Materials ID,Formula,l,Atomic sites per cell,Crystal system,Space group [Number],Formation energy (eV/atom),Energy relative to convex hull (eV/atom),Structure search,Averaged magnetic moment (μB/atom),"Magnetic polarization, Js (T)",Magnetic easy axis,"Magnetic anisotropy constants: Ka-c, Kb-c, Kb-a, Kd-a (MJ/m3)","Magnetic anisotropy constants: Ka-c, Kb-c, Kb-a, Kd-a (MJ/m3).1","Magnetic anisotropy constants: Ka-c, Kb-c, Kb-a, Kd-a (MJ/m3).2","Magnetic anisotropy constants: Ka-c, Kb-c, Kb-a, Kd-a (MJ/m3).3","Curie temperature, TC (K)",Methods,References
MMD-1,Fe,2,2,cubic,Im-3m [229],0,0 (stable),bcc Fe,2.23,2.18,a,0,0,0,0.01,953.2,DFT,mp-13
MMD-2,Co,2,2,hexagonal,P6_3/mmc [194],0,0 (stable),hcp Co,1.61,1.72,c,0.22,0.22,0,.,1474.2,DFT,mp-54
MMD-3,Ni,4,4,cubic,Fm-3m [225],0,0 (stable),fcc Ni,0.65,0.68,a,0,0,0,0,401.8,DFT,mp-23
MMD-4,FeCo5N2,2,16,monoclinic,C2 [5],0.04,0.073,AGA search,0.8,0.95,b,-0.29,-0.34,-0.05,.,.,DFT,DOI link
MMD-5,FeCo5N2,2,16,orthorhombic,Amm2 [38],0.063,0.096,AGA search,1.06,1.25,c,0.63,1.35,0.71,.,.,DFT,DOI link
MMD-6,FeCo5N2,2,16,orthorhombic,Cmmm [65],0.066,0.099,AGA search,1.07,1.26,c,0.68,-0.96,-1.64,.,.,DFT,DOI link
MMD-7,FeCo2N,4,16,orthorhombic,C222_1 [20],0.016,0.083,AGA search,0.99,1.17,a,-1.63,-0.46,1.17,.,.,DFT,DOI link
MMD-8,FeCo2N,4,16,monoclinic,Cc [9],0.018,0.084,AGA search,0.92,1.09,b,-0.83,-0.98,-0.15,.,.,DFT,DOI link
MMD-9,FeCo2N,4,16,orthorhombic,Amm2 [38],0.04,0.107,AGA search,1.14,1.33,c,1.64,2.17,0.53,.,.,DFT,DOI link
MMD-10,Fe3Co3N2,1,8,triclinic,P1 [1],-0.005,0.079,AGA search,1.06,1.25,.,.,.,.,.,.,DFT,DOI link
MMD-11,Fe3Co3N2,2,16,orthorhombic,Amm2 [38],0.009,0.093,AGA search,1.2,1.4,c,2.16,2.02,-0.15,.,.,DFT,DOI link
MMD-12,Fe3Co3N2,2,16,orthorhombic,Amm2 [38],0.012,0.096,AGA search,1.37,1.59,c,2.21,2.14,-0.08,.,.,DFT,DOI link
MMD-13,Fe2CoN,4,16,monoclinic,C2 [5],-0.028,0.073,AGA search,1.28,1.5,a,-1.36,-1.3,0.06,.,.,DFT,DOI link
MMD-14,Fe2CoN,4,16,orthorhombic,Cmcm [63],-0.009,0.092,AGA search,1.5,1.72,b,1.01,-1.8,-2.81,.,.,DFT,DOI link
MMD-15,Fe2CoN,4,16,orthorhombic,Amm2 [38],-0.002,0.099,AGA search,1.4,1.62,c,2.02,2.02,0,.,.,DFT,DOI link
MMD-16,Fe5CoN2,2,16,monoclinic,C2 [5],-0.047,0.045,AGA search,1.42,1.65,a,-1.08,-0.48,0.6,.,.,DFT,DOI link
MMD-17,Fe5CoN2,2,16,orthorhombic,Amm2 [38],-0.015,0.077,AGA search,1.49,1.73,c,1.47,2.56,1.09,.,.,DFT,DOI link
MMD-18,Fe5CoN2,2,16,orthorhombic,Cmmm [65],-0.008,0.084,AGA search,1.55,1.77,a,-1.37,-0.3,1.07,.,.,DFT,DOI link
MMD-19,FeCo7N2,1,10,tetragonal,P4/mmm [123],0.035,0.062,AGA search,1.37,1.54,ab plane,-0.4,.,.,.,.,DFT,DOI link
MMD-20,FeCo7N2,2,20,tetragonal,I4/mmm [139],0.043,0.069,AGA search,1.37,1.55,c,1.62,.,.,.,.,DFT,DOI link
MMD-21,FeCo3N,1,5,cubic,Pm-3m [221],-0.004,0.049,AGA search,1.48,1.66,a,.,.,.,0,.,DFT,DOI link
MMD-22,FeCo3N,4,20,tetragonal,I4mm [107],0.011,0.064,AGA search,1.47,1.65,c,1.27,.,.,.,.,DFT,DOI link
MMD-23,Fe3Co5N2,1,10,orthorhombic,Pmmm [47],-0.024,0.043,AGA search,1.55,1.73,a,-0.07,-0.07,0.01,.,.,DFT,DOI link
MMD-24,Fe3Co5N2,2,20,tetragonal,I4/mmm [139],-0.011,0.056,AGA search,1.55,1.73,c,0.94,.,.,.,.,DFT,DOI link
MMD-25,Fe3Co5N2,2,20,tetragonal,I-4m2 [119],0.002,0.068,AGA search,1.51,1.7,c,1.58,.,.,.,.,DFT,DOI link
MMD-26,Fe2Co2N,1,5,tetragonal,P4/mmm [123],-0.04,0.041,AGA search,1.6,1.78,ab plane,-0.31,.,.,.,.,DFT,DOI link
MMD-27,Fe2Co2N,4,20,orthorhombic,Imm2 [44],-0.019,0.062,AGA search,1.58,1.77,c,0.92,0.85,-0.07,.,.,DFT,DOI link
MMD-28,Fe5Co3N2,1,10,orthorhombic,Pmmm [47],-0.038,0.056,AGA search,1.65,1.82,a,-0.62,-0.75,-0.13,.,.,DFT,DOI link
MMD-29,Fe5Co3N2,2,20,tetragonal,I4/mmm [139],-0.025,0.069,AGA search,1.68,1.86,c,2.01,.,.,.,.,DFT,DOI link
MMD-30,Fe3CoN,2,10,orthorhombic,Pmm2 [25],-0.036,0.054,AGA search,1.76,1.92,c,0.23,-0.46,-0.68,.,.,DFT,DOI link
MMD-31,Fe3CoN,4,20,tetragonal,I4mm [107],-0.033,0.057,AGA search,1.73,1.91,c,0.96,.,.,.,.,DFT,DOI link
MMD-32,Fe7CoN2,1,10,tetragonal,P4/mmm [123],-0.037,0.037,AGA search,1.87,2.01,c,0.85,.,.,.,.,DFT,DOI link
MMD-33,Fe7CoN2,2,20,tetragonal,I4mm [107],-0.032,0.042,AGA search,1.83,2,c,0.88,.,.,.,.,DFT,DOI link
MMD-34,FeCo4N,4,24,orthorhombic,Amm2 [38],0.014,0.058,AGA search,1.41,1.57,c,1.09,0.92,-0.17,.,.,DFT,DOI link
MMD-35,FeCo4N,4,24,orthorhombic,Amm2 [38],0.025,0.07,AGA search,1.39,1.56,c,0.99,1.02,0.03,.,.,DFT,DOI link
MMD-36,FeCo4N,2,12,tetragonal,I4/m [87],0.028,0.072,AGA search,1.28,1.46,ab plane,-1.89,.,.,.,.,DFT,DOI link
MMD-37,Fe2Co3N,4,24,orthorhombic,Amm2 [38],-0.012,0.055,AGA search,1.52,1.68,c,1.4,1.24,-0.16,.,.,DFT,DOI link
MMD-38,Fe2Co3N,4,24,orthorhombic,Amm2 [38],-0.01,0.057,AGA search,1.52,1.68,c,1.31,1.47,0.15,.,.,DFT,DOI link
MMD-39,Fe2Co3N,4,24,orthorhombic,Amm2 [38],-0.009,0.058,AGA search,1.51,1.67,c,1.39,1.89,0.49,.,.,DFT,DOI link
MMD-40,Fe2Co3N,4,24,orthorhombic,Amm2 [38],-0.009,0.058,AGA search,1.53,1.68,c,1.18,1.48,0.3,.,.,DFT,DOI link
MMD-41,Fe2Co3N,4,24,orthorhombic,Amm2 [38],-0.008,0.059,AGA search,1.51,1.67,c,1.39,1.67,0.28,.,.,DFT,DOI link
MMD-42,Fe3Co2N,4,24,orthorhombic,Amm2 [38],-0.018,0.071,AGA search,1.57,1.74,c,0.9,1.09,0.18,.,.,DFT,DOI link
MMD-43,Fe3Co2N,4,24,orthorhombic,Amm2 [38],-0.014,0.076,AGA search,1.61,1.78,c,1.65,1.48,-0.17,.,.,DFT,DOI link
MMD-44,Fe3Co2N,4,24,orthorhombic,Amm2 [38],-0.014,0.076,AGA search,1.6,1.77,c,0.88,1.05,0.17,.,.,DFT,DOI link
MMD-45,Fe4CoN,4,24,orthorhombic,Amm2 [38],-0.018,0.06,AGA search,1.85,1.99,c,1.12,1.15,0.04,.,.,DFT,DOI link
MMD-46,Fe4CoN,2,12,orthorhombic,Amm2 [38],-0.014,0.064,AGA search,1.83,1.98,c,0.89,0.88,-0.01,.,.,DFT,DOI link
MMD-47,Fe4CoN,4,24,orthorhombic,Amm2 [38],-0.013,0.065,AGA search,1.83,1.97,c,1.47,1.4,-0.07,.,.,DFT,DOI link
MMD-48,FeCo5N,2,14,tetragonal,P4mm [99],0.015,0.053,AGA search,1.49,1.64,c,0.53,.,.,.,.,DFT,DOI link
MMD-49,FeCo5N,2,14,tetragonal,P4/mmm [123],0.022,0.06,AGA search,1.47,1.63,ab plane,-0.01,.,.,.,.,DFT,DOI link
MMD-50,FeCo5N,2,14,tetragonal,P4mm [99],0.024,0.062,AGA search,1.46,1.61,ab plane,-0.43,.,.,.,.,DFT,DOI link
MMD-51,Fe2Co4N,2,14,tetragonal,P4/mmm [123],-0.017,0.041,AGA search,1.57,1.72,c,0.54,.,.,.,.,DFT,DOI link
MMD-52,Fe2Co4N,2,14,orthorhombic,Pmm2 [25],-0.012,0.046,AGA search,1.56,1.71,c,0.9,0.97,0.07,.,.,DFT,DOI link
MMD-53,Fe3Co3N,2,14,orthorhombic,Pmmm [47],-0.019,0.058,AGA search,1.59,1.74,c,0.7,0.71,0.01,.,.,DFT,DOI link
MMD-54,Fe3Co3N,2,14,orthorhombic,Pmm2 [25],-0.018,0.059,AGA search,1.6,1.76,c,0.88,1.08,0.2,.,.,DFT,DOI link
MMD-55,Fe3Co3N,2,14,tetragonal,P4/mmm [123],-0.011,0.066,AGA search,1.72,1.86,c,1.37,.,.,.,.,DFT,DOI link
MMD-56,Fe4Co2N,2,14,tetragonal,P4mm [99],-0.019,0.066,AGA search,1.83,1.97,c,1.57,.,.,.,.,DFT,DOI link
MMD-57,Fe4Co2N,2,14,tetragonal,P4/mmm [123],-0.02,0.065,AGA search,1.89,2.02,c,1.82,.,.,.,.,DFT,DOI link
MMD-58,Fe5CoN,2,14,tetragonal,P4/mmm [123],-0.022,0.045,AGA search,1.98,2.11,c,0.67,.,.,.,.,DFT,DOI link
MMD-59,Fe5CoN,2,14,tetragonal,P4/mmm [123],-0.015,0.052,AGA search,1.99,2.12,c,1.43,.,.,.,.,DFT,DOI link
MMD-60,Fe5CoN,2,14,tetragonal,P4mm [99],-0.01,0.057,AGA search,1.92,2.05,c,1.52,.,.,.,.,DFT,DOI link
MMD-61,FeCo6N,4,32,orthorhombic,Amm2 [38],0.019,0.052,AGA search,1.49,1.65,c,0.18,0.23,0.05,.,.,DFT,DOI link
MMD-62,FeCo6N,4,32,orthorhombic,Cmmm [65],0.021,0.055,AGA search,1.48,1.63,c,0.51,-0.02,-0.53,.,.,DFT,DOI link
MMD-63,Fe2Co5N,4,32,orthorhombic,Cmmm [65],-0.007,0.044,AGA search,1.59,1.74,c,0.08,-0.19,-0.27,.,.,DFT,DOI link
MMD-64,Fe2Co5N,4,32,orthorhombic,Amm2 [38],0.004,0.054,AGA search,1.58,1.73,c,1.56,1.73,0.17,.,.,DFT,DOI link
MMD-65,Fe3Co4N,4,32,orthorhombic,Amm2 [38],-0.007,0.06,AGA search,1.61,1.75,c,0.35,0.47,0.13,.,.,DFT,DOI link
MMD-66,Fe3Co4N,4,32,orthorhombic,Amm2 [38],-0.007,0.061,AGA search,1.65,1.79,c,1.35,1.39,0.04,.,.,DFT,DOI link
MMD-67,Fe3Co4N,4,32,orthorhombic,Amm2 [38],-0.005,0.062,AGA search,1.63,1.78,c,1.89,1.78,-0.11,.,.,DFT,DOI link
MMD-68,Fe3Co4N,4,32,orthorhombic,Amm2 [38],-0.007,0.06,AGA search,1.7,1.84,c,1.84,1.79,-0.06,.,.,DFT,DOI link
MMD-69,Fe4Co3N,4,32,orthorhombic,Amm2 [38],-0.018,0.067,AGA search,1.84,1.99,c,1.61,1.56,-0.05,.,.,DFT,DOI link
MMD-70,Fe4Co3N,2,16,orthorhombic,Amm2 [38],-0.017,0.067,AGA search,1.8,1.94,c,1.51,1.52,0.01,.,.,DFT,DOI link
MMD-71,Fe4Co3N,4,32,orthorhombic,Amm2 [38],-0.016,0.068,AGA search,1.82,1.96,c,1.49,1.5,0.01,.,.,DFT,DOI link
MMD-72,Fe4Co3N,4,32,orthorhombic,Amm2 [38],-0.014,0.07,AGA search,1.82,1.96,c,1.74,1.72,-0.02,.,.,DFT,DOI link
MMD-73,Fe5Co2N,4,32,orthorhombic,Amm2 [38],-0.024,0.056,AGA search,1.95,2.09,c,0.83,0.78,-0.05,.,.,DFT,DOI link
MMD-74,Fe5Co2N,2,16,orthorhombic,Amm2 [38],-0.023,0.056,AGA search,1.96,2.08,c,1.22,1.13,-0.09,.,.,DFT,DOI link
MMD-75,Fe5Co2N,4,32,orthorhombic,Amm2 [38],-0.02,0.06,AGA search,1.91,2.05,c,1.46,1.4,-0.06,.,.,DFT,DOI link
MMD-76,Fe6CoN,4,32,orthorhombic,Amm2 [38],-0.024,0.036,AGA search,2.04,2.17,c,0.23,0.11,-0.12,.,.,DFT,DOI link
MMD-77,Fe6CoN,4,32,orthorhombic,Amm2 [38],-0.018,0.041,AGA search,1.98,2.12,c,0.73,0.63,-0.09,.,.,DFT,DOI link
MMD-78,Fe6CoN,4,32,orthorhombic,Amm2 [38],-0.017,0.043,AGA search,1.98,2.1,c,1.12,1.13,0.01,.,.,DFT,DOI link
MMD-79,FeCo7N,2,18,tetragonal,P4/nmm [129],0.008,0.037,AGA search,1.37,1.53,ab plane,-0.17,.,.,.,.,DFT,DOI link
MMD-80,FeCo7N,4,36,cubic,F-43m [216],0.008,0.038,AGA search,1.37,1.53,<111>,.,.,.,-0.01,.,DFT,DOI link
MMD-81,FeCo7N,2,18,orthorhombic,Cmmm [65],0.02,0.049,AGA search,1.4,1.55,a,-0.82,-0.8,0.02,.,.,DFT,DOI link
MMD-82,Fe2Co6N,4,36,cubic,Fm-3m [225],-0.028,0.017,AGA search,1.41,1.57,<111>,.,.,.,0,.,DFT,DOI link
MMD-83,Fe2Co6N,1,9,tetragonal,P4/mmm [123],-0.008,0.036,AGA search,1.51,1.66,c,1.02,.,.,.,.,DFT,DOI link
MMD-84,Fe3Co5N,2,18,tetragonal,I4mm [107],-0.015,0.045,AGA search,1.41,1.57,c,0.36,.,.,.,.,DFT,DOI link
MMD-85,Fe3Co5N,1,9,orthorhombic,Pmmm [47],-0.012,0.048,AGA search,1.56,1.7,c,0.01,-1.12,-1.13,.,.,DFT,DOI link
MMD-86,Fe4Co4N,1,9,tetragonal,P4/mmm [123],-0.019,0.056,AGA search,1.84,1.97,c,1.64,.,.,.,.,DFT,DOI link
MMD-87,Fe4Co4N,1,9,tetragonal,P4/mmm [123],-0.014,0.061,AGA search,1.86,2,c,1.1,.,.,.,.,DFT,DOI link
MMD-88,Fe4Co4N,1,9,tetragonal,P4/mmm [123],-0.01,0.065,AGA search,1.65,1.78,c,1.32,.,.,.,.,DFT,DOI link
MMD-89,Fe5Co3N,2,18,tetragonal,I-4m2 [119],-0.02,0.063,AGA search,1.91,2.03,c,1.09,.,.,.,.,DFT,DOI link
MMD-90,Fe5Co3N,1,9,tetragonal,P4mm [99],-0.017,0.065,AGA search,1.93,2.05,c,1.46,.,.,.,.,DFT,DOI link
MMD-91,Fe5Co3N,2,18,tetragonal,P4/nmm [129],-0.015,0.067,AGA search,1.88,2.01,c,1.98,.,.,.,.,DFT,DOI link
MMD-92,Fe5Co3N,2,18,tetragonal,P4/mmm [123],-0.014,0.069,AGA search,1.88,2.01,c,2.08,.,.,.,.,DFT,DOI link
MMD-93,Fe6Co2N,2,18,tetragonal,I4/mmm [139],-0.023,0.051,AGA search,1.96,2.07,c,0.79,.,.,.,.,DFT,DOI link
MMD-94,Fe6Co2N,1,9,tetragonal,P4/mmm [123],-0.023,0.051,AGA search,2.04,2.15,c,0.24,.,.,.,.,DFT,DOI link
MMD-95,Fe6Co2N,2,18,orthorhombic,Pmmm [47],-0.017,0.056,AGA search,1.96,2.08,c,1.58,1.62,0.04,.,.,DFT,DOI link
MMD-96,Fe6Co2N,2,18,orthorhombic,Pmm2 [25],-0.016,0.057,AGA search,1.96,2.08,c,2,1.98,-0.02,.,.,DFT,DOI link
MMD-97,Fe6Co2N,2,18,tetragonal,I4/mmm [139],-0.016,0.057,AGA search,1.97,2.08,c,2.71,.,.,.,.,DFT,DOI link
MMD-98,Fe7CoN,2,18,tetragonal,P4/nmm [129],-0.024,0.029,AGA search,2.01,2.11,c,1.17,.,.,.,.,DFT,DOI link
MMD-99,Fe7CoN,2,18,tetragonal,I-4m2 [119],-0.022,0.031,AGA search,2.06,2.16,c,1.51,.,.,.,.,DFT,DOI link
MMD-100,Fe7CoN,2,18,tetragonal,I4mm [107],-0.02,0.033,AGA search,2.02,2.12,c,1.35,.,.,.,.,DFT,DOI link
MMD-101,CoN,4,8,cubic,F-43m [216],0.085,0.085,AGA search,0,0,.,.,.,.,.,.,DFT,DOI link
MMD-102,CoN,2,4,hexagonal,P6_3mc [186],0.144,0.144,AGA search,0,0,.,.,.,.,.,.,DFT,DOI link
MMD-103,Co2N,2,6,orthorhombic,Pnnm [58],0.064,0.064,AGA search,0,0,.,.,.,.,.,.,DFT,DOI link
MMD-104,Co2N,4,12,orthorhombic,Cmcm [63],0.098,0.098,AGA search,0.34,0.4,a,-1.11,-0.14,0.96,.,.,DFT,DOI link
MMD-105,Co2N,2,6,triclinic,P1 [1],0.113,0.113,AGA search,0.14,0.18,.,.,.,.,.,.,DFT,DOI link
MMD-106,Co2N,2,6,triclinic,P1 [1],0.122,0.122,AGA search,0.18,0.23,.,.,.,.,.,.,DFT,DOI link
MMD-107,Co2N,2,6,orthorhombic,Pmn2_1 [31],0.147,0.147,AGA search,0.32,0.42,c,0.21,0.38,0.17,.,.,DFT,DOI link
MMD-108,Co2N,2,6,orthorhombic,Pmma [51],0.149,0.149,AGA search,0.52,0.65,b,0.03,-0.41,-0.43,.,.,DFT,DOI link
MMD-109,Co3N,6,24,trigonal,R-3c [167],0.068,0.068,AGA search,0.67,0.81,c,0.86,.,.,.,.,DFT,DOI link
MMD-110,Co3N,2,8,hexagonal,P6_322 [182],0.069,0.069,AGA search,0.72,0.87,c,0.12,.,.,.,.,DFT,DOI link
MMD-111,Co3N,4,16,orthorhombic,Cmcm [63],0.097,0.097,AGA search,0.59,0.69,b,-0.89,-1.47,-0.58,.,.,DFT,DOI link
MMD-112,Co3N,4,16,orthorhombic,Cmcm [63],0.109,0.109,AGA search,1.01,1.19,b,-0.18,-1.78,-1.6,.,.,DFT,DOI link
MMD-113,Co3N,4,16,orthorhombic,Cmmm [65],0.109,0.109,AGA search,1.03,1.21,c,0.91,0.04,-0.87,.,.,DFT,DOI link
MMD-114,Co3N,4,16,monoclinic,Cm [8],0.124,0.124,AGA search,0.6,0.72,.,.,.,.,.,.,DFT,DOI link
MMD-115,Co3N,4,16,orthorhombic,Cmcm [63],0.127,0.127,AGA search,0.72,0.83,b,0.01,-0.75,-0.76,.,.,DFT,DOI link
MMD-116,Co3N,2,8,orthorhombic,Immm [71],0.135,0.135,AGA search,0.8,0.97,c,0.45,2.19,1.74,.,.,DFT,DOI link
MMD-117,Co4N,2,10,monoclinic,P2_1/c [14],0.068,0.068,AGA search,0.93,1.09,a,-1.22,-0.68,0.54,.,.,DFT,DOI link
MMD-118,Co4N,4,20,monoclinic,C2 [5],0.072,0.072,AGA search,0.9,1.06,b,0.09,-0.12,-0.22,.,.,DFT,DOI link
MMD-119,Co4N,2,10,orthorhombic,P2_12_12 [18],0.078,0.078,AGA search,0.96,1.12,b,-0.1,-0.28,-0.18,.,.,DFT,DOI link
MMD-120,Co4N,1,5,cubic,Pm-3m [221],0.075,0.075,AGA search,1.26,1.43,<111>,.,.,.,0,.,DFT,DOI link
MMD-121,Co4N,2,10,orthorhombic,Pmna [53],0.08,0.08,AGA search,0.97,1.14,b,0.1,-1.24,-1.34,.,.,DFT,DOI link
MMD-122,Co4N,4,20,tetragonal,I4/mmm [139],0.079,0.079,AGA search,1.26,1.43,c,2.1,.,.,.,.,DFT,DOI link
MMD-123,Co4N,4,20,orthorhombic,Cmcm [63],0.079,0.079,AGA search,0.81,0.93,b,-0.01,-0.75,-0.74,.,.,DFT,DOI link
MMD-124,Co4N,2,10,tetragonal,I4/mmm [139],0.088,0.088,AGA search,1.23,1.4,c,3.11,.,.,.,.,DFT,DOI link
MMD-125,Co4N,2,10,orthorhombic,Pmma [51],0.088,0.088,AGA search,1.06,1.23,b,-0.19,-0.44,-0.25,.,.,DFT,DOI link
MMD-126,Co5N,2,12,tetragonal,I4/m [87],0.063,0.063,AGA search,1.14,1.3,ab plane,-2.43,.,.,.,.,DFT,DOI link
MMD-127,Co5N,4,24,orthorhombic,Cmcm [63],0.063,0.063,AGA search,1.25,1.41,b,0.04,-0.97,-1.01,.,.,DFT,DOI link
MMD-128,Co5N,4,24,orthorhombic,Cmmm [65],0.063,0.063,AGA search,1.26,1.42,a,-0.51,-0.26,0.24,.,.,DFT,DOI link
MMD-129,Co5N,4,24,monoclinic,C2 [5],0.069,0.069,AGA search,1.08,1.24,b,0.49,-0.06,-0.55,.,.,DFT,DOI link
MMD-130,Co5N,4,24,monoclinic,C2/c [15],0.071,0.071,AGA search,1.18,1.35,c,0.29,1.33,1.04,.,.,DFT,DOI link
MMD-131,Co5N,4,24,orthorhombic,Cmcm [63],0.08,0.08,AGA search,1.17,1.34,c,0.04,0.62,0.57,.,.,DFT,DOI link
MMD-132,Co5N,4,24,orthorhombic,C222_1 [20],0.082,0.082,AGA search,1.08,1.24,c,0.08,0.04,-0.04,.,.,DFT,DOI link
MMD-133,Co6N,2,14,monoclinic,C2/m [12],0.062,0.062,AGA search,1.15,1.32,a,-0.24,0.68,0.92,.,.,DFT,DOI link
MMD-134,Co6N,2,14,tetragonal,P4/mmm [123],0.062,0.062,AGA search,1.35,1.51,c,0.54,.,.,.,.,DFT,DOI link
MMD-135,Co6N,2,14,triclinic,P-1 [2],0.065,0.065,AGA search,1.28,1.45,.,.,.,.,.,.,DFT,DOI link
MMD-136,Co6N,4,28,orthorhombic,Cmme [67],0.066,0.066,AGA search,1.2,1.37,b,-0.36,-2.08,-1.72,.,.,DFT,DOI link
MMD-137,Co6N,4,28,orthorhombic,Imma [74],0.073,0.073,AGA search,1.22,1.38,b,-0.87,-0.9,-0.03,.,.,DFT,DOI link
MMD-138,Co6N,3,21,trigonal,R-3 [148],0.078,0.078,AGA search,1.2,1.37,ab plane,-0.29,.,.,.,.,DFT,DOI link
MMD-139,Co6N,2,14,orthorhombic,Pnnm [58],0.081,0.081,AGA search,1.21,1.37,b,-0.06,-0.68,-0.62,.,.,DFT,DOI link
MMD-140,Co6N,1,7,trigonal,P-31m [162],0.082,0.082,AGA search,1.24,1.41,c,0.54,.,.,.,.,DFT,DOI link
MMD-141,Co7N,2,16,triclinic,P-1 [2],0.051,0.051,AGA search,1.19,1.36,.,.,.,.,.,.,DFT,DOI link
MMD-142,Co7N,4,32,monoclinic,C2/c [15],0.057,0.057,AGA search,1.19,1.35,c,0.15,0.79,0.63,.,.,DFT,DOI link
MMD-143,Co7N,4,32,orthorhombic,Cmmm [65],0.057,0.057,AGA search,1.38,1.53,c,0.18,0.02,-0.16,.,.,DFT,DOI link
MMD-144,Co7N,4,32,orthorhombic,Cmcm [63],0.058,0.058,AGA search,1.36,1.51,b,0.02,-0.38,-0.39,.,.,DFT,DOI link
MMD-145,Co7N,4,32,orthorhombic,Cmcm [63],0.069,0.069,AGA search,1.28,1.44,c,0.11,0.61,0.51,.,.,DFT,DOI link
MMD-146,Co8N,4,36,cubic,Fm-3m [225],0.039,0.039,AGA search,1.29,1.45,a,.,.,.,0,.,DFT,DOI link
MMD-147,Co8N,2,18,monoclinic,C2/m [12],0.041,0.041,AGA search,1.23,1.39,a,-0.54,-0.36,0.17,.,.,DFT,DOI link
MMD-148,Co8N,2,18,monoclinic,C2/m [12],0.041,0.041,AGA search,1.35,1.51,b,0.02,-0.07,-0.09,.,.,DFT,DOI link
MMD-149,Co8N,2,18,orthorhombic,Cmmm [65],0.043,0.043,AGA search,1.3,1.45,b,-0.98,-1.5,-0.52,.,.,DFT,DOI link
MMD-150,Co8N,2,18,orthorhombic,P2_12_12 [18],0.044,0.044,AGA search,1.22,1.38,a,-0.19,-0.06,0.14,.,.,DFT,DOI link
MMD-151,Fe3Ni3B2,2,16,orthorhombic,Amm2 [38],0.019,.,AGA search,0.63,0.76,c,0.62,0.51,-0.1,.,.,DFT,MS
MMD-152,Fe2NiB,4,16,orthorhombic,Cmcm [63],0.124,.,AGA search,0.94,1.12,b,0.78,-0.35,-1.13,.,.,DFT,MS
MMD-153,Fe4NiB,2,12,tetragonal,I4/m [87],0.149,.,AGA search,1.39,1.63,c,1.19,.,.,.,.,DFT,MS
MMD-154,Fe4Ni4B,1,9,tetragonal,P4/mmm [123],0.079,.,AGA search,1.32,1.46,c,1.22,.,.,.,.,DFT,MS
MMD-155,Fe4Ni2B,2,14,tetragonal,P4/mmm [123],0.158,.,AGA search,1.08,1.21,c,1.45,.,.,.,.,DFT,MS
MMD-156,Fe5NiB,2,14,tetragonal,P4/mmm [123],0.199,.,AGA search,1.35,1.54,c,0.85,.,.,.,.,DFT,MS
MMD-157,Fe2Ni2B,2,10,tetragonal,I4/mmm [139],0.078,.,AGA search,1.03,1.17,c,1.93,.,.,.,.,DFT,MS
MMD-158,Fe2Ni2B,4,20,tetragonal,I4/mmm [139],0.006,.,AGA search,0.93,1.11,c,1.27,.,.,.,.,DFT,MS
MMD-159,Fe3NiB,4,20,tetragonal,I4/mmm [139],0.172,.,AGA search,1.27,1.45,ab plane,-1.49,.,.,.,.,DFT,MS
MMD-160,Fe5Ni3B2,2,20,tetragonal,I4/mmm [139],0.045,.,AGA search,0.87,1.04,c,1.11,.,.,.,.,DFT,MS
MMD-161,YCo5,6,36,trigonal,R32 [155],0.007,0.129,AGA search,1.15,1,c,1.35,.,.,.,.,DFT,DOI link
MMD-162,YCo5,6,36,trigonal,R3m [160],-0.064,0.058,AGA search,1.19,1.02,c,0.62,.,.,.,.,DFT,DOI link
MMD-163,YCo5,4,24,hexagonal,P6_322 [182],0.006,0.128,AGA search,1.15,1,c,1.34,.,.,.,.,DFT,DOI link
MMD-164,YCo5,4,24,hexagonal,P-62c [190],0.006,0.128,AGA search,1.15,1,c,1.47,.,.,.,.,DFT,DOI link
MMD-165,YCo5,1,6,hexagonal,P6/mmm [191],-0.107,0.015,confirmed,1.2,1.01,c,2.68,.,.,.,.,DFT,DOI link
MMD-166,ZrCo5,6,36,trigonal,R32 [155],-0.123,0.068,AGA search,1,0.94,c,1.31,.,.,.,.,DFT,DOI link
MMD-167,ZrCo5,6,36,trigonal,R3m [160],-0.135,0.055,AGA search,1.05,0.96,c,0.07,.,.,.,.,DFT,DOI link
MMD-168,ZrCo5,4,24,hexagonal,P6_322 [182],-0.128,0.063,AGA search,1.01,0.94,c,1.05,.,.,.,.,DFT,DOI link
MMD-169,ZrCo5,4,24,hexagonal,P-62c [190],-0.128,0.063,AGA search,1.01,0.94,c,1.24,.,.,.,.,DFT,DOI link
MMD-170,ZrCo5,1,6,hexagonal,P6/mmm [191],-0.131,0.06,AGA search,1.08,0.97,c,1.01,.,.,.,.,DFT,DOI link
MMD-171,Fe8N,1,9,tetragonal,P4/mmm [123],0.07,0.1,AGA search,1.99,2.18,c,0.11,.,.,.,.,DFT,MS
MMD-172,Fe8N,4,36,cubic,Fm-3m [225],0.061,0.091,AGA search,1.96,2.07,a,.,.,.,0.01,.,DFT,MS
MMD-173,Fe8N,4,36,cubic,Fm-3m [225],0.078,0.109,AGA search,0.51,0.61,.,.,.,.,.,.,DFT,MS
MMD-174,Fe8N,2,18,tetragonal,I4/mmm [139],-0.03,0,AGA search,2.11,2.21,c,0.8,.,.,.,.,DFT,MS
MMD-175,Fe3N,2,8,hexagonal,P6_322 [182],-0.068,0,AGA search,1.53,1.77,ab plane,-0.39,.,.,.,.,DFT,MS
MMD-176,Fe4N,1,5,cubic,Pm-3m [221],-0.037,0.017,AGA search,1.98,2.12,a,.,.,.,0,.,DFT,MS
MMD-177,Fe5N,4,24,orthorhombic,Cmcm [63],-0.013,0.032,AGA search,1.91,2.07,c,0.18,0.39,0.21,.,.,DFT,MS
MMD-178,Fe5N,4,24,orthorhombic,Cmmm [65],-0.013,0.032,AGA search,1.92,2.06,a,-0.58,-0.74,-0.16,.,.,DFT,MS
MMD-179,Fe6N,2,14,monoclinic,C2/m [12],-0.005,0.034,AGA search,1.95,2.09,c,0.35,0.87,0.52,.,.,DFT,MS
MMD-180,Fe6N,4,28,orthorhombic,Imma [74],-0.004,0.035,AGA search,1.88,2.04,c,0.45,0.73,0.28,.,.,DFT,MS
MMD-181,Fe7N,4,32,orthorhombic,Cmcm [63],-0.013,0.021,AGA search,1.99,2.13,a,-0.01,0.2,0.22,.,.,DFT,MS
MMD-182,Fe7N,4,32,orthorhombic,Cmmm [65],-0.011,0.023,AGA search,2,2.12,a,-0.36,-0.02,0.34,.,.,DFT,MS
MMD-183,Fe8N,1,9,tetragonal,P4/mmm [123],0.011,0.041,AGA search,1.86,2.01,ab plane,-0.25,.,.,.,.,DFT,MS
MMD-184,Fe8N,1,9,tetragonal,P4/mmm [123],0.011,0.041,AGA search,1.86,2,c,0.23,0.02,-0.21,.,.,DFT,MS
MMD-185,Fe8N,1,9,tetragonal,P4/mmm [123],0.02,0.05,AGA search,2,2.17,c,0.48,.,.,.,.,DFT,MS
MMD-186,Fe5N,4,24,orthorhombic,Cmmm [65],-0.013,0.032,AGA search,1.92,2.06,a,-0.59,-0.75,-0.16,.,.,DFT,MS
MMD-187,Fe5N,4,24,orthorhombic,Cmcm [63],-0.013,0.032,AGA search,1.91,2.07,c,0.18,0.39,0.21,.,.,DFT,MS
MMD-188,Fe3Ge,4,16,orthorhombic,Cmcm [63],-0.025,0.077,AGA search,1.55,1.49,a,-0.09,0.32,0.41,.,.,DFT,MS
MMD-189,Fe3Ge,2,8,hexagonal,P6_3/mmc [194],-0.093,0.009,AGA search,1.6,1.55,ab plane,-0.31,.,.,.,.,DFT,MS
MMD-190,Fe3Ge,1,4,cubic,Pm-3m [221],-0.097,0.004,AGA search,1.6,1.55,<111>,.,.,.,0,.,DFT,MS
MMD-191,Fe3Ge,4,16,cubic,Fm-3m [225],-0.102,0,AGA search,1.36,1.36,a,.,.,.,0,.,DFT,MS
MMD-192,CoN,4,8,cubic,F-43m [216],0.086,0.086,AGA search,0,0,.,.,.,.,.,.,DFT,MS
MMD-193,CoN,4,8,cubic,F-43m [216],0.086,0.086,AGA search,0,0,.,.,.,.,.,.,DFT,MS
MMD-194,CoN,4,8,cubic,F-43m [216],0.086,0.086,AGA search,0,0,.,.,.,.,.,.,DFT,MS
MMD-195,CoN,4,8,cubic,F-43m [216],0.085,0.085,AGA search,0,0,.,.,.,.,.,.,DFT,MS
MMD-196,CoN,4,8,cubic,F-43m [216],0.086,0.086,AGA search,0,0,.,.,.,.,.,.,DFT,MS
MMD-197,CoN,2,4,cubic,F-43m [216],0.086,0.086,AGA search,0,0,.,.,.,.,.,.,DFT,MS
MMD-198,CoN,2,4,cubic,F-43m [216],0.086,0.086,AGA search,0,0,.,.,.,.,.,.,DFT,MS
MMD-199,CoN,4,8,cubic,F-43m [216],0.087,0.087,AGA search,0,0,.,.,.,.,.,.,DFT,MS
MMD-200,CoN,2,4,tetragonal,I-4m2 [119],0.093,0.093,AGA search,0,0,.,.,.,.,.,.,DFT,MS
MMD-201,Co2N,2,6,orthorhombic,Pnnm [58],0.064,0.064,AGA search,0,0,.,.,.,.,.,.,DFT,MS
MMD-202,Co2N,2,6,orthorhombic,Pnnm [58],0.064,0.064,AGA search,0,0,.,.,.,.,.,.,DFT,MS
MMD-203,Co2N,2,6,orthorhombic,Pnnm [58],0.064,0.064,AGA search,0,0,.,.,.,.,.,.,DFT,MS
MMD-204,Co2N,2,6,orthorhombic,Pnnm [58],0.064,0.064,AGA search,0,0,.,.,.,.,.,.,DFT,MS
MMD-205,Co2N,2,6,orthorhombic,Pnnm [58],0.064,0.064,AGA search,0,0,.,.,.,.,.,.,DFT,MS
MMD-206,Co2N,2,6,orthorhombic,Pnnm [58],0.064,0.064,AGA search,0,0,.,.,.,.,.,.,DFT,MS
MMD-207,Co2N,2,6,orthorhombic,Pnnm [58],0.065,0.065,AGA search,0,0,.,.,.,.,.,.,DFT,MS
MMD-208,Co2N,2,6,orthorhombic,Pnnm [58],0.064,0.064,AGA search,0,0,.,.,.,.,.,.,DFT,MS
MMD-209,Co2N,2,6,orthorhombic,Pnnm [58],0.064,0.064,AGA search,0,0,.,.,.,.,.,.,DFT,MS
MMD-210,Co2N,2,6,triclinic,P1 [1],0.766,0.766,AGA search,0.01,0.01,.,.,.,.,.,.,DFT,MS
MMD-211,Co2N,2,6,orthorhombic,Pnnm [58],0.064,0.064,AGA search,0,0,.,.,.,.,.,.,DFT,MS
MMD-212,Co2N,2,6,orthorhombic,Pnnm [58],0.065,0.065,AGA search,0,0,.,.,.,.,.,.,DFT,MS
MMD-213,Co2N,2,6,tetragonal,P4_2/mnm [136],0.067,0.067,AGA search,0,0,.,.,.,.,.,.,DFT,MS
MMD-214,Co2N,2,6,orthorhombic,Pnnm [58],0.064,0.064,AGA search,0,0,.,.,.,.,.,.,DFT,MS
MMD-215,Co2N,2,6,orthorhombic,Pnnm [58],0.064,0.064,AGA search,0,0,.,.,.,.,.,.,DFT,MS
MMD-216,Co2N,2,6,orthorhombic,Pnnm [58],0.064,0.064,AGA search,0,0,.,.,.,.,.,.,DFT,MS
MMD-217,Co2N,2,6,orthorhombic,Pnnm [58],0.064,0.064,AGA search,0,0,.,.,.,.,.,.,DFT,MS
MMD-218,Co2N,2,6,orthorhombic,Pnnm [58],0.064,0.064,AGA search,0,0,.,.,.,.,.,.,DFT,MS
MMD-219,Co2N,2,6,orthorhombic,Pnnm [58],0.064,0.064,AGA search,0,0,.,.,.,.,.,.,DFT,MS
MMD-220,Co2N,2,6,orthorhombic,Pnnm [58],0.064,0.064,AGA search,0,0,.,.,.,.,.,.,DFT,MS
MMD-221,Co2N,8,24,orthorhombic,Pnnm [58],0.065,0.065,AGA search,0,0,.,.,.,.,.,.,DFT,MS
MMD-222,Co2N,2,6,orthorhombic,Pnnm [58],0.064,0.064,AGA search,0,0,.,.,.,.,.,.,DFT,MS
MMD-223,Co2N,2,6,orthorhombic,Pnnm [58],0.064,0.064,AGA search,0,0,.,.,.,.,.,.,DFT,MS
MMD-224,Co3N,2,8,orthorhombic,Cmmm [65],0.11,0.11,AGA search,1.03,1.22,a,-0.78,-0.84,-0.05,.,.,DFT,MS
MMD-225,Co4N,2,10,monoclinic,P2_1/c [14],0.069,0.069,AGA search,0.93,1.08,a,-1.26,-0.68,0.58,.,.,DFT,MS
MMD-226,Co4N,4,20,monoclinic,C2 [5],0.073,0.073,AGA search,0.91,1.06,b,0.07,-0.14,-0.21,.,.,DFT,MS
MMD-227,Co5N,2,12,tetragonal,I4/m [87],0.064,0.064,AGA search,1.14,1.3,ab plane,-2.42,.,.,.,.,DFT,MS
MMD-228,Co5N,2,12,tetragonal,I4/m [87],0.064,0.064,AGA search,1.14,1.3,ab plane,-2.42,.,.,.,.,DFT,MS
MMD-229,Co5N,4,24,orthorhombic,Cmmm [65],0.064,0.064,AGA search,1.27,1.42,a,-0.53,-0.22,0.3,.,.,DFT,MS
MMD-230,Co5N,4,24,orthorhombic,Cmmm [65],0.064,0.064,AGA search,1.27,1.42,a,-0.52,-0.25,0.27,.,.,DFT,MS
MMD-231,Co5N,4,24,orthorhombic,Cmmm [65],0.064,0.064,AGA search,1.27,1.42,a,-0.52,-0.27,0.25,.,.,DFT,MS
MMD-232,Co5N,2,12,tetragonal,I4/m [87],0.064,0.064,AGA search,1.15,1.3,ab plane,-2.42,.,.,.,.,DFT,MS
MMD-233,Co5N,4,24,orthorhombic,Cmcm [63],0.064,0.064,AGA search,1.26,1.41,c,0.04,-0.98,-1.01,.,.,DFT,MS
MMD-234,Co5N,4,24,orthorhombic,Cmmm [65],0.064,0.064,AGA search,1.27,1.42,a,-0.5,-0.23,0.27,.,.,DFT,MS
MMD-235,Co8N,4,36,cubic,Fm-3m [225],0.039,0.039,AGA search,1.29,1.45,<111>,.,.,.,0,.,DFT,MS
MMD-236,Co8N,2,18,cubic,Fm-3m [225],0.04,0.04,AGA search,1.29,1.45,ab plane,-0.35,.,.,.,.,DFT,MS
MMD-237,Co8N,2,18,monoclinic,C2/m [12],0.042,0.042,AGA search,1.24,1.39,a,-0.52,-0.33,0.18,.,.,DFT,MS
MMD-238,Co8N,2,18,monoclinic,C2/m [12],0.042,0.042,AGA search,1.24,1.39,a,-0.51,-0.33,0.18,.,.,DFT,MS
MMD-239,Co8N,2,18,monoclinic,C2/m [12],0.042,0.042,AGA search,1.24,1.39,a,-0.52,-0.34,0.17,.,.,DFT,MS
MMD-240,Co8N,2,18,monoclinic,C2/m [12],0.042,0.042,AGA search,1.24,1.39,a,-0.52,-0.35,0.17,.,.,DFT,MS
MMD-241,Co8N,2,18,monoclinic,C2/m [12],0.042,0.042,AGA search,1.23,1.39,a,-0.52,-0.38,0.14,.,.,DFT,MS
MMD-242,Co8N,2,18,monoclinic,C2/m [12],0.042,0.042,AGA search,1.35,1.51,b,-0.01,-0.12,-0.12,.,.,DFT,MS
MMD-243,Co8N,2,18,monoclinic,C2/m [12],0.042,0.042,AGA search,1.35,1.51,b,0.04,-0.03,-0.07,.,.,DFT,MS
MMD-244,Co8N,2,18,monoclinic,C2/m [12],0.042,0.042,AGA search,1.36,1.51,b,0.07,-0.07,-0.14,.,.,DFT,MS
MMD-245,Co8N,2,18,monoclinic,C2/m [12],0.042,0.042,AGA search,1.23,1.39,a,-0.52,-0.37,0.15,.,.,DFT,MS
MMD-246,Co8N,2,18,orthorhombic,Cmmm [65],0.044,0.044,AGA search,1.3,1.45,a,-0.98,-1.5,-0.52,.,.,DFT,MS
MMD-247,Co8N,2,18,orthorhombic,Cmmm [65],0.044,0.044,AGA search,1.3,1.45,a,-0.97,-1.49,-0.52,.,.,DFT,MS
MMD-248,Co8N,2,18,orthorhombic,Cmmm [65],0.044,0.044,AGA search,1.3,1.45,a,-0.97,-1.48,-0.5,.,.,DFT,MS
MMD-249,Co4N,4,20,monoclinic,C2 [5],0.107,0.107,AGA search,0.81,1.02,b,0.22,-0.05,-0.27,.,.,DFT,MS
MMD-250,Co4N,2,10,monoclinic,P2_1/c [14],0.097,0.097,AGA search,0.87,1.08,a,-1.04,-0.8,0.24,.,.,DFT,MS
MMD-251,Co4N,2,10,orthorhombic,P2_12_12 [18],0.115,0.115,AGA search,0.82,1.04,a,-0.82,-0.29,0.53,.,.,DFT,MS
MMD-252,Co4N,2,10,orthorhombic,P2_12_12 [18],0.113,0.113,AGA search,0.83,1.04,a,-0.81,-0.29,0.52,.,.,DFT,MS
MMD-253,Co5N,4,24,monoclinic,C2 [5],0.106,0.106,AGA search,0.97,1.2,b,0.4,-0.16,-0.56,.,.,DFT,MS
MMD-254,Co5N,2,12,tetragonal,I4/m [87],0.098,0.098,AGA search,1.05,1.29,ab plane,-2.71,.,.,.,.,DFT,MS
MMD-255,Co3N,6,24,trigonal,R-3c [167],0.106,0.106,AGA search,0.58,0.76,c,0.65,.,.,.,.,DFT,MS
MMD-256,Co3N,6,24,trigonal,R-3c [167],0.069,0.069,AGA search,0.68,0.81,c,0.87,.,.,.,.,DFT,MS
MMD-257,Co3N,2,8,hexagonal,P6_322 [182],0.07,0.07,AGA search,0.73,0.87,c,0.03,.,.,.,.,DFT,MS
MMD-258,Co4N,2,10,orthorhombic,P2_12_12 [18],0.079,0.079,AGA search,0.97,1.13,a,-0.21,-0.06,0.15,.,.,DFT,MS
MMD-259,Co4N,2,10,tetragonal,I4/mmm [139],0.088,0.088,AGA search,1.23,1.4,c,3.1,.,.,.,.,DFT,MS
MMD-260,Co5N,4,24,monoclinic,C2 [5],0.07,0.07,AGA search,1.08,1.24,b,0.5,-0.05,-0.55,.,.,DFT,MS
MMD-261,Co5N,4,24,monoclinic,C2 [5],0.106,0.106,AGA search,0.97,1.2,b,0.4,-0.16,-0.56,.,.,DFT,MS
MMD-262,Co8N,1,9,tetragonal,P4/mmm [123],0.05,0.05,AGA search,1.38,1.52,c,0.2,.,.,.,.,DFT,MS
MMD-263,Co8N,4,36,cubic,Fm-3m [225],0.039,0.039,AGA search,1.28,1.45,a,.,.,.,0,.,DFT,MS
MMD-264,Co8N,4,36,cubic,Fm-3m [225],0.046,0.046,AGA search,1.24,1.45,a,.,.,.,0,.,DFT,MS
MMD-265,Co8N,2,18,tetragonal,I4/mmm [139],0.122,0.122,AGA search,1.37,1.51,ab plane,-2.26,.,.,.,.,DFT,MS
MMD-266,Co4N,2,10,monoclinic,P2_1/c [14],0.068,0.068,AGA search,0.93,1.09,a,-1.22,-0.68,0.53,.,.,DFT,MS
MMD-267,Co4N,4,20,monoclinic,C2 [5],0.072,0.072,AGA search,0.9,1.06,b,0.09,-0.13,-0.21,.,.,DFT,MS
MMD-268,Co5N,2,12,tetragonal,I4/m [87],0.063,0.063,AGA search,1.14,1.3,ab plane,-2.43,.,.,.,.,DFT,MS
MMD-269,Co5N,4,24,orthorhombic,Cmcm [63],0.063,0.063,AGA search,1.25,1.41,c,0.05,-0.96,-1.01,.,.,DFT,MS
MMD-270,Co5N,4,24,orthorhombic,Cmmm [65],0.063,0.063,AGA search,1.26,1.42,a,-0.51,-0.27,0.24,.,.,DFT,MS
MMD-271,Co6N,2,14,triclinic,P1 [1],0.059,0.059,AGA search,1.17,1.33,.,.,.,.,.,.,DFT,MS
MMD-272,Co6N,2,14,monoclinic,C2/m [12],0.062,0.062,AGA search,1.15,1.32,a,-0.24,0.68,0.92,.,.,DFT,MS
MMD-273,Co7N,2,16,triclinic,P-1 [2],0.051,0.051,AGA search,1.19,1.36,.,.,.,.,.,.,DFT,MS
MMD-274,Co8N,4,36,cubic,Fm-3m [225],0.039,0.039,AGA search,1.28,1.45,a,.,.,.,0,.,DFT,MS
MMD-275,Co8N,4,36,cubic,Fm-3m [225],0.039,0.039,AGA search,1.28,1.45,a,.,.,.,0,.,DFT,MS
MMD-276,Co8N,2,18,monoclinic,C2/m [12],0.041,0.041,AGA search,1.35,1.51,c,0.24,0.15,-0.09,.,.,DFT,MS
MMD-277,Co8N,2,18,orthorhombic,Cmmm [65],0.043,0.043,AGA search,1.3,1.45,a,-0.98,-1.51,-0.52,.,.,DFT,MS
MMD-278,Co3Ge,4,16,orthorhombic,Cmcm [63],-0.099,0.001,AGA search,0.76,0.78,c,0.23,0.32,0.09,.,.,DFT,MS
MMD-279,Co3Ge,2,8,tetragonal,I4/mmm [139],-0.068,0.033,AGA search,0.76,0.79,ab plane,-2.21,.,.,.,.,DFT,MS
MMD-280,Co3Ge,2,8,tetragonal,I4/mmm [139],-0.068,0.033,AGA search,0.76,0.79,ab plane,-2.21,.,.,.,.,DFT,MS
MMD-281,Co3Ge,6,24,tetragonal,I4/mmm [139],-0.068,0.033,AGA search,0.76,0.78,.,.,.,.,.,.,DFT,MS
MMD-282,Co3Ge,4,16,orthorhombic,Cmcm [63],-0.099,0.001,AGA search,0.76,0.78,c,0.21,0.32,0.11,.,.,DFT,MS
MMD-283,CoN,4,8,cubic,F-43m [216],0.085,0.085,AGA search,0,0,.,.,.,.,.,.,DFT,MS
MMD-284,CoN,4,8,cubic,F-43m [216],0.085,0.085,AGA search,0,0,.,.,.,.,.,.,DFT,MS
MMD-285,CoN,4,8,cubic,F-43m [216],0.086,0.086,AGA search,0,0,.,.,.,.,.,.,DFT,MS
MMD-286,Co2N,2,6,orthorhombic,Pnnm [58],0.064,0.064,AGA search,0,0,.,.,.,.,.,.,DFT,MS
MMD-287,Co2N,2,6,orthorhombic,Pnnm [58],0.064,0.064,AGA search,0,0,.,.,.,.,.,.,DFT,MS
MMD-288,Co3N,6,24,trigonal,R-3c [167],0.068,0.068,AGA search,0.67,0.81,c,0.86,.,.,.,.,DFT,MS
MMD-289,Co3N,2,8,hexagonal,P6_322 [182],0.069,0.069,AGA search,0.72,0.87,c,0.12,.,.,.,.,DFT,MS
MMD-290,Co3N,6,24,trigonal,R-3c [167],0.068,0.068,AGA search,0.67,0.81,c,0.86,.,.,.,.,DFT,MS
MMD-291,Co3N,6,24,trigonal,R-3c [167],0.068,0.068,AGA search,0.67,0.81,c,0.87,.,.,.,.,DFT,MS
MMD-292,Co3N,2,8,hexagonal,P6_322 [182],0.069,0.069,AGA search,0.72,0.87,c,0.12,.,.,.,.,DFT,MS
MMD-293,Co3N,2,8,hexagonal,P6_322 [182],0.069,0.069,AGA search,0.71,0.86,c,0.14,.,.,.,.,DFT,MS
MMD-294,Co4N,2,10,monoclinic,P2_1/c [14],0.068,0.068,AGA search,0.93,1.09,a,-1.23,-0.67,0.56,.,.,DFT,MS
MMD-295,Co4N,4,20,monoclinic,C2 [5],0.072,0.072,AGA search,0.9,1.06,b,0.09,-0.13,-0.21,.,.,DFT,MS
MMD-296,Co4N,2,10,monoclinic,P2_1/c [14],0.068,0.068,AGA search,0.93,1.09,a,-1.22,-0.68,0.55,.,.,DFT,MS
MMD-297,Co4N,2,10,monoclinic,P2_1/c [14],0.068,0.068,AGA search,0.93,1.09,a,-1.21,-0.67,0.54,.,.,DFT,MS
MMD-298,Co4N,4,20,monoclinic,C2 [5],0.072,0.072,AGA search,0.9,1.06,b,0.09,-0.12,-0.21,.,.,DFT,MS
MMD-299,Co4N,4,20,monoclinic,C2 [5],0.072,0.072,AGA search,0.9,1.06,b,0.09,-0.13,-0.22,.,.,DFT,MS
MMD-300,Co5N,2,12,tetragonal,I4/m [87],0.063,0.063,AGA search,1.14,1.3,ab plane,-2.44,.,.,.,.,DFT,MS
MMD-301,Co5N,4,24,orthorhombic,Cmcm [63],0.063,0.063,AGA search,1.25,1.41,c,0.04,-0.97,-1.01,.,.,DFT,MS
MMD-302,Co5N,4,24,orthorhombic,Cmcm [63],0.063,0.063,AGA search,1.25,1.41,c,0.04,-0.96,-1,.,.,DFT,MS
MMD-303,Co5N,4,24,orthorhombic,Cmmm [65],0.063,0.063,AGA search,1.26,1.42,a,-0.51,-0.26,0.24,.,.,DFT,MS
MMD-304,Co5N,4,24,orthorhombic,Cmmm [65],0.063,0.063,AGA search,1.26,1.42,a,-0.5,-0.26,0.24,.,.,DFT,MS
MMD-305,Co5N,2,12,tetragonal,I4/m [87],0.063,0.063,AGA search,1.14,1.3,ab plane,-2.43,.,.,.,.,DFT,MS
MMD-306,Co5N,4,24,orthorhombic,Cmcm [63],0.063,0.063,AGA search,1.25,1.41,c,0.05,-0.96,-1.01,.,.,DFT,MS
MMD-307,Co5N,4,24,orthorhombic,Cmmm [65],0.063,0.063,AGA search,1.26,1.42,a,-0.51,-0.27,0.24,.,.,DFT,MS
MMD-308,Co6N,2,14,triclinic,P1 [1],0.059,0.059,AGA search,1.17,1.33,.,.,.,.,.,.,DFT,MS
MMD-309,Co6N,2,14,monoclinic,C2/m [12],0.062,0.062,AGA search,1.15,1.32,a,-0.24,0.68,0.92,.,.,DFT,MS
MMD-310,Co6N,2,14,triclinic,P1 [1],0.059,0.059,AGA search,1.17,1.33,.,.,.,.,.,.,DFT,MS
MMD-311,Co6N,2,14,monoclinic,C2/m [12],0.062,0.062,AGA search,1.15,1.32,a,-0.24,0.68,0.92,.,.,DFT,MS
MMD-312,Co7N,2,16,triclinic,P-1 [2],0.051,0.051,AGA search,1.19,1.36,.,.,.,.,.,.,DFT,MS
MMD-313,Co7N,2,16,triclinic,P-1 [2],0.051,0.051,AGA search,1.19,1.36,.,.,.,.,.,.,DFT,MS
MMD-314,Co7N,2,16,triclinic,P-1 [2],0.051,0.051,AGA search,1.19,1.36,.,.,.,.,.,.,DFT,MS
MMD-315,Co8N,4,36,cubic,Fm-3m [225],0.039,0.039,AGA search,1.29,1.45,a,.,.,.,0,.,DFT,MS
MMD-316,Co8N,2,18,monoclinic,C2/m [12],0.041,0.041,AGA search,1.23,1.39,a,-0.53,-0.36,0.17,.,.,DFT,MS
MMD-317,Co8N,2,18,monoclinic,C2/m [12],0.041,0.041,AGA search,1.35,1.51,b,-0.02,-0.11,-0.09,.,.,DFT,MS
MMD-318,Co8N,2,18,orthorhombic,Cmmm [65],0.043,0.043,AGA search,1.3,1.45,a,-0.97,-1.5,-0.53,.,.,DFT,MS
MMD-319,Co8N,4,36,cubic,Fm-3m [225],0.039,0.039,AGA search,1.28,1.45,a,.,.,.,0,.,DFT,MS
MMD-320,Co8N,4,36,cubic,Fm-3m [225],0.039,0.039,AGA search,1.28,1.45,a,.,.,.,0,.,DFT,MS
MMD-321,Co8N,2,18,monoclinic,C2/m [12],0.041,0.041,AGA search,1.35,1.51,c,0.3,0.16,-0.14,.,.,DFT,MS
MMD-322,Co8N,2,18,monoclinic,C2/m [12],0.041,0.041,AGA search,1.35,1.51,c,0.18,0.11,-0.08,.,.,DFT,MS
MMD-323,Co3Si,4,16,orthorhombic,Cmcm [63],-0.32,0.017,AGA search,0.72,0.78,c,0.04,-0.24,-0.28,.,.,DFT,MS
MMD-324,Co3Si,4,16,orthorhombic,Cmcm [63],-0.331,0.007,AGA search,0.73,0.8,c,0.38,-0.07,-0.45,.,.,DFT,MS
MMD-325,Co3Si,2,8,hexagonal,P6_3/mmc [194],-0.263,0.075,AGA search,0.65,0.72,ab plane,-2.3,.,.,.,.,DFT,MS
MMD-326,Co3Si,2,8,hexagonal,P6_3/mmc [194],-0.266,0.072,AGA search,0.71,0.78,ab plane,-2.84,.,.,.,.,DFT,MS
MMD-327,Co3Si,4,16,orthorhombic,Cmcm [63],-0.331,0.007,AGA search,0.73,0.8,c,0.35,-0.07,-0.42,.,.,DFT,MS
MMD-328,Co3Si,4,16,orthorhombic,Cmcm [63],-0.331,0.007,AGA search,0.73,0.8,c,0.36,-0.08,-0.44,.,.,DFT,MS
MMD-329,Co3Si,4,16,orthorhombic,Cmcm [63],-0.331,0.007,AGA search,0.73,0.8,c,0.37,-0.07,-0.44,.,.,DFT,MS
MMD-330,Co3Si,4,16,orthorhombic,Cmcm [63],-0.331,0.007,AGA search,0.73,0.8,c,0.35,-0.08,-0.44,.,.,DFT,MS
MMD-331,Co3Si,4,16,orthorhombic,Cmcm [63],-0.331,0.007,AGA search,0.73,0.8,c,0.37,-0.1,-0.47,.,.,DFT,MS
MMD-332,Co3Si,4,16,orthorhombic,Cmcm [63],-0.331,0.007,AGA search,0.73,0.8,c,0.36,-0.09,-0.45,.,.,DFT,MS
MMD-333,Co3Si,4,16,orthorhombic,Cmcm [63],-0.331,0.007,AGA search,0.73,0.8,c,0.36,-0.09,-0.46,.,.,DFT,MS
MMD-334,Fe6Co2N,1,9,tetragonal,P4mm [99],-0.016,0.058,AGA search,1.94,2.08,ab plane,-0.46,.,.,.,.,DFT,MS
MMD-335,Fe6Co2N,1,9,tetragonal,P4/mmm [123],-0.016,0.058,AGA search,1.91,2.06,c,0.04,.,.,.,.,DFT,MS
MMD-336,Fe6Co2N,2,18,orthorhombic,Imm2 [44],-0.001,0.072,AGA search,1.97,2.1,c,1.5,1.2,-0.29,.,.,DFT,MS
MMD-337,Fe4Co4N,2,18,tetragonal,I4/mmm [139],-0.015,0.06,AGA search,1.83,1.96,c,1.83,.,.,.,.,DFT,MS
MMD-338,Fe5CoN2,2,16,monoclinic,C2 [5],-0.047,0.045,AGA search,1.42,1.65,a,-1.08,-0.48,0.6,.,.,DFT,MS
MMD-339,Fe2CoN,4,16,monoclinic,C2 [5],-0.028,0.073,AGA search,1.28,1.5,a,-1.36,-1.3,0.06,.,.,DFT,MS
MMD-340,Fe3Co3N2,1,8,triclinic,P1 [1],-0.005,0.079,AGA search,1.06,1.25,.,.,.,.,.,.,DFT,MS
MMD-341,Fe3Co3N2,1,8,triclinic,P1 [1],-0.003,0.081,AGA search,1.14,1.34,.,.,.,.,.,.,DFT,MS
MMD-342,FeCo2N,4,16,orthorhombic,C222_1 [20],0.016,0.083,AGA search,0.99,1.17,a,-1.63,-0.46,1.17,.,.,DFT,MS
MMD-343,FeCo2N,4,16,monoclinic,Cc [9],0.018,0.084,AGA search,0.92,1.09,b,-0.83,-0.97,-0.14,.,.,DFT,MS
MMD-344,FeCo5N2,2,16,monoclinic,C2 [5],0.04,0.073,AGA search,0.8,0.95,b,0.2,-0.2,-0.4,.,.,DFT,MS
MMD-345,FeCo5N2,2,16,monoclinic,C2 [5],0.044,0.077,AGA search,0.85,1.02,b,-0.46,-0.75,-0.28,.,.,DFT,MS
MMD-346,Fe7CoN2,1,10,tetragonal,P4/mmm [123],-0.037,0.037,AGA search,1.87,2.01,c,0.85,.,.,.,.,DFT,MS
MMD-347,Fe7CoN2,2,20,tetragonal,I4/mmm [139],-0.033,0.041,AGA search,1.81,1.98,ab plane,-0.11,.,.,.,.,DFT,MS
MMD-348,Fe3CoN,2,10,orthorhombic,Pmm2 [25],-0.036,0.054,AGA search,1.76,1.92,c,0.23,-0.45,-0.68,.,.,DFT,MS
MMD-349,Fe5Co3N2,1,10,orthorhombic,Pmmm [47],-0.038,0.056,AGA search,1.65,1.82,c,0.75,0.13,-0.62,.,.,DFT,MS
MMD-350,Fe5Co3N2,1,10,tetragonal,P-4m2 [115],-0.037,0.057,AGA search,1.66,1.82,ab plane,-0.29,.,.,.,.,DFT,MS
MMD-351,Fe2Co2N,1,5,tetragonal,P4/mmm [123],-0.04,0.041,AGA search,1.6,1.78,ab plane,-0.31,.,.,.,.,DFT,MS
MMD-352,Fe2Co2N,2,10,tetragonal,P4_2/mmc [131],-0.037,0.044,AGA search,1.6,1.77,c,0.13,.,.,.,.,DFT,MS
MMD-353,Fe3Co5N2,1,10,orthorhombic,Pmmm [47],-0.024,0.043,AGA search,1.55,1.73,c,0.07,-0.01,-0.07,.,.,DFT,MS
MMD-354,FeCo3N,1,5,cubic,Pm-3m [221],-0.004,0.049,AGA search,1.48,1.66,a,.,.,.,0,.,DFT,MS
MMD-355,FeCo7N2,1,10,tetragonal,P4/mmm [123],0.035,0.062,AGA search,1.37,1.54,ab plane,-0.4,.,.,.,.,DFT,MS
MMD-356,FeCo7N2,1,10,triclinic,P1 [1],0.044,0.071,AGA search,1.02,1.18,.,.,.,.,.,.,DFT,MS
MMD-357,FeCo7N2,2,20,tetragonal,I4/mmm [139],0.043,0.069,AGA search,1.37,1.55,c,1.62,.,.,.,.,DFT,MS
MMD-358,Fe4CoN,4,24,orthorhombic,Amm2 [38],-0.018,0.06,AGA search,1.85,1.99,c,1.11,1.15,0.03,.,.,DFT,MS
MMD-359,Fe3Co2N,4,24,orthorhombic,Amm2 [38],-0.018,0.071,AGA search,1.57,1.74,c,0.9,1.09,0.18,.,.,DFT,MS
MMD-360,Fe2Co3N,4,24,orthorhombic,Amm2 [38],-0.012,0.055,AGA search,1.52,1.68,c,1.4,1.24,-0.16,.,.,DFT,MS
MMD-361,FeCo4N,4,24,orthorhombic,Amm2 [38],0.014,0.058,AGA search,1.41,1.57,c,1.06,1.02,-0.04,.,.,DFT,MS
MMD-362,FeCo5N,2,14,tetragonal,P4mm [99],0.015,0.053,AGA search,1.49,1.64,c,0.49,.,.,.,.,DFT,MS
MMD-363,Fe5CoN,2,14,tetragonal,P4/mmm [123],-0.022,0.045,AGA search,1.98,2.11,c,0.67,.,.,.,.,DFT,MS
MMD-364,Fe4Co2N,2,14,tetragonal,P4mm [99],-0.019,0.066,AGA search,1.83,1.97,c,1.57,.,.,.,.,DFT,MS
MMD-365,Fe3Co3N,2,14,orthorhombic,Pmmm [47],-0.019,0.058,AGA search,1.59,1.74,a,-0.7,0.01,0.71,.,.,DFT,MS
MMD-366,Fe2Co4N,2,14,tetragonal,P4/mmm [123],-0.017,0.041,AGA search,1.57,1.72,c,0.54,.,.,.,.,DFT,MS
MMD-367,Fe5Co2N,4,32,orthorhombic,Amm2 [38],0.014,0.093,AGA search,1.73,1.92,c,2.24,2.22,-0.01,.,.,DFT,MS
MMD-368,Fe4Co3N,4,32,orthorhombic,Amm2 [38],0.004,0.088,AGA search,1.65,1.83,c,1.96,1.87,-0.08,.,.,DFT,MS
MMD-369,Fe3Co4N,4,32,orthorhombic,Cmmm [65],0,0.067,AGA search,1.55,1.72,a,-0.67,0.2,0.87,.,.,DFT,MS
MMD-370,Fe7CoN,1,9,orthorhombic,Pmmm [47],-0.016,0.036,AGA search,2.1,2.19,a,-0.04,-0.43,-0.39,.,.,DFT,MS
MMD-371,Fe7CoN,1,9,tetragonal,P4/mmm [123],-0.01,0.043,AGA search,1.99,2.11,ab plane,-0.73,.,.,.,.,DFT,MS
MMD-372,Fe6Co2N,1,9,tetragonal,P4/mmm [123],-0.023,0.051,AGA search,2.04,2.15,c,0.24,.,.,.,.,DFT,MS
MMD-373,Fe6Co2N,1,9,tetragonal,P4mm [99],-0.016,0.058,AGA search,1.94,2.08,ab plane,-0.43,.,.,.,.,DFT,MS
MMD-374,Fe5Co3N,2,18,tetragonal,I-4m2 [119],-0.02,0.063,AGA search,1.91,2.03,c,1.1,.,.,.,.,DFT,MS
MMD-375,Fe5Co3N,1,9,tetragonal,P4mm [99],-0.017,0.065,AGA search,1.93,2.05,c,1.46,.,.,.,.,DFT,MS
MMD-376,Fe4Co4N,1,9,tetragonal,P4/mmm [123],-0.019,0.056,AGA search,1.84,1.97,c,1.65,.,.,.,.,DFT,MS
MMD-377,Fe3Co5N,2,18,tetragonal,I4mm [107],-0.015,0.045,AGA search,1.41,1.57,c,0.36,.,.,.,.,DFT,MS
MMD-378,Fe2Co6N,4,36,cubic,Fm-3m [225],-0.028,0.017,AGA search,1.41,1.57,<111>,.,.,.,0,.,DFT,MS
MMD-379,FeCo7N,4,36,cubic,F-43m [216],0.008,0.038,AGA search,1.37,1.53,<111>,.,.,.,0,.,DFT,MS
MMD-380,Fe3Co5N,2,18,tetragonal,I4mm [107],-0.015,0.045,AGA search,1.41,1.57,c,0.36,.,.,.,.,DFT,MS
MMD-381,Fe2Co6N,4,36,cubic,Fm-3m [225],-0.028,0.017,AGA search,1.41,1.57,<111>,.,.,.,0,.,DFT,MS
MMD-382,Fe4Co4N,2,18,tetragonal,I4/mmm [139],-0.002,0.073,AGA search,1.5,1.66,c,0.17,.,.,.,.,DFT,MS
MMD-383,Fe3Co5N,2,18,tetragonal,I4mm [107],-0.015,0.045,AGA search,1.41,1.57,c,0.36,.,.,.,.,DFT,MS
MMD-384,FeCo7N,2,18,tetragonal,P4/nmm [129],0.008,0.037,AGA search,1.37,1.53,ab plane,-0.15,.,.,.,.,DFT,MS
MMD-385,Fe2Co6N,4,36,cubic,Fm-3m [225],-0.028,0.017,AGA search,1.41,1.57,<111>,.,.,.,0,.,DFT,MS
MMD-386,Fe5Co3N,2,18,tetragonal,I-4m2 [119],-0.019,0.063,AGA search,1.9,2.03,c,1.11,.,.,.,.,DFT,MS
MMD-387,Fe4Co4N,2,18,tetragonal,I4/mmm [139],-0.01,0.065,AGA search,1.86,1.95,c,1.77,.,.,.,.,DFT,MS
MMD-388,Fe5Co3N,2,18,tetragonal,I-4m2 [119],-0.018,0.065,AGA search,1.93,2.01,c,1.11,.,.,.,.,DFT,MS
MMD-389,Fe5Co3N,2,18,tetragonal,P4_2/mmc [131],-0.016,0.066,AGA search,1.93,2.02,c,1.3,.,.,.,.,DFT,MS
MMD-390,Fe5Co3N,2,18,tetragonal,P4/nmm [129],-0.016,0.067,AGA search,1.93,2.01,c,0.9,.,.,.,.,DFT,MS
MMD-391,Fe6Co2N,2,18,tetragonal,I4/mmm [139],-0.021,0.052,AGA search,1.98,2.06,c,0.8,.,.,.,.,DFT,MS
MMD-392,Fe7CoN,2,18,tetragonal,P4/mmm [123],-0.023,0.03,AGA search,2.04,2.13,c,0.95,.,.,.,.,DFT,MS
MMD-393,Fe7CoN,2,18,tetragonal,P4/nmm [129],-0.023,0.03,AGA search,2.02,2.11,c,1.06,.,.,.,.,DFT,MS
MMD-394,Fe7CoN,2,18,tetragonal,I-4m2 [119],-0.022,0.031,AGA search,2.07,2.16,c,1.44,.,.,.,.,DFT,MS
MMD-395,Fe4Co4N,2,18,tetragonal,I4/mmm [139],-0.011,0.064,AGA search,1.86,1.95,c,1.82,.,.,.,.,DFT,MS
MMD-396,FeCo7N,2,18,tetragonal,P4/nmm [129],0.008,0.038,AGA search,1.36,1.54,ab plane,-0.33,.,.,.,.,DFT,MS
MMD-397,FeCo7N,4,36,cubic,F-43m [216],0.009,0.038,AGA search,1.36,1.53,<111>,.,.,.,-0.01,.,DFT,MS
MMD-398,FeCo7N,2,18,tetragonal,P4_2/mmc [131],0.01,0.04,AGA search,1.36,1.54,ab plane,-0.03,.,.,.,.,DFT,MS
MMD-399,Fe2Co6N,4,36,cubic,Fm-3m [225],-0.026,0.019,AGA search,1.4,1.58,<111>,.,.,.,0,.,DFT,MS
MMD-400,Fe3Co5N,2,18,tetragonal,I4mm [107],-0.013,0.047,AGA search,1.39,1.58,c,0.36,.,.,.,.,DFT,MS
MMD-401,Fe3Co5N,2,18,tetragonal,P4/mmm [123],-0.012,0.048,AGA search,1.4,1.58,c,0.34,.,.,.,.,DFT,MS
MMD-402,Fe4Co4N,2,18,tetragonal,I4/mmm [139],0.002,0.077,AGA search,1.47,1.66,c,0.19,.,.,.,.,DFT,MS
MMD-403,FeCo5N2,2,16,monoclinic,C2 [5],0.04,0.073,AGA search,0.8,0.95,b,0.2,-0.2,-0.4,.,.,DFT,MS
MMD-404,FeCo5N2,2,16,monoclinic,C2 [5],0.044,0.077,AGA search,0.85,1.02,b,-0.47,-0.75,-0.28,.,.,DFT,MS
MMD-405,FeCo2N,4,16,orthorhombic,C222_1 [20],0.016,0.083,AGA search,0.99,1.17,a,-1.63,-0.46,1.17,.,.,DFT,MS
MMD-406,FeCo2N,4,16,monoclinic,Cc [9],0.018,0.084,AGA search,0.92,1.09,b,-0.83,-0.98,-0.14,.,.,DFT,MS
MMD-407,Fe3Co3N2,1,8,triclinic,P1 [1],-0.005,0.079,AGA search,1.06,1.25,.,.,.,.,.,.,DFT,MS
MMD-408,Fe3Co3N2,1,8,triclinic,P1 [1],-0.003,0.081,AGA search,1.14,1.34,.,.,.,.,.,.,DFT,MS
MMD-409,Fe2CoN,4,16,monoclinic,C2 [5],-0.028,0.073,AGA search,1.28,1.5,a,-1.36,-1.3,0.06,.,.,DFT,MS
MMD-410,Fe5CoN2,2,16,monoclinic,C2 [5],-0.047,0.045,AGA search,1.42,1.65,a,-1.08,-0.47,0.6,.,.,DFT,MS
MMD-411,FeCo7N2,1,10,triclinic,P1 [1],0.044,0.071,AGA search,1.02,1.18,.,.,.,.,.,.,DFT,MS
MMD-412,FeCo7N2,1,10,tetragonal,P4/mmm [123],0.035,0.062,AGA search,1.37,1.54,ab plane,-0.4,.,.,.,.,DFT,MS
MMD-413,Fe3Co5N2,1,10,orthorhombic,Pmmm [47],-0.024,0.043,AGA search,1.55,1.73,c,0.07,0.01,-0.06,.,.,DFT,MS
MMD-414,Fe2Co2N,2,10,tetragonal,P4_2/mmc [131],-0.037,0.044,AGA search,1.6,1.77,c,0.13,.,.,.,.,DFT,MS
MMD-415,Fe5Co3N2,1,10,orthorhombic,Pmmm [47],-0.038,0.056,AGA search,1.65,1.82,c,0.63,-0.13,-0.75,.,.,DFT,MS
MMD-416,Fe3CoN,1,5,tetragonal,P4/mmm [123],-0.036,0.054,AGA search,1.66,1.85,c,0.54,.,.,.,.,DFT,MS
MMD-417,Fe3CoN,4,20,tetragonal,I4mm [107],-0.033,0.057,AGA search,1.73,1.91,c,0.97,.,.,.,.,DFT,MS
MMD-418,Fe3CoN,2,10,orthorhombic,Pmm2 [25],-0.036,0.054,AGA search,1.76,1.92,c,0.23,-0.46,-0.68,.,.,DFT,MS
MMD-419,Fe7CoN2,1,10,tetragonal,P4/mmm [123],-0.037,0.037,AGA search,1.87,2.01,c,0.85,.,.,.,.,DFT,MS
MMD-420,Fe7CoN2,2,20,tetragonal,I4mm [107],-0.032,0.042,AGA search,1.83,2,c,0.88,.,.,.,.,DFT,MS
MMD-421,Fe7CoN2,1,10,triclinic,P1 [1],-0.03,0.044,AGA search,1.51,1.71,.,.,.,.,.,.,DFT,MS
MMD-422,Fe7CoN2,1,10,tetragonal,P4/mmm [123],-0.029,0.045,AGA search,1.88,2.02,ab plane,-0.35,.,.,.,.,DFT,MS
MMD-423,FeCo4N,4,24,orthorhombic,Cmmm [65],0.016,0.06,AGA search,1.41,1.57,a,-0.17,0.13,0.29,.,.,DFT,MS
MMD-424,FeCo4N,4,24,orthorhombic,Amm2 [38],0.017,0.061,AGA search,1.41,1.57,c,0.36,0.3,-0.06,.,.,DFT,MS
MMD-425,FeCo4N,4,24,orthorhombic,Amm2 [38],0.014,0.058,AGA search,1.41,1.57,c,1.03,1,-0.03,.,.,DFT,MS
MMD-426,FeCo4N,4,24,orthorhombic,Amm2 [38],0.017,0.061,AGA search,1.41,1.58,c,0.35,0.32,-0.03,.,.,DFT,MS
MMD-427,FeCo4N,4,24,orthorhombic,Cmmm [65],0.021,0.066,AGA search,1.39,1.56,a,-1.23,-0.68,0.55,.,.,DFT,MS
MMD-428,FeCo4N,4,24,orthorhombic,Cmmm [65],0.023,0.067,AGA search,1.39,1.55,a,-0.85,0.66,1.51,.,.,DFT,MS
MMD-429,Fe2Co3N,4,24,orthorhombic,Amm2 [38],-0.012,0.055,AGA search,1.52,1.68,c,1.4,1.24,-0.16,.,.,DFT,MS
MMD-430,Fe2Co3N,4,24,orthorhombic,Amm2 [38],-0.01,0.057,AGA search,1.52,1.68,c,1.28,1.46,0.18,.,.,DFT,MS
MMD-431,Fe2Co3N,4,24,orthorhombic,Amm2 [38],-0.01,0.057,AGA search,1.52,1.68,c,1.28,1.46,0.18,.,.,DFT,MS
MMD-432,Fe2Co3N,4,24,orthorhombic,Amm2 [38],-0.009,0.058,AGA search,1.51,1.67,c,1.39,1.89,0.49,.,.,DFT,MS
MMD-433,Fe2Co3N,4,24,orthorhombic,Amm2 [38],-0.009,0.058,AGA search,1.53,1.68,c,1.18,1.48,0.3,.,.,DFT,MS
MMD-434,Fe2Co3N,4,24,orthorhombic,Amm2 [38],-0.008,0.059,AGA search,1.51,1.67,c,1.39,1.67,0.28,.,.,DFT,MS
MMD-435,Fe2Co3N,4,24,orthorhombic,Amm2 [38],-0.006,0.061,AGA search,1.53,1.69,c,0.59,0.47,-0.12,.,.,DFT,MS
MMD-436,Fe3Co2N,4,24,orthorhombic,Amm2 [38],-0.018,0.071,AGA search,1.57,1.74,c,0.9,1.08,0.18,.,.,DFT,MS
MMD-437,Fe3Co2N,4,24,orthorhombic,Amm2 [38],-0.017,0.073,AGA search,1.63,1.79,c,0.66,0.74,0.08,.,.,DFT,MS
MMD-438,Fe3Co2N,4,24,orthorhombic,Amm2 [38],-0.017,0.073,AGA search,1.6,1.76,c,0.81,1.07,0.26,.,.,DFT,MS
MMD-439,Fe3Co2N,4,24,orthorhombic,Amm2 [38],-0.014,0.076,AGA search,1.61,1.78,c,1.65,1.48,-0.17,.,.,DFT,MS
MMD-440,Fe3Co2N,4,24,orthorhombic,Amm2 [38],-0.013,0.076,AGA search,1.63,1.79,c,0.49,0.94,0.44,.,.,DFT,MS
MMD-441,Fe3Co2N,4,24,orthorhombic,Amm2 [38],-0.012,0.078,AGA search,1.61,1.78,c,1.46,1.4,-0.06,.,.,DFT,MS
MMD-442,Fe3Co2N,4,24,orthorhombic,Amm2 [38],-0.011,0.079,AGA search,1.63,1.8,c,1.15,1.12,-0.03,.,.,DFT,MS
MMD-443,Fe4CoN,4,24,orthorhombic,Amm2 [38],-0.018,0.06,AGA search,1.85,1.99,c,1.12,1.15,0.03,.,.,DFT,MS
MMD-444,Fe4CoN,4,24,orthorhombic,Cmcm [63],-0.015,0.063,AGA search,1.76,1.93,a,-0.51,-0.89,-0.38,.,.,DFT,MS
MMD-445,Fe4CoN,4,24,orthorhombic,Amm2 [38],-0.015,0.063,AGA search,1.79,1.95,c,0.78,0.68,-0.1,.,.,DFT,MS
MMD-446,Fe4CoN,2,12,orthorhombic,Cmmm [65],-0.013,0.065,AGA search,1.8,1.95,a,-1.35,0.23,1.57,.,.,DFT,MS
MMD-447,Fe4CoN,4,24,orthorhombic,Amm2 [38],-0.011,0.067,AGA search,1.75,1.92,c,0.66,0.58,-0.08,.,.,DFT,MS
MMD-448,Fe4CoN,4,24,orthorhombic,Amm2 [38],-0.013,0.065,AGA search,1.83,1.97,c,1.47,1.39,-0.07,.,.,DFT,MS
MMD-449,Fe4CoN,4,24,orthorhombic,Cmcm [63],-0.01,0.068,AGA search,1.71,1.88,a,-0.02,-0.82,-0.8,.,.,DFT,MS
MMD-450,Fe5CoN,2,14,tetragonal,P4/mmm [123],-0.022,0.045,AGA search,1.98,2.11,c,0.67,.,.,.,.,DFT,MS
MMD-451,FeCo5N,2,14,tetragonal,P4mm [99],0.015,0.053,AGA search,1.49,1.65,c,0.6,.,.,.,.,DFT,MS
MMD-452,Fe2Co4N,2,14,tetragonal,P4/mmm [123],-0.017,0.041,AGA search,1.57,1.72,c,0.54,.,.,.,.,DFT,MS
MMD-453,Fe3Co3N,2,14,orthorhombic,Pmmm [47],-0.019,0.058,AGA search,1.59,1.74,a,-0.7,0.01,0.71,.,.,DFT,MS
MMD-454,Fe3Co3N,2,14,tetragonal,P-4m2 [115],-0.018,0.059,AGA search,1.59,1.74,c,0.69,.,.,.,.,DFT,MS
MMD-455,Fe3Co3N,2,14,orthorhombic,Pmm2 [25],-0.018,0.059,AGA search,1.6,1.76,c,0.88,1.08,0.2,.,.,DFT,MS
MMD-456,Fe4Co2N,2,14,tetragonal,P4mm [99],-0.019,0.066,AGA search,1.83,1.97,c,1.57,.,.,.,.,DFT,MS
MMD-457,Fe4Co2N,2,14,tetragonal,P4/mmm [123],-0.02,0.065,AGA search,1.89,2.02,c,1.82,.,.,.,.,DFT,MS
MMD-458,Fe4Co2N,2,14,orthorhombic,Pmmm [47],-0.016,0.069,AGA search,1.74,1.89,a,-0.52,-1.19,-0.67,.,.,DFT,MS
MMD-459,Fe4Co2N,2,14,tetragonal,P4mm [99],-0.015,0.07,AGA search,1.72,1.88,c,1.04,.,.,.,.,DFT,MS
MMD-460,Fe4Co2N,2,14,tetragonal,P4mm [99],-0.014,0.072,AGA search,1.76,1.91,c,0.58,.,.,.,.,DFT,MS
MMD-461,Fe4Co2N,2,14,tetragonal,P4/mmm [123],-0.012,0.073,AGA search,1.77,1.92,c,0.42,.,.,.,.,DFT,MS
MMD-462,Fe4Co2N,4,28,orthorhombic,Imm2 [44],-0.018,0.067,AGA search,1.86,2.02,c,0.97,1.7,0.73,.,.,DFT,MS
MMD-463,Fe5Co2N,4,32,orthorhombic,Amm2 [38],-0.024,0.056,AGA search,1.95,2.09,c,0.82,0.77,-0.06,.,.,DFT,MS
MMD-464,Fe5Co2N,4,32,orthorhombic,Amm2 [38],-0.021,0.058,AGA search,1.92,2.06,c,0.94,0.93,-0.02,.,.,DFT,MS
MMD-465,Fe6CoN,4,32,orthorhombic,Amm2 [38],-0.024,0.036,AGA search,2.04,2.17,c,0.2,0.09,-0.12,.,.,DFT,MS
MMD-466,Fe6CoN,4,32,orthorhombic,Amm2 [38],-0.021,0.038,AGA search,2.04,2.14,c,0.48,0.53,0.05,.,.,DFT,MS
MMD-467,Fe6CoN,4,32,orthorhombic,Cmcm [63],-0.019,0.04,AGA search,2.01,2.15,c,0.28,-0.69,-0.97,.,.,DFT,MS
MMD-468,FeCo6N,4,32,orthorhombic,Amm2 [38],0.019,0.052,AGA search,1.49,1.65,.,.,.,.,.,.,DFT,MS
MMD-469,FeCo6N,4,32,orthorhombic,Cmmm [65],0.021,0.055,AGA search,1.48,1.63,c,0.51,-0.02,-0.53,.,.,DFT,MS
MMD-470,Fe2Co5N,4,32,orthorhombic,Cmmm [65],-0.007,0.044,AGA search,1.59,1.74,c,0.08,-0.16,-0.24,.,.,DFT,MS
MMD-471,Fe3Co4N,4,32,orthorhombic,Amm2 [38],-0.007,0.06,AGA search,1.61,1.75,c,0.34,0.47,0.13,.,.,DFT,MS
MMD-472,Fe3Co4N,4,32,orthorhombic,Cmmm [65],-0.009,0.059,AGA search,1.62,1.76,c,0.1,-0.41,-0.51,.,.,DFT,MS
MMD-473,Fe4Co3N,4,32,orthorhombic,Amm2 [38],-0.018,0.067,AGA search,1.84,1.99,c,1.61,1.56,-0.05,.,.,DFT,MS
MMD-474,Fe4Co3N,4,32,orthorhombic,Amm2 [38],-0.016,0.069,AGA search,1.82,1.96,c,1.38,1.37,-0.01,.,.,DFT,MS
MMD-475,Fe5Co3N,2,18,tetragonal,I-4m2 [119],-0.02,0.063,AGA search,1.91,2.03,c,1.09,.,.,.,.,DFT,MS
MMD-476,Fe5Co3N,1,9,tetragonal,P4mm [99],-0.017,0.065,AGA search,1.93,2.05,c,1.46,.,.,.,.,DFT,MS
MMD-477,Fe11Co5N2,1,18,tetragonal,P-4m2 [115],-0.02,0.059,AGA search,1.93,2.05,c,0.79,.,.,.,.,DFT,MS
MMD-478,Fe11Co5N2,1,18,orthorhombic,Pmm2 [25],-0.018,0.061,AGA search,1.92,2.04,c,1.28,1.26,-0.02,.,.,DFT,MS
MMD-479,Fe6Co2N,2,18,tetragonal,I4/mmm [139],-0.023,0.051,AGA search,1.96,2.07,c,0.79,.,.,.,.,DFT,MS
MMD-480,Fe13Co3N2,1,18,tetragonal,P4mm [99],-0.022,0.042,AGA search,1.98,2.09,c,1.14,.,.,.,.,DFT,MS
MMD-481,Fe13Co3N2,1,18,tetragonal,P-4m2 [115],-0.021,0.043,AGA search,1.98,2.09,c,1.22,.,.,.,.,DFT,MS
MMD-482,Fe7CoN,2,18,tetragonal,P4/nmm [129],-0.024,0.029,AGA search,2.01,2.11,c,1.17,.,.,.,.,DFT,MS
MMD-483,Fe7CoN,2,18,tetragonal,P4/mmm [123],-0.023,0.03,AGA search,2.03,2.13,c,1.03,.,.,.,.,DFT,MS
MMD-484,Fe15CoN2,1,18,tetragonal,P-4m2 [115],-0.025,0.017,AGA search,2.1,2.19,c,0.95,.,.,.,.,DFT,MS
MMD-485,FeCo7N,2,18,tetragonal,P4/nmm [129],0.008,0.037,AGA search,1.37,1.53,ab plane,-0.16,.,.,.,.,DFT,MS
MMD-486,FeCo7N,4,36,cubic,F-43m [216],0.008,0.038,AGA search,1.37,1.53,<111>,.,.,.,-0.01,.,DFT,MS
MMD-487,Fe3Co13N2,1,18,tetragonal,P-4m2 [115],-0.009,0.028,AGA search,1.4,1.56,c,0.07,.,.,.,.,DFT,MS
MMD-488,Fe2Co6N,4,36,cubic,Fm-3m [225],-0.028,0.017,AGA search,1.41,1.57,<111>,.,.,.,0,.,DFT,MS
MMD-489,Fe5Co11N2,1,18,tetragonal,P4mm [99],-0.021,0.031,AGA search,1.41,1.56,c,0.2,.,.,.,.,DFT,MS
MMD-490,Fe3Co5N,2,18,tetragonal,I4mm [107],-0.015,0.045,AGA search,1.41,1.57,c,0.36,.,.,.,.,DFT,MS
MMD-491,Fe3Co5N,2,18,tetragonal,P4/mmm [123],-0.014,0.045,AGA search,1.42,1.58,c,0.29,.,.,.,.,DFT,MS
MMD-492,Fe7Co9N2,1,18,tetragonal,P4mm [99],-0.008,0.06,AGA search,1.46,1.62,c,0.14,.,.,.,.,DFT,MS
MMD-493,Fe4Co4N,1,9,tetragonal,P4/mmm [123],-0.019,0.056,AGA search,1.84,1.97,c,1.64,.,.,.,.,DFT,MS
MMD-494,Fe9Co7N2,1,18,tetragonal,P-4m2 [115],-0.017,0.066,AGA search,1.87,2,c,1.49,.,.,.,.,DFT,MS
MMD-495,Fe9Co7N2,1,18,tetragonal,P4mm [99],-0.014,0.069,AGA search,1.85,1.98,c,1.82,.,.,.,.,DFT,MS
MMD-496,ZrCo6,2,14,tetragonal,I4/mmm [139],-0.115,0.048,AGA search,1.16,1.09,ab plane,-1.63,.,.,.,.,DFT,MS
MMD-497,ZrCo6,2,14,triclinic,P-1 [2],-0.091,0.072,AGA search,1.15,1.09,.,.,.,.,.,.,DFT,MS
MMD-498,ZrCo7,2,16,triclinic,P-1 [2],-0.071,0.072,AGA search,1.2,1.16,.,.,.,.,.,.,DFT,MS
MMD-499,ZrCo8,2,18,triclinic,P-1 [2],-0.06,0.067,AGA search,1.25,1.21,.,.,.,.,.,.,DFT,MS
MMD-500,ZrCo9,6,60,trigonal,R-3 [148],-0.06,0.054,AGA search,1.3,1.28,c,0.3,.,.,.,.,DFT,MS
MMD-501,ZrCo9,2,20,triclinic,P-1 [2],-0.059,0.055,AGA search,1.28,1.26,.,.,.,.,.,.,DFT,MS
MMD-502,ZrCo9,2,20,triclinic,P-1 [2],-0.058,0.056,AGA search,1.27,1.25,.,.,.,.,.,.,DFT,MS
MMD-503,ZrCo6,2,14,tetragonal,I4/mmm [139],-0.115,0.048,AGA search,1.15,1.09,ab plane,-1.63,.,.,.,.,DFT,MS
MMD-504,ZrCo6,4,28,monoclinic,C2/c [15],-0.106,0.057,AGA search,1.16,1.1,c,0.75,0.57,-0.18,.,.,DFT,MS
MMD-505,ZrCo6,4,28,monoclinic,C2/c [15],-0.106,0.057,AGA search,1.16,1.1,c,0.74,0.57,-0.16,.,.,DFT,MS
MMD-506,ZrCo6,6,42,tetragonal,I4/mmm [139],-0.115,0.049,AGA search,1.16,1.1,a,0,1.59,1.59,.,.,DFT,MS
MMD-507,ZrCo6,2,14,tetragonal,I4/mmm [139],-0.115,0.048,AGA search,1.15,1.09,ab plane,-1.61,.,.,.,.,DFT,MS
MMD-508,ZrCo6,2,14,tetragonal,I4/mmm [139],-0.115,0.048,AGA search,1.15,1.09,ab plane,-1.64,.,.,.,.,DFT,MS
MMD-509,ZrCo6,2,14,tetragonal,I4/mmm [139],-0.115,0.049,AGA search,1.15,1.09,ab plane,-1.64,.,.,.,.,DFT,MS
MMD-510,ZrCo7,4,32,monoclinic,C2/m [12],-0.072,0.071,AGA search,1.25,1.2,b,-0.94,-1.42,-0.47,.,.,DFT,MS
MMD-511,ZrCo7,4,32,monoclinic,C2/m [12],-0.072,0.071,AGA search,1.25,1.2,b,-0.94,-1.42,-0.48,.,.,DFT,MS
MMD-512,ZrCo7,2,16,triclinic,P-1 [2],-0.071,0.072,AGA search,1.21,1.16,.,.,.,.,.,.,DFT,MS
MMD-513,ZrCo7,3,24,triclinic,P1 [1],-0.078,0.065,AGA search,1.23,1.18,.,.,.,.,.,.,DFT,MS
MMD-514,ZrCo7,4,32,triclinic,P-1 [2],-0.085,0.058,AGA search,1.2,1.16,.,.,.,.,.,.,DFT,MS
MMD-515,ZrCo8,2,18,triclinic,P-1 [2],-0.054,0.073,AGA search,1.25,1.21,.,.,.,.,.,.,DFT,MS
MMD-516,ZrCo8,2,18,triclinic,P-1 [2],-0.054,0.073,AGA search,1.25,1.21,.,.,.,.,.,.,DFT,MS
MMD-517,ZrCo8,2,18,triclinic,P-1 [2],-0.053,0.074,AGA search,1.24,1.21,.,.,.,.,.,.,DFT,MS
MMD-518,ZrCo8,2,18,triclinic,P-1 [2],-0.053,0.074,AGA search,1.28,1.24,.,.,.,.,.,.,DFT,MS
MMD-519,ZrCo8,6,54,monoclinic,Cm [8],-0.061,0.066,AGA search,1.27,1.23,b,-0.05,-0.15,-0.11,.,.,DFT,MS
MMD-520,ZrCo8,4,36,triclinic,P-1 [2],-0.072,0.055,AGA search,1.27,1.23,.,.,.,.,.,.,DFT,MS
MMD-521,ZrCo9,6,60,trigonal,R-3 [148],-0.06,0.054,AGA search,1.3,1.28,c,0.3,.,.,.,.,DFT,MS
MMD-522,ZrCo9,2,20,triclinic,P-1 [2],-0.059,0.055,AGA search,1.28,1.26,.,.,.,.,.,.,DFT,MS
MMD-523,ZrCo9,3,30,triclinic,P1 [1],-0.039,0.076,AGA search,1.3,1.27,.,.,.,.,.,.,DFT,MS
MMD-524,ZrCo9,4,40,triclinic,P-1 [2],-0.059,0.055,AGA search,1.28,1.26,.,.,.,.,.,.,DFT,MS
MMD-525,Zr2Co8B,2,22,orthorhombic,Amm2 [38],-0.238,0.057,AGA search,0.68,0.64,a,-0.69,0.2,0.9,.,.,DFT,MS
MMD-526,Zr2Co12B,2,30,orthorhombic,Cmmm [65],-0.15,0.067,AGA search,0.9,0.88,c,0.67,-0.11,-0.78,.,.,DFT,MS
MMD-527,Zr2Co14B,1,17,triclinic,P1 [1],-0.108,0.083,AGA search,1.07,1.05,.,.,.,.,.,.,DFT,MS
MMD-528,Zr2Co8C,2,22,orthorhombic,Cmmm [65],-0.186,0.085,AGA search,0.58,0.56,c,0.19,0.18,-0.01,.,.,DFT,MS
MMD-529,Zr2Co11C,1,14,triclinic,P1 [1],-0.075,0.138,AGA search,0.93,0.9,.,.,.,.,.,.,DFT,MS
MMD-530,Zr2Co14C,2,34,tetragonal,I4/mmm [139],-0.102,0.074,AGA search,0.94,0.94,.,.,.,.,.,.,DFT,MS
MMD-531,Zr2Co8N,2,22,monoclinic,Cm [8],-0.25,0.256,AGA search,0.9,0.85,a,-0.46,0.28,0.74,.,.,DFT,MS
MMD-532,Zr2Co11N,1,14,triclinic,P1 [1],-0.145,0.186,AGA search,1.01,0.97,.,.,.,.,.,.,DFT,MS
MMD-533,Zr2Co12N,1,15,triclinic,P1 [1],-0.147,0.162,AGA search,1.11,1.07,.,.,.,.,.,.,DFT,MS
MMD-534,Zr2Co10B,2,26,triclinic,P1 [1],-0.201,0.049,AGA search,0.83,0.81,.,.,.,.,.,.,DFT,MS
MMD-535,Zr2Co10B,2,26,triclinic,P1 [1],-0.201,0.049,AGA search,0.83,0.81,.,.,.,.,.,.,DFT,MS
MMD-536,Zr2Co11B,2,28,monoclinic,P2_1/m [11],-0.165,0.067,AGA search,0.9,0.88,.,.,.,.,.,.,DFT,MS
MMD-537,Zr2Co11B,2,28,triclinic,P-1 [2],-0.162,0.07,AGA search,0.93,0.91,.,.,.,.,.,.,DFT,MS
MMD-538,Zr2Co12B,2,30,triclinic,P-1 [2],-0.148,0.068,AGA search,0.97,0.95,.,.,.,.,.,.,DFT,MS
MMD-539,Zr2Co12B,2,30,triclinic,P-1 [2],-0.149,0.068,AGA search,0.99,0.97,.,.,.,.,.,.,DFT,MS
MMD-540,Zr2Co12B,2,30,triclinic,P-1 [2],-0.149,0.068,AGA search,0.99,0.97,.,.,.,.,.,.,DFT,MS
MMD-541,Zr2Co12B,2,30,triclinic,P-1 [2],-0.146,0.07,AGA search,1.01,0.97,.,.,.,.,.,.,DFT,MS
MMD-542,Zr2Co13B,2,32,triclinic,P1 [1],-0.143,0.06,AGA search,0.99,0.97,.,.,.,.,.,.,DFT,MS
MMD-543,Zr2Co14B,2,34,monoclinic,P2_1/m [11],-0.127,0.064,AGA search,1.02,1.02,.,.,.,.,.,.,DFT,MS
MMD-544,Zr2Co14B,2,34,monoclinic,P2_1/m [11],-0.127,0.064,AGA search,1.02,1.02,c,0.35,0.64,0.28,.,.,DFT,MS
MMD-545,Zr2Co15B,2,36,triclinic,P1 [1],-0.104,0.076,AGA search,1.13,1.12,.,.,.,.,.,.,DFT,MS
MMD-546,Zr2Co16B,2,38,monoclinic,Cm [8],-0.109,0.062,AGA search,1.1,1.09,.,.,.,.,.,.,DFT,MS
MMD-547,Zr2Co16B,2,38,triclinic,P-1 [2],-0.106,0.065,AGA search,1.13,1.12,.,.,.,.,.,.,DFT,MS
MMD-548,Zr2Co17B,2,40,monoclinic,C2/c [15],-0.132,0.03,AGA search,1.15,1.15,.,.,.,.,.,.,DFT,MS
MMD-549,Zr2Co18B,2,42,monoclinic,Cm [8],-0.104,0.05,AGA search,1.18,1.17,.,.,.,.,.,.,DFT,MS
MMD-550,Zr2Co8B,2,22,triclinic,P1 [1],-0.261,0.034,AGA search,0.67,0.64,.,.,.,.,.,.,DFT,MS
MMD-551,Zr2Co8B,2,22,triclinic,P1 [1],-0.262,0.033,AGA search,0.7,0.67,.,.,.,.,.,.,DFT,MS
MMD-552,Zr2Co8B,2,22,triclinic,P1 [1],-0.262,0.033,AGA search,0.7,0.67,.,.,.,.,.,.,DFT,MS
MMD-553,Zr2Co8B,2,22,triclinic,P1 [1],-0.262,0.033,AGA search,0.7,0.67,.,.,.,.,.,.,DFT,MS
MMD-554,Zr2Co8B,2,22,triclinic,P1 [1],-0.262,0.033,AGA search,0.7,0.67,.,.,.,.,.,.,DFT,MS
MMD-555,Zr2Co8C,2,22,orthorhombic,Cmmm [65],-0.185,0.086,AGA search,0.58,0.56,c,0.18,0.17,-0.01,.,.,DFT,MS
MMD-556,Zr2Co10C,2,26,monoclinic,Cm [8],-0.153,0.076,AGA search,0.75,0.74,c,0.73,0.37,-0.36,.,.,DFT,MS
MMD-557,Zr2Co10C,2,26,monoclinic,Cm [8],-0.153,0.076,AGA search,0.76,0.74,c,0.71,0.38,-0.34,.,.,DFT,MS
MMD-558,Zr2Co10C,2,26,monoclinic,Cm [8],-0.153,0.076,AGA search,0.75,0.74,c,0.71,0.38,-0.33,.,.,DFT,MS
MMD-559,Zr2Co10C,1,13,monoclinic,Cm [8],-0.153,0.076,AGA search,0.75,0.74,.,.,.,.,.,.,DFT,MS
MMD-560,Zr2Co11C,2,28,triclinic,P1 [1],-0.131,0.082,AGA search,0.89,0.86,.,.,.,.,.,.,DFT,MS
MMD-561,Zr2Co12C,2,30,triclinic,P1 [1],-0.11,0.089,AGA search,0.92,0.9,.,.,.,.,.,.,DFT,MS
MMD-562,Zr2Co13C,2,32,monoclinic,P2_1 [4],-0.091,0.095,AGA search,1.03,1.01,c,0.46,0.02,-0.44,.,.,DFT,MS
MMD-563,Zr2Co14C,2,34,triclinic,P-1 [2],-0.086,0.09,AGA search,1.1,1.08,.,.,.,.,.,.,DFT,MS
MMD-564,Zr2Co16C,2,38,triclinic,P1 [1],-0.06,0.098,AGA search,1.14,1.13,.,.,.,.,.,.,DFT,MS
MMD-565,Zr2Co18C,2,42,triclinic,P1 [1],-0.04,0.102,AGA search,1.15,1.14,.,.,.,.,.,.,DFT,MS
MMD-566,Zr2Co18C,2,42,triclinic,P1 [1],-0.039,0.103,AGA search,1.15,1.14,.,.,.,.,.,.,DFT,MS
MMD-567,Zr2Co10N,2,26,triclinic,P1 [1],-0.215,0.133,AGA search,1.06,1.01,.,.,.,.,.,.,DFT,MS
MMD-568,Zr2Co11N,2,28,triclinic,P-1 [2],-0.205,0.145,AGA search,1.09,1.07,.,.,.,.,.,.,DFT,MS
MMD-569,Zr2Co12N,2,30,orthorhombic,Cmcm [63],-0.213,0.157,AGA search,1.14,1.11,b,0.17,-0.01,-0.17,.,.,DFT,MS
MMD-570,Zr2Co13N,2,32,triclinic,P-1 [2],-0.157,0.136,AGA search,1.19,1.15,.,.,.,.,.,.,DFT,MS
MMD-571,Zr2Co14N,2,34,triclinic,P1 [1],-0.128,0.198,AGA search,1.19,1.17,.,.,.,.,.,.,DFT,MS
MMD-572,Zr2Co14N,2,34,triclinic,P1 [1],-0.136,0.198,AGA search,1.2,1.17,.,.,.,.,.,.,DFT,MS
MMD-573,Zr2Co10B,1,13,triclinic,P1 [1],-0.19,0.06,AGA search,0.82,0.8,.,.,.,.,.,.,DFT,MS
MMD-574,Zr2Co10B,1,13,tetragonal,P4/mmm [123],-0.186,0.063,AGA search,0.8,0.78,ab plane,-0.09,.,.,.,.,DFT,MS
MMD-575,Zr2Co11B,1,14,triclinic,P1 [1],-0.149,0.082,AGA search,0.9,0.87,.,.,.,.,.,.,DFT,MS
MMD-576,Zr2Co11B,1,14,triclinic,P1 [1],-0.149,0.083,AGA search,0.9,0.87,.,.,.,.,.,.,DFT,MS
MMD-577,Zr2Co11B,1,14,triclinic,P1 [1],-0.149,0.083,AGA search,0.9,0.87,.,.,.,.,.,.,DFT,MS
MMD-578,Zr2Co13B,1,16,triclinic,P-1 [2],-0.124,0.078,AGA search,0.99,0.97,.,.,.,.,.,.,DFT,MS
MMD-579,Zr2Co13B,1,16,triclinic,P-1 [2],-0.124,0.078,AGA search,0.98,0.97,.,.,.,.,.,.,DFT,MS
MMD-580,Zr2Co13B,1,16,triclinic,P1 [1],-0.124,0.079,AGA search,0.99,0.97,.,.,.,.,.,.,DFT,MS
MMD-581,Zr2Co13B,1,16,triclinic,P1 [1],-0.123,0.08,AGA search,0.98,0.97,.,.,.,.,.,.,DFT,MS
MMD-582,Zr2Co16B,2,38,monoclinic,C2/m [12],-0.127,0.043,AGA search,1.11,1.1,a,-0.22,-0.14,0.08,.,.,DFT,MS
MMD-583,Zr2Co16B,2,38,monoclinic,C2/m [12],-0.127,0.043,AGA search,1.11,1.1,a,-0.23,-0.14,0.09,.,.,DFT,MS
MMD-584,Zr2Co10C,1,13,tetragonal,P4/mmm [123],-0.153,0.076,AGA search,0.76,0.75,ab plane,-0.01,.,.,.,.,DFT,MS
MMD-585,Zr2Co10C,1,13,tetragonal,P4/mmm [123],-0.152,0.077,AGA search,0.76,0.74,c,0.02,.,.,.,.,DFT,MS
MMD-586,Zr2Co10C,2,26,tetragonal,P4/mmm [123],-0.152,0.078,AGA search,0.76,0.74,a,-0.08,-0.09,-0.01,.,.,DFT,MS
MMD-587,Zr2Co12C,2,30,monoclinic,Cm [8],-0.105,0.094,AGA search,0.96,0.93,a,-0.43,0.1,0.53,.,.,DFT,MS
MMD-588,Zr2Co12C,1,15,monoclinic,Cm [8],-0.105,0.094,AGA search,0.95,0.93,.,.,.,.,.,.,DFT,MS
MMD-589,Zr2Co12C,1,15,monoclinic,Cm [8],-0.105,0.094,AGA search,0.95,0.93,.,.,.,.,.,.,DFT,MS
MMD-590,Zr2Co13C,1,16,triclinic,P1 [1],-0.092,0.094,AGA search,1.05,1.02,.,.,.,.,.,.,DFT,MS
MMD-591,Zr2Co13C,1,16,triclinic,P-1 [2],-0.09,0.096,AGA search,1.06,1.04,.,.,.,.,.,.,DFT,MS
MMD-592,Zr2Co16C,1,19,triclinic,P1 [1],-0.052,0.105,AGA search,1.07,1.06,.,.,.,.,.,.,DFT,MS
MMD-593,Zr(Co3N)2,2,18,monoclinic,P2_1/m [11],-0.164,0.171,AGA search,1,1,a,-0.7,0.21,0.91,.,.,DFT,MS
MMD-594,Zr(Co3N)2,2,18,triclinic,P-1 [2],-0.163,0.238,AGA search,0.84,0.89,.,.,.,.,.,.,DFT,MS
MMD-595,Zr(Co3N)2,2,18,triclinic,P-1 [2],-0.164,0.238,AGA search,0.83,0.89,.,.,.,.,.,.,DFT,MS
MMD-596,Zr(Co3N)2,2,18,triclinic,P-1 [2],-0.163,0.146,AGA search,0.84,0.89,.,.,.,.,.,.,DFT,MS
MMD-597,Zr(Co3N)2,2,18,triclinic,P-1 [2],-0.163,0.134,AGA search,0.84,0.89,.,.,.,.,.,.,DFT,MS
MMD-598,Zr2Co8B,2,22,orthorhombic,Amm2 [38],-0.238,0.057,AGA search,0.67,0.64,a,-0.48,0.49,0.97,.,.,DFT,MS
MMD-599,Zr2Co8B,1,11,orthorhombic,Cmmm [65],-0.229,0.067,AGA search,0.6,0.57,.,.,.,.,.,.,DFT,MS
MMD-600,Zr2Co12B,2,30,orthorhombic,Cmmm [65],-0.15,0.066,AGA search,0.9,0.88,c,0.69,-0.12,-0.81,.,.,DFT,MS
MMD-601,Zr2Co14B,1,17,triclinic,P1 [1],-0.106,0.085,AGA search,1.07,1.05,.,.,.,.,.,.,DFT,MS
MMD-602,Zr2Co14B,1,17,triclinic,P1 [1],-0.108,0.083,AGA search,1.07,1.05,.,.,.,.,.,.,DFT,MS
MMD-603,Zr2Co15B,2,36,monoclinic,Cm [8],-0.123,0.057,AGA search,1.09,1.08,c,0.26,0.1,-0.16,.,.,DFT,MS
MMD-604,Zr2Co15B,1,18,monoclinic,Cm [8],-0.123,0.057,AGA search,1.09,1.08,.,.,.,.,.,.,DFT,MS
MMD-605,Zr2Co17B,2,40,monoclinic,Cm [8],-0.071,0.092,AGA search,1.12,1.12,c,0.79,0.97,0.18,.,.,DFT,MS
MMD-606,Zr2Co17B,1,20,triclinic,P1 [1],-0.067,0.095,AGA search,1.13,1.14,.,.,.,.,.,.,DFT,MS
MMD-607,Zr2Co17B,2,40,monoclinic,Cm [8],-0.07,0.092,AGA search,1.14,1.14,c,0.05,0.15,0.1,.,.,DFT,MS
MMD-608,Zr2Co17B,1,20,triclinic,P1 [1],-0.067,0.095,AGA search,1.13,1.14,.,.,.,.,.,.,DFT,MS
MMD-609,Zr2Co8C,2,22,orthorhombic,Cmmm [65],-0.186,0.085,AGA search,0.58,0.56,c,0.21,0.2,-0.01,.,.,DFT,MS
MMD-610,Zr2Co8C,2,22,orthorhombic,Cmmm [65],-0.186,0.085,AGA search,0.58,0.56,c,0.09,0.29,0.2,.,.,DFT,MS
MMD-611,Zr2Co8C,2,22,orthorhombic,Cmmm [65],-0.186,0.085,AGA search,0.58,0.56,c,0.25,0.23,-0.02,.,.,DFT,MS
MMD-612,Zr2Co8C,2,22,orthorhombic,Cmmm [65],-0.186,0.085,AGA search,0.58,0.56,c,0.21,0.2,-0.01,.,.,DFT,MS
MMD-613,Zr2Co8C,2,22,orthorhombic,Cmmm [65],-0.186,0.086,AGA search,0.58,0.56,c,0.2,0.2,-0.01,.,.,DFT,MS
MMD-614,Zr2Co8C,2,22,orthorhombic,Cmmm [65],-0.186,0.085,AGA search,0.58,0.56,c,0.18,0.15,-0.03,.,.,DFT,MS
MMD-615,Zr2Co8C,2,22,orthorhombic,Cmmm [65],-0.186,0.085,AGA search,0.58,0.56,c,0.2,0.21,0,.,.,DFT,MS
MMD-616,Zr2Co8C,2,22,orthorhombic,Cmmm [65],-0.186,0.085,AGA search,0.58,0.56,a,-0.27,-0.03,0.23,.,.,DFT,MS
MMD-617,Zr2Co8C,2,22,orthorhombic,Cmmm [65],-0.186,0.085,AGA search,0.58,0.56,c,0.29,0.23,-0.06,.,.,DFT,MS
MMD-618,Zr2Co8C,2,22,orthorhombic,Cmmm [65],-0.186,0.085,AGA search,0.58,0.56,a,-0.15,0.06,0.2,.,.,DFT,MS
MMD-619,Zr2Co8C,2,22,orthorhombic,Cmmm [65],-0.186,0.086,AGA search,0.58,0.56,c,0.21,0.24,0.03,.,.,DFT,MS
MMD-620,Zr2Co11C,2,28,monoclinic,C2 [5],-0.126,0.087,AGA search,0.96,0.93,a,-0.56,-0.39,0.17,.,.,DFT,MS
MMD-621,Zr2Co11C,1,14,triclinic,P1 [1],-0.126,0.087,AGA search,0.95,0.92,.,.,.,.,.,.,DFT,MS
MMD-622,Zr2Co11C,1,14,triclinic,P1 [1],-0.129,0.085,AGA search,0.96,0.93,.,.,.,.,.,.,DFT,MS
MMD-623,Zr2Co11C,1,14,triclinic,P1 [1],-0.127,0.086,AGA search,0.97,0.94,.,.,.,.,.,.,DFT,MS
MMD-624,Zr2Co11C,1,14,triclinic,P1 [1],-0.127,0.086,AGA search,0.95,0.92,.,.,.,.,.,.,DFT,MS
MMD-625,Zr2Co11C,1,14,triclinic,P1 [1],-0.128,0.085,AGA search,0.96,0.93,.,.,.,.,.,.,DFT,MS
MMD-626,Zr2Co11C,1,14,triclinic,P1 [1],-0.128,0.085,AGA search,0.96,0.93,.,.,.,.,.,.,DFT,MS
MMD-627,Zr2Co14C,2,34,tetragonal,I4/mmm [139],-0.102,0.074,AGA search,0.94,0.94,.,.,.,.,.,.,DFT,MS
MMD-628,Zr2Co15C,2,36,monoclinic,Cm [8],-0.067,0.099,AGA search,1.07,1.05,c,0.47,0.86,0.39,.,.,DFT,MS
MMD-629,Zr2Co15C,1,18,triclinic,P1 [1],-0.064,0.101,AGA search,1.05,1.04,.,.,.,.,.,.,DFT,MS
MMD-630,Zr2Co17C,2,40,monoclinic,C2/m [12],-0.077,0.072,AGA search,1.18,1.16,b,0.09,-0.46,-0.55,.,.,DFT,MS
MMD-631,Zr2Co17C,2,40,monoclinic,Cm [8],-0.075,0.074,AGA search,1.18,1.16,b,0.02,-0.21,-0.23,.,.,DFT,MS
MMD-632,Zr2Co17C,2,40,monoclinic,Cm [8],-0.076,0.074,AGA search,1.18,1.16,b,0.02,-0.23,-0.25,.,.,DFT,MS
MMD-633,Zr2Co18C,2,42,tetragonal,I4mm [107],-0.041,0.101,AGA search,1.1,1.11,a,-0.34,-0.34,0.01,.,.,DFT,MS
MMD-634,Zr2Co18C,2,42,orthorhombic,Cmm2 [35],-0.041,0.101,AGA search,1.09,1.1,a,-0.28,-0.03,0.25,.,.,DFT,MS
MMD-635,Zr2Co14C,3,51,triclinic,P1 [1],-0.086,0.089,AGA search,1.04,1.02,.,.,.,.,.,.,DFT,MS
MMD-636,Zr2Co14C,3,51,triclinic,P1 [1],-0.08,0.095,AGA search,1.02,1.01,.,.,.,.,.,.,DFT,MS
MMD-637,Zr2Co14C,3,51,triclinic,P1 [1],-0.078,0.097,AGA search,1.04,1.03,.,.,.,.,.,.,DFT,MS
MMD-638,Zr2Co14C,3,51,triclinic,P1 [1],-0.08,0.095,AGA search,1.05,1.03,.,.,.,.,.,.,DFT,MS
MMD-639,Zr2Co14C,3,51,triclinic,P1 [1],-0.078,0.097,AGA search,1.04,1.03,.,.,.,.,.,.,DFT,MS
MMD-640,Zr2Co8N,2,22,monoclinic,Cm [8],-0.25,0.096,AGA search,0.9,0.85,a,-0.55,0.27,0.81,.,.,DFT,MS
MMD-641,Zr2Co11N,1,14,triclinic,P1 [1],-0.145,0.186,AGA search,1.01,0.97,.,.,.,.,.,.,DFT,MS
MMD-642,Zr2Co11N,1,14,triclinic,P1 [1],-0.146,0.186,AGA search,1,0.96,.,.,.,.,.,.,DFT,MS
MMD-643,Zr2Co11N,1,14,triclinic,P1 [1],-0.145,0.186,AGA search,1.01,0.97,.,.,.,.,.,.,DFT,MS
MMD-644,Zr2Co11N,1,14,triclinic,P1 [1],-0.145,0.186,AGA search,1,0.96,.,.,.,.,.,.,DFT,MS
MMD-645,Zr2Co11N,1,14,triclinic,P1 [1],-0.145,0.186,AGA search,1.01,0.97,.,.,.,.,.,.,DFT,MS
MMD-646,Zr2Co11N,1,14,triclinic,P1 [1],-0.145,0.163,AGA search,1,0.97,.,.,.,.,.,.,DFT,MS
MMD-647,Zr2Co11N,1,14,triclinic,P1 [1],-0.145,0.163,AGA search,1,0.97,.,.,.,.,.,.,DFT,MS
MMD-648,Zr2Co12N,1,15,triclinic,P1 [1],-0.146,0.163,AGA search,1.1,1.07,.,.,.,.,.,.,DFT,MS
MMD-649,Zr2Co12N,1,15,triclinic,P1 [1],-0.147,0.163,AGA search,1.1,1.07,.,.,.,.,.,.,DFT,MS
MMD-650,Zr2Co12N,1,15,triclinic,P1 [1],-0.146,0.163,AGA search,1.11,1.07,.,.,.,.,.,.,DFT,MS
MMD-651,Zr2Co12N,1,15,triclinic,P1 [1],-0.147,0.162,AGA search,1.1,1.07,.,.,.,.,.,.,DFT,MS
MMD-652,Zr2Co12N,1,15,triclinic,P1 [1],-0.146,0.206,AGA search,1.1,1.07,.,.,.,.,.,.,DFT,MS
MMD-653,Zr2Co12N,1,15,triclinic,P1 [1],-0.147,0.182,AGA search,1.1,1.07,.,.,.,.,.,.,DFT,MS
MMD-654,Zr2Co14N,1,17,triclinic,P1 [1],-0.09,0.188,AGA search,1.15,1.11,.,.,.,.,.,.,DFT,MS
MMD-655,Zr2Co14N,1,17,triclinic,P1 [1],-0.095,0.194,AGA search,1.17,1.14,.,.,.,.,.,.,DFT,MS
MMD-656,Zr2Co14N,1,17,triclinic,P1 [1],-0.085,0.202,AGA search,1.23,1.19,.,.,.,.,.,.,DFT,MS
MMD-657,Zr2Co14N,1,17,triclinic,P1 [1],-0.078,0.19,AGA search,1.21,1.17,.,.,.,.,.,.,DFT,MS
MMD-658,Zr2Co14N,1,17,triclinic,P1 [1],-0.07,0.206,AGA search,1.22,1.18,.,.,.,.,.,.,DFT,MS
MMD-659,Zr2Co14N,1,17,triclinic,P1 [1],-0.083,0.238,AGA search,1.22,1.18,.,.,.,.,.,.,DFT,MS
MMD-660,Zr2Co15N,1,18,triclinic,P-1 [2],-0.112,0.188,AGA search,1.2,1.17,.,.,.,.,.,.,DFT,MS
MMD-661,Zr2Co16N,1,19,triclinic,P-1 [2],-0.11,0.138,AGA search,1.16,1.15,.,.,.,.,.,.,DFT,MS
MMD-662,Zr2Co17N,1,20,triclinic,P1 [1],-0.094,0.158,AGA search,1.21,1.2,.,.,.,.,.,.,DFT,MS
MMD-663,Zr2Co17N,1,20,triclinic,P1 [1],-0.093,0.142,AGA search,1.22,1.2,.,.,.,.,.,.,DFT,MS
MMD-664,Zr2Co17N,1,20,triclinic,P1 [1],-0.074,0.126,AGA search,1.15,1.16,.,.,.,.,.,.,DFT,MS
MMD-665,Zr2Co18N,1,21,monoclinic,Pm [6],-0.098,0.171,AGA search,1.26,1.25,a,-0.27,-0.12,0.14,.,.,DFT,MS
MMD-666,ZrCo4N,4,24,orthorhombic,Cmcm [63],-0.385,0.182,AGA search,1.04,1.02,c,0.78,0.73,-0.04,.,.,DFT,MS
MMD-667,ZrCo4N,4,24,orthorhombic,Cmcm [63],-0.384,0.182,AGA search,1.04,1.02,c,0.77,0.73,-0.04,.,.,DFT,MS
MMD-668,ZrCo4N,2,12,orthorhombic,Cmcm [63],-0.384,0.191,AGA search,1.05,1.03,b,-0.07,-0.82,-0.75,.,.,DFT,MS
MMD-669,ZrCo4N,2,12,orthorhombic,Cmcm [63],-0.384,0.21,AGA search,1.05,1.03,b,-0.08,-0.81,-0.73,.,.,DFT,MS
MMD-670,ZrCo5N,2,14,orthorhombic,Pmma [51],-0.318,0.146,AGA search,1.11,1.1,a,-0.34,0.09,0.43,.,.,DFT,MS
MMD-671,ZrCo5N,2,14,monoclinic,P2/c [13],-0.289,0.237,AGA search,1.1,1.09,c,0.88,0.25,-0.63,.,.,DFT,MS
MMD-672,ZrCo5N,4,28,orthorhombic,Ima2 [46],-0.249,0.144,AGA search,1.05,1.05,c,1.3,-0.24,-1.53,.,.,DFT,MS
MMD-673,Zr2Co11N2,2,30,tetragonal,I4/mmm [139],-0.317,0.146,AGA search,1.23,1.22,a,-0.04,-1.58,-1.54,.,.,DFT,MS
MMD-674,ZrCo6N,4,32,monoclinic,C2/m [12],-0.293,0.181,AGA search,1.12,1.1,b,0.04,-0.18,-0.22,.,.,DFT,MS
MMD-675,Zr2Co13N2,1,17,triclinic,P1 [1],-0.205,0.237,AGA search,1.18,1.13,.,.,.,.,.,.,DFT,MS
MMD-676,ZrCo7N,2,18,tetragonal,P4/nmm [129],-0.242,0.159,AGA search,1.32,1.32,c,1.72,1.53,-0.19,.,.,DFT,MS
MMD-677,ZrCo7N,2,18,orthorhombic,Pmn2_1 [31],-0.242,0.159,AGA search,1.32,1.32,a,-0.04,-1.78,-1.74,.,.,DFT,MS
MMD-678,ZrCo7N,2,18,tetragonal,P4/nmm [129],-0.242,0.169,AGA search,1.32,1.32,c,1.73,.,.,.,.,DFT,MS
MMD-679,ZrCo7N,2,18,tetragonal,P4/nmm [129],-0.242,0.169,AGA search,1.32,1.32,c,1.68,.,.,.,.,DFT,MS
MMD-680,Zr2Co15N2,1,19,triclinic,P1 [1],-0.179,0.139,AGA search,1.26,1.28,.,.,.,.,.,.,DFT,MS
MMD-681,ZrCo8N,4,40,orthorhombic,Cmcm [63],-0.206,0.146,AGA search,1.28,1.29,c,0.28,0.15,-0.14,.,.,DFT,MS
MMD-682,Zr2Co8N3,2,26,monoclinic,C2 [5],-0.3,0.144,AGA search,0.67,0.69,b,0.06,-0.2,-0.27,.,.,DFT,MS
MMD-683,Zr(Co2N)2,2,14,monoclinic,P2_1/m [11],-0.345,0.122,AGA search,0.9,0.94,c,1.68,1.97,0.3,.,.,DFT,MS
MMD-684,ZrCo5N2,2,16,triclinic,P-1 [2],-0.245,0.178,AGA search,0.79,0.81,.,.,.,.,.,.,DFT,MS
MMD-685,ZrCo7N2,4,40,monoclinic,C2/m [12],-0.204,0.177,AGA search,0.92,0.99,b,0.19,-0.41,-0.6,.,.,DFT,MS
MMD-686,ZrCo7N2,2,20,orthorhombic,Pmc2_1 [26],-0.202,0.197,AGA search,1.07,1.11,a,-0.61,-2.27,-1.66,.,.,DFT,MS
MMD-687,ZrCo7N2,2,20,orthorhombic,Pmc2_1 [26],-0.202,0.198,AGA search,1.08,1.12,a,-0.63,-0.85,-0.22,.,.,DFT,MS
MMD-688,Zr(Co4N)2,2,22,tetragonal,I-4m2 [119],-0.159,0.086,AGA search,1.14,1.15,c,1.32,.,.,.,.,DFT,MS
MMD-689,Zr(Co4N)2,2,22,tetragonal,I-4m2 [119],-0.159,0.065,AGA search,1.14,1.15,c,1.3,.,.,.,.,DFT,MS
MMD-690,ZrCo9N2,1,12,orthorhombic,Pmm2 [25],-0.12,0.178,AGA search,1,1.03,c,0.04,-0.19,-0.23,.,.,DFT,MS
MMD-691,ZrCo9N2,1,12,orthorhombic,Pmm2 [25],-0.123,0.177,AGA search,0.99,1.02,c,0.41,-0.59,-1.01,.,.,DFT,MS
MMD-692,ZrCo9N2,1,12,orthorhombic,Pmm2 [25],-0.123,0.18,AGA search,0.99,1.02,c,0.41,-0.59,-1,.,.,DFT,MS
MMD-693,ZrCo9N2,1,12,monoclinic,Pm [6],-0.109,0.17,AGA search,1.11,1.14,a,-0.41,0.41,0.82,.,.,DFT,MS
MMD-694,ZrCo9N2,1,12,orthorhombic,Pmm2 [25],-0.123,0.181,AGA search,0.99,1.02,c,0.42,-0.58,-1,.,.,DFT,MS
MMD-695,ZrCo9N2,1,12,orthorhombic,Pmm2 [25],-0.12,0.181,AGA search,1,1.03,a,-0.16,0.04,0.2,.,.,DFT,MS
MMD-696,ZrCo9N2,2,24,orthorhombic,Imm2 [44],-0.119,0.182,AGA search,1.01,1.04,c,0.16,-0.04,-0.2,.,.,DFT,MS
MMD-697,ZrCo9N2,2,24,orthorhombic,Imm2 [44],-0.119,0.182,AGA search,1.02,1.04,c,0.18,-0.03,-0.21,.,.,DFT,MS
MMD-698,ZrCo9N2,1,12,orthorhombic,Pmm2 [25],-0.12,0.146,AGA search,1,1.03,a,-0.02,-0.17,-0.15,.,.,DFT,MS
MMD-699,ZrCo9N2,2,24,orthorhombic,Imm2 [44],-0.119,0.25,AGA search,1.01,1.04,c,0.17,-0.04,-0.21,.,.,DFT,MS
MMD-700,ZrCo9N2,2,24,orthorhombic,Imm2 [44],-0.119,0.149,AGA search,1.01,1.04,c,0.17,-0.04,-0.21,.,.,DFT,MS
MMD-701,Ni8N,4,36,cubic,Fm-3m [225],0.068,0.045,AGA search,0.3,0.34,.,.,.,.,.,.,DFT,MS
MMD-702,Ni8N,2,18,tetragonal,I4/mmm [139],0.114,0.091,AGA search,0.21,0.24,ab plane,-0.53,.,.,.,.,DFT,MS
MMD-703,ZrFe6,2,14,tetragonal,I4/mmm [139],-0.01,0.118,AGA search,1.71,1.54,c,0.04,.,.,.,.,DFT,MS
MMD-704,Ti2(FeCo)3,3,24,hexagonal,P-6m2 [187],-0.228,0.12,AGA search,0.97,0.9,.,.,.,.,.,.,DFT,DOI link
MMD-705,Ti2(FeCo)3,3,24,monoclinic,Cm [8],-0.225,0.124,AGA search,0.98,0.91,.,.,.,.,.,.,DFT,DOI link
MMD-706,Ti2(FeCo)3,3,24,monoclinic,Cm [8],-0.225,0.124,AGA search,0.98,0.91,.,.,.,.,.,.,DFT,DOI link
MMD-707,Ti2(FeCo)3,3,24,monoclinic,Cm [8],-0.217,0.131,AGA search,0.96,0.89,.,.,.,.,.,.,DFT,DOI link
MMD-708,Ti2(FeCo)3,3,24,monoclinic,Cm [8],-0.216,0.133,AGA search,0.95,0.89,.,.,.,.,.,.,DFT,DOI link
MMD-709,Ti2(FeCo)3,3,24,monoclinic,Cm [8],-0.226,0.122,AGA search,0.99,0.92,.,.,.,.,.,.,DFT,DOI link
MMD-710,Ti2(FeCo)3,3,24,orthorhombic,Amm2 [38],-0.225,0.123,AGA search,0.99,0.92,.,.,.,.,.,.,DFT,DOI link
MMD-711,Ti2(FeCo)3,3,24,monoclinic,Cm [8],-0.225,0.123,AGA search,0.99,0.92,.,.,.,.,.,.,DFT,DOI link
MMD-712,Ti2(FeCo)3,3,24,monoclinic,Cm [8],-0.216,0.132,AGA search,0.99,0.92,.,.,.,.,.,.,DFT,DOI link
MMD-713,Nb2(FeCo)3,3,24,hexagonal,P-6m2 [187],-0.13,0.031,AGA search,0.79,0.73,.,.,.,.,.,.,DFT,DOI link
MMD-714,Nb2(FeCo)3,3,24,monoclinic,Cm [8],-0.127,0.033,AGA search,0.81,0.75,.,.,.,.,.,.,DFT,DOI link
MMD-715,Nb2(FeCo)3,3,24,monoclinic,Cm [8],-0.126,0.034,AGA search,0.81,0.75,.,.,.,.,.,.,DFT,DOI link
MMD-716,Nb2(FeCo)3,3,24,monoclinic,Cm [8],-0.12,0.04,AGA search,0.76,0.71,.,.,.,.,.,.,DFT,DOI link
MMD-717,Nb2(FeCo)3,3,24,monoclinic,Cm [8],-0.12,0.04,AGA search,0.77,0.71,.,.,.,.,.,.,DFT,DOI link
MMD-718,Nb2(FeCo)3,3,24,monoclinic,Cm [8],-0.127,0.033,AGA search,0.77,0.72,.,.,.,.,.,.,DFT,DOI link
MMD-719,Nb2(FeCo)3,3,24,orthorhombic,Amm2 [38],-0.126,0.034,AGA search,0.78,0.72,.,.,.,.,.,.,DFT,DOI link
MMD-720,Nb2(FeCo)3,3,24,monoclinic,Cm [8],-0.127,0.033,AGA search,0.82,0.76,.,.,.,.,.,.,DFT,DOI link
MMD-721,Nb2(FeCo)3,3,24,monoclinic,Cm [8],-0.119,0.041,AGA search,0.75,0.7,.,.,.,.,.,.,DFT,DOI link
MMD-722,Fe2Si,4,12,tetragonal,P4/mmm [123],-0.361,0.023,AGA search,0.69,0.75,ab plane,-0.13,.,.,.,.,DFT,DOI link
MMD-723,Fe3Si2,2,10,tetragonal,P4/m [83],-0.402,0.033,AGA search,0.42,0.46,c,0.21,.,.,.,.,DFT,DOI link
MMD-724,Fe3Si2,4,20,monoclinic,P2_1/m [11],-0.39,0.045,AGA search,0.47,0.5,c,0.25,0.17,-0.08,.,.,DFT,DOI link
MMD-725,Fe3Si,8,32,orthorhombic,Cmcm [63],-0.279,0.041,AGA search,1.04,1.11,.,.,.,.,.,.,DFT,DOI link
MMD-726,Fe6Si,4,28,orthorhombic,Cmmm [65],-0.167,0.016,AGA search,1.55,1.63,.,.,.,.,.,.,DFT,DOI link
MMD-727,Fe3Si2,8,40,monoclinic,C2/m [12],-0.421,0.014,AGA search,0.41,0.45,.,.,.,.,.,.,DFT,DOI link
MMD-728,Fe7Si2,4,36,orthorhombic,Cmmm [65],-0.275,0.009,AGA search,1.32,1.4,.,.,.,.,.,.,DFT,DOI link
MMD-729,Fe4Si3,2,14,tetragonal,I4/mmm [139],-0.392,0.064,AGA search,0.36,0.4,c,0.9,.,.,.,.,DFT,DOI link
MMD-730,FeSi,1,2,cubic,Pm-3m [221],-0.484,0.027,AGA search,0,0,.,.,.,.,.,.,DFT,DOI link
MMD-731,Fe2Si,8,24,orthorhombic,Cmcm [63],-0.378,0.006,AGA search,0.69,0.75,.,.,.,.,.,.,DFT,DOI link
MMD-732,Fe2Si,4,12,tetragonal,P4/nmm [129],-0.374,0.01,AGA search,0.71,0.77,c,0.09,.,.,.,.,DFT,DOI link
MMD-733,Fe2Si,8,24,monoclinic,C2/m [12],-0.363,0.021,AGA search,0.68,0.74,.,.,.,.,.,.,DFT,DOI link
MMD-734,Fe2Si,4,12,monoclinic,P2/m [10],-0.362,0.021,AGA search,0.66,0.72,b,-0.06,-0.08,-0.02,.,.,DFT,DOI link
MMD-735,Fe3Si2,8,40,monoclinic,C2/m [12],-0.421,0.014,AGA search,0.41,0.45,.,.,.,.,.,.,DFT,DOI link
MMD-736,Fe7Si2,4,36,orthorhombic,Cmmm [65],-0.276,0.009,AGA search,1.33,1.4,.,.,.,.,.,.,DFT,DOI link
MMD-737,Fe7Si,4,32,triclinic,P1 [1],-0.157,0.003,AGA search,1.82,1.88,.,.,.,.,.,.,DFT,DOI link
MMD-738,Fe8Si,4,36,triclinic,P-1 [2],-0.134,0.008,AGA search,1.89,1.94,.,.,.,.,.,.,DFT,DOI link
MMD-739,FeSi,1,2,hexagonal,P-6m2 [187],-0.334,0.177,AGA search,0.35,0.36,c,0.74,.,.,.,.,DFT,DOI link
MMD-740,FeSi,4,8,monoclinic,C2/m [12],-0.42,0.092,AGA search,0,0,.,.,.,.,.,.,DFT,DOI link
MMD-741,Fe5Si4,4,36,monoclinic,P2/m [10],-0.435,0.034,AGA search,0.25,0.28,.,.,.,.,.,.,DFT,DOI link
MMD-742,Fe7Si3,4,40,monoclinic,P2_1/m [11],-0.329,0.029,AGA search,0.93,1,.,.,.,.,.,.,DFT,DOI link
MMD-743,Fe7Si3,4,40,monoclinic,Pm [6],-0.332,0.026,AGA search,0.9,0.97,.,.,.,.,.,.,DFT,DOI link
MMD-744,Fe7Si3,4,40,monoclinic,P2/m [10],-0.34,0.018,AGA search,0.86,0.92,.,.,.,.,.,.,DFT,DOI link
MMD-745,Fe3Si,4,16,cubic,Fm-3m [225],-0.32,0,AGA search,1.24,1.32,.,.,.,.,.,.,DFT,DOI link
MMD-746,Fe3Si,4,16,orthorhombic,Cmcm [63],-0.284,0.035,AGA search,1.17,1.24,a,-0.3,0.28,0.58,.,.,DFT,DOI link
MMD-747,Fe3Si,8,32,monoclinic,C2/m [12],-0.285,0.035,AGA search,1.33,1.39,.,.,.,.,.,.,DFT,DOI link
MMD-748,Fe4Si,8,40,monoclinic,C2/m [12],-0.23,0.026,AGA search,1.62,1.68,.,.,.,.,.,.,DFT,DOI link
MMD-749,Fe5Si,4,24,triclinic,P1 [1],-0.182,0.031,AGA search,1.73,1.79,.,.,.,.,.,.,DFT,DOI link
MMD-750,Fe5Si,4,24,monoclinic,P2_1/m [11],-0.165,0.048,AGA search,1.74,1.79,.,.,.,.,.,.,DFT,DOI link
MMD-751,Fe5Si,4,24,monoclinic,C2/m [12],-0.172,0.041,AGA search,1.71,1.77,.,.,.,.,.,.,DFT,DOI link
MMD-752,Fe6Si,4,28,triclinic,P-1 [2],-0.163,0.02,AGA search,1.76,1.82,.,.,.,.,.,.,DFT,DOI link
MMD-753,Fe6Si,4,28,triclinic,P1 [1],-0.163,0.019,AGA search,1.8,1.85,.,.,.,.,.,.,DFT,DOI link
MMD-754,Fe6Si,4,28,monoclinic,Pm [6],-0.14,0.043,AGA search,1.75,1.81,.,.,.,.,.,.,DFT,DOI link
MMD-755,Fe7Si,4,32,triclinic,P-1 [2],-0.149,0.011,AGA search,1.84,1.9,.,.,.,.,.,.,DFT,DOI link
MMD-756,Fe8Si,4,36,triclinic,P1 [1],-0.131,0.011,AGA search,1.86,1.92,.,.,.,.,.,.,DFT,DOI link
MMD-757,Fe3S,4,16,monoclinic,P2 [3],-0.072,0.183,AGA search,1.79,1.67,c,0.39,0.14,-0.25,.,.,DFT,MS
MMD-758,Fe3S,8,32,monoclinic,C2/m [12],-0.12,0.135,AGA search,1.77,1.55,b,-0.51,-0.8,-0.29,.,.,DFT,MS
MMD-759,Fe3S,4,16,triclinic,P-1 [2],-0.072,0.182,AGA search,1.44,1.4,a,-1.28,-1.21,0.07,.,.,DFT,MS
MMD-760,Fe3S,4,16,orthorhombic,Pnma [62],-0.095,0.159,AGA search,1.69,1.67,a,-0.3,-0.05,0.25,.,.,DFT,MS
MMD-761,Fe3S,8,32,monoclinic,Cm [8],-0.125,0.129,AGA search,1.68,1.39,b,-0.06,-0.34,-0.29,.,.,DFT,MS
MMD-762,Fe3S,8,32,monoclinic,C2/m [12],-0.142,0.112,AGA search,1.69,1.38,b,0.36,-0.21,-0.57,.,.,DFT,MS
MMD-763,Fe3S,8,32,monoclinic,Cm [8],-0.099,0.156,AGA search,1.75,1.64,b,0.09,-0.95,-1.04,.,.,DFT,MS
MMD-764,Fe3S,4,16,triclinic,P-1 [2],-0.072,0.182,AGA search,1.44,1.4,b,0.58,-0.29,-0.86,.,.,DFT,MS
MMD-765,Fe3S,8,32,monoclinic,C2/m [12],-0.109,0.146,AGA search,1.67,1.38,c,0.72,0.71,-0.01,.,.,DFT,MS
MMD-766,Fe3S,8,32,monoclinic,C2/m [12],-0.144,0.111,AGA search,1.69,1.39,b,0,-0.17,-0.17,.,.,DFT,MS
MMD-767,Fe3S,4,16,monoclinic,P2_1/m [11],-0.118,0.136,AGA search,1.79,1.65,b,-0.36,-1.19,-0.83,.,.,DFT,MS
MMD-768,Fe3S,8,32,monoclinic,C2/m [12],-0.128,0.126,AGA search,1.83,1.67,a,-0.55,-0.11,0.44,.,.,DFT,MS
MMD-769,Fe3S,4,16,monoclinic,P2/m [10],-0.132,0.122,AGA search,1.82,1.65,b,0.14,-0.81,-0.96,.,.,DFT,MS
MMD-770,Fe3S,4,16,monoclinic,P2_1/m [11],-0.118,0.136,AGA search,1.78,1.65,b,0.43,-0.57,-1.01,.,.,DFT,MS
MMD-771,Co3S,4,16,orthorhombic,Pnma [62],-0.009,0.249,AGA search,0.63,0.67,a,-0.7,0.18,0.88,.,.,DFT,MS
MMD-772,FeCo5S2,2,16,triclinic,P-1 [2],-0.025,0.25,AGA search,0.81,0.84,c,0.88,1.24,0.36,.,.,DFT,MS
MMD-773,FeCo5S2,2,16,monoclinic,P2_1 [4],-0.023,0.252,AGA search,0.72,0.76,a,-0.89,-0.16,0.73,.,.,DFT,MS
MMD-774,FeCo5S2,2,16,monoclinic,Pc [7],-0.023,0.252,AGA search,0.76,0.8,c,0.8,0.77,-0.03,.,.,DFT,MS
MMD-775,FeCo5S2,2,16,monoclinic,Pm [6],-0.022,0.253,AGA search,0.8,0.84,a,-0.77,0.34,1.1,.,.,DFT,MS
MMD-776,FeCo5S2,2,16,monoclinic,P2_1 [4],-0.023,0.252,AGA search,0.83,0.87,b,0.32,-0.77,-1.09,.,.,DFT,MS
MMD-777,FeCo5S2,2,16,monoclinic,Pc [7],-0.024,0.251,AGA search,0.84,0.87,b,0.01,-1.03,-1.04,.,.,DFT,MS
MMD-778,FeCo2S,4,16,triclinic,P1 [1],-0.067,0.223,AGA search,1.18,1.21,c,0.02,0.33,0.3,.,.,DFT,MS
MMD-779,FeCo2S,4,16,monoclinic,Pm [6],-0.068,0.222,AGA search,1.18,1.21,a,-0.21,0.27,0.48,.,.,DFT,MS
MMD-780,FeCo2S,4,16,monoclinic,Pm [6],-0.067,0.223,AGA search,1.17,1.2,a,-0.2,-0.07,0.12,.,.,DFT,MS
MMD-781,FeCo2S,4,16,monoclinic,Pc [7],-0.068,0.222,AGA search,1.19,1.22,b,0.37,-0.04,-0.41,.,.,DFT,MS
MMD-782,Fe3Co3S2,2,16,triclinic,P1 [1],-0.08,0.21,AGA search,1.3,1.32,c,0.02,0.55,0.54,.,.,DFT,MS
MMD-783,Fe3Co3S2,2,16,monoclinic,Pm [6],-0.084,0.205,AGA search,1.3,1.32,a,-0.16,0.56,0.72,.,.,DFT,MS
MMD-784,Fe3Co3S2,2,16,monoclinic,P2_1/m [11],-0.082,0.207,AGA search,1.29,1.31,a,-0.12,0.73,0.85,.,.,DFT,MS
MMD-785,Fe3Co3S2,2,16,triclinic,P1 [1],-0.086,0.204,AGA search,1.31,1.33,c,0.3,0.82,0.52,.,.,DFT,MS
MMD-786,Fe3Co3S2,2,16,triclinic,P1 [1],-0.094,0.195,AGA search,1.34,1.35,c,0.58,0.41,-0.18,.,.,DFT,MS
MMD-787,Fe2CoS,4,16,monoclinic,P2_1 [4],-0.095,0.194,AGA search,1.46,1.46,a,-0.79,-0.67,0.12,.,.,DFT,MS
MMD-788,Fe2CoS,4,16,triclinic,P1 [1],-0.095,0.194,AGA search,1.47,1.47,c,0.18,0.58,0.39,.,.,DFT,MS
MMD-789,Fe2CoS,4,16,monoclinic,Pc [7],-0.096,0.193,AGA search,1.47,1.47,c,0.47,0.4,-0.07,.,.,DFT,MS
MMD-790,Fe2CoS,4,16,monoclinic,Pm [6],-0.098,0.191,AGA search,1.45,1.45,a,-0.31,0.51,0.82,.,.,DFT,MS
MMD-791,Fe2CoS,4,16,triclinic,P1 [1],-0.099,0.189,AGA search,1.45,1.46,c,0.43,0.74,0.32,.,.,DFT,MS
MMD-792,Fe2CoS,4,16,monoclinic,P2_1 [4],-0.099,0.19,AGA search,1.46,1.46,b,0.04,-0.66,-0.7,.,.,DFT,MS
MMD-793,Fe2CoS,4,16,monoclinic,Pc [7],-0.098,0.191,AGA search,1.44,1.45,b,0.45,-0.21,-0.66,.,.,DFT,MS
MMD-794,Fe5CoS2,2,16,triclinic,P1 [1],-0.097,0.183,AGA search,1.58,1.57,c,0.07,0.58,0.52,.,.,DFT,MS
MMD-795,Fe5CoS2,2,16,triclinic,P1 [1],-0.099,0.181,AGA search,1.58,1.57,c,0.12,0.6,0.48,.,.,DFT,MS
MMD-796,Fe5CoS2,2,16,triclinic,P1 [1],-0.098,0.182,AGA search,1.57,1.56,a,-0.06,0.44,0.5,.,.,DFT,MS
MMD-797,Fe5CoS2,2,16,triclinic,P1 [1],-0.097,0.183,AGA search,1.58,1.57,c,0.08,0.58,0.5,.,.,DFT,MS
MMD-798,Fe3S,4,16,orthorhombic,Pnma [62],-0.095,0.159,AGA search,1.69,1.67,a,-0.28,-0.09,0.19,.,.,DFT,MS
MMD-799,Fe3Co3S2,4,32,monoclinic,Cm [8],-0.13,0.159,AGA search,1.25,1.19,b,0.01,-0.26,-0.27,.,.,DFT,MS
MMD-800,Fe3Co3S2,2,16,monoclinic,Pm [6],-0.101,0.188,AGA search,1.37,1.27,c,0.33,0.96,0.63,.,.,DFT,MS
MMD-801,Fe3Co3S2,2,16,triclinic,P-1 [2],-0.103,0.186,AGA search,1.45,1.21,c,0.25,0.44,0.19,.,.,DFT,MS
MMD-802,Fe3Co3S2,2,16,triclinic,P1 [1],-0.084,0.206,AGA search,1.5,1.24,c,0.87,0.68,-0.19,.,.,DFT,MS
MMD-803,Fe3Co3S2,2,16,triclinic,P-1 [2],-0.103,0.187,AGA search,1.44,1.21,c,0.24,0.44,0.2,.,.,DFT,MS
MMD-804,Co4Ge,4,20,monoclinic,C2/m [12],-0.047,0.033,AGA search,0.97,1.01,b,0.45,-0.21,-0.66,.,.,DFT,MS
MMD-805,Co4Ge,4,20,monoclinic,P2/m [10],-0.043,0.037,AGA search,0.99,1.03,b,-0.27,-0.45,-0.17,.,.,DFT,MS
MMD-806,Co4Ge,2,10,tetragonal,I4/m [87],-0.038,0.043,AGA search,0.99,1.03,c,1.42,.,.,.,.,DFT,MS
MMD-807,Co4Ge,4,20,monoclinic,Pm [6],-0.045,0.035,AGA search,1.03,1.07,a,-0.07,0.99,1.06,.,.,DFT,MS
MMD-808,Co5Ge,2,12,orthorhombic,Cmmm [65],-0.031,0.036,AGA search,1.1,1.15,c,0.52,0.19,-0.33,.,.,DFT,MS
MMD-809,Co4Ge,4,20,monoclinic,P2_1/m [11],-0.043,0.038,AGA search,1.01,1.04,c,0.53,1.67,1.14,.,.,DFT,MS
MMD-810,Co5Ge,8,48,orthorhombic,Aem2 [39],-0.044,0.023,AGA search,1.15,1.2,a,-0.21,-0.02,0.18,.,.,DFT,MS
MMD-811,Co4Ge,4,20,monoclinic,P2_1/m [11],-0.053,0.028,AGA search,1.03,1.07,c,0.88,1.11,0.23,.,.,DFT,MS
MMD-812,Co5Ge2,4,28,monoclinic,C2/m [12],-0.065,0.05,AGA search,0.64,0.64,b,-0.33,-1.07,-0.74,.,.,DFT,MS
MMD-813,Co5Ge2,4,28,orthorhombic,Imma [74],-0.043,0.072,AGA search,0.53,0.54,b,0.68,-0.71,-1.39,.,.,DFT,MS
MMD-814,Co5Ge,2,12,monoclinic,P2/c [13],-0.055,0.012,AGA search,1.15,1.2,c,0.07,0.47,0.4,.,.,DFT,MS
MMD-815,Co5Ge,4,24,monoclinic,Pm [6],-0.04,0.027,AGA search,1.15,1.2,c,0.32,0.15,-0.17,.,.,DFT,MS
MMD-816,Co5Ge,2,12,monoclinic,P2_1/m [11],-0.045,0.023,AGA search,1.15,1.2,a,-0.62,-0.14,0.48,.,.,DFT,MS
MMD-817,Fe3B,4,16,orthorhombic,Pnma [62],0.115,0.35,AGA search,1.74,1.72,a,-0.69,0.68,1.36,.,.,DFT,MS
MMD-818,Fe3B,4,16,orthorhombic,Pnma [62],-0.071,0.163,AGA search,1.73,1.76,a,-1.44,-0.58,0.86,.,.,DFT,MS
MMD-819,Fe3C,2,8,hexagonal,P6_322 [182],0.861,0.861,AGA search,1.81,1.52,ab plane,-0.2,.,.,.,.,DFT,MS
MMD-820,Fe3C,4,16,orthorhombic,Pnma [62],0.495,0.495,AGA search,1.87,1.85,a,-0.73,1.06,1.8,.,.,DFT,MS
MMD-821,Fe3C,4,16,orthorhombic,Pnma [62],0.545,0.545,AGA search,1.77,1.59,a,-1.58,0.15,1.73,.,.,DFT,MS
MMD-822,Fe3C,4,16,orthorhombic,Pnma [62],0.352,0.352,AGA search,1.78,1.82,a,-1.16,0.3,1.47,.,.,DFT,MS
MMD-823,Fe3C,2,8,hexagonal,P6_322 [182],0.579,0.579,AGA search,1.78,1.59,c,0.11,.,.,.,.,DFT,MS
MMD-824,Fe3N,2,8,hexagonal,P6_322 [182],0.697,0.765,AGA search,2.15,1.8,c,0.16,.,.,.,.,DFT,MS
MMD-825,Fe3N,8,32,trigonal,P312 [149],0.669,0.737,AGA search,2.16,1.83,c,1.02,0,-1.02,.,.,DFT,MS
MMD-826,Fe3N,2,8,hexagonal,P6_322 [182],0.454,0.522,AGA search,2.08,1.86,ab plane,-1.19,.,.,.,.,DFT,MS
MMD-827,Fe3N,8,32,trigonal,P312 [149],0.673,0.74,AGA search,1.86,1.88,b,0.03,0,-0.03,.,.,DFT,MS
MMD-828,Fe3P,8,32,tetragonal,I-4 [82],-0.353,0.003,AGA search,1.42,1.47,c,1.45,0.05,-1.41,.,.,DFT,MS
MMD-829,Co3P,8,32,tetragonal,I-4 [82],-0.337,0.051,AGA search,0.72,0.77,c,0.37,0.01,-0.36,.,.,DFT,MS
MMD-830,Fe3P,8,32,tetragonal,I-4 [82],-0.356,0,AGA search,1.41,1.47,ab plane,-0.15,0,0.15,.,.,DFT,MS
MMD-831,Fe3P,4,16,orthorhombic,Pnma [62],-0.28,0.077,AGA search,1.42,1.45,a,-0.3,-0.12,0.18,.,.,DFT,MS
MMD-832,Co3P,8,32,tetragonal,I-4 [82],-0.341,0.047,AGA search,0.72,0.78,c,0.24,0,-0.24,.,.,DFT,MS
MMD-833,Co3P,4,16,orthorhombic,Pnma [62],-0.291,0.096,AGA search,0.55,0.59,a,-0.37,-0.01,0.36,.,.,DFT,MS
MMD-834,Sc,1,1,cubic,Pm-3m [221],0.726,0.726,MP,0.82,0.36,.,.,.,.,.,.,DFT,mp-1008681
MMD-835,Ni,2,2,cubic,Im-3m [229],0.104,0.104,MP,0.56,0.6,.,.,.,.,.,.,DFT,mp-1008728
MMD-836,Cu,2,2,tetragonal,I4/mmm [139],0.037,0.037,MP,0,0,.,.,.,.,.,.,DFT,mp-1010136
MMD-837,Ni,2,2,trigonal,P-3m1 [164],0.626,0.626,MP,0.69,0.23,.,.,.,.,.,.,DFT,mp-1014111
MMD-838,Co,4,4,cubic,Fm-3m [225],0.014,0.014,MP,1.66,1.77,.,.,.,.,.,.,DFT,mp-102
MMD-839,Ni,2,2,hexagonal,P6_3/mmc [194],0.027,0.027,MP,0.65,0.7,.,.,.,.,.,.,DFT,mp-10257
MMD-840,Mn,2,2,cubic,Im-3m [229],0.15,0.15,MP,0.85,0.91,.,.,.,.,.,.,DFT,mp-1055908
MMD-841,Sc,2,2,tetragonal,I4/mmm [139],0.107,0.107,MP,0.02,0.01,.,.,.,.,.,.,DFT,mp-1056366
MMD-842,Zr,1,1,hexagonal,P6/mmm [191],0.369,0.369,MP,0,0,.,.,.,.,.,.,DFT,mp-1056376
MMD-843,Mn,4,4,tetragonal,I4_1/amd [141],0.668,0.668,MP,1.13,1.1,.,.,.,.,.,.,DFT,mp-1057139
MMD-844,Cu,4,4,orthorhombic,Cmcm [63],0.145,0.145,MP,0,0,.,.,.,.,.,.,DFT,mp-1059259
MMD-845,Cr,4,4,orthorhombic,Cmcm [63],0.314,0.314,MP,0,0,.,.,.,.,.,.,DFT,mp-1059289
MMD-846,Sc,2,2,cubic,Im-3m [229],0.101,0.101,MP,0.01,0,.,.,.,.,.,.,DFT,mp-10641
MMD-847,Sc,4,4,tetragonal,P4/nmm [129],0.113,0.113,MP,0.01,0.01,.,.,.,.,.,.,DFT,mp-1064244
MMD-848,Co,24,24,cubic,Fd-3m [227],0.198,0.198,MP,1.75,1.76,.,.,.,.,.,.,DFT,mp-1072089
MMD-849,Zr,12,12,orthorhombic,Ibam [72],0.017,0.017,MP,0,0,.,.,.,.,.,.,DFT,mp-1077723
MMD-850,Fe,1,1,hexagonal,P6/mmm [191],0.47,0.47,MP,2.49,2.26,.,.,.,.,.,.,DFT,mp-1096950
MMD-851,Y,2,2,hexagonal,P6_3/mmc [194],0,0 (stable),bulk Y,0.03,0.01,.,.,.,.,.,.,DFT,mp-112
MMD-852,Cu,6,6,trigonal,P-3m1 [164],0.159,0.159,MP,0,0,.,.,.,.,.,.,DFT,mp-1120774
MMD-853,Co,4,4,hexagonal,P6_3/mmc [194],0.003,0.003,MP,1.64,1.76,.,.,.,.,.,.,DFT,mp-1183710
MMD-854,Y,4,4,hexagonal,P6_3/mmc [194],0.01,0.01,MP,0,0,.,.,.,.,.,.,DFT,mp-1187717
MMD-855,Y,9,9,trigonal,R-3m [166],0.005,0.005,MP,0,0,.,.,.,.,.,.,DFT,mp-1187739
MMD-856,Zn,9,9,trigonal,R-3m [166],0.004,0.004,MP,0,0,.,.,.,.,.,.,DFT,mp-1187812
MMD-857,Co,28,28,tetragonal,P4_2/mnm [136],0.127,0.127,MP,1.69,1.73,.,.,.,.,.,.,DFT,mp-1193227
MMD-858,Fe,28,28,tetragonal,P4_2/mnm [136],0.172,0.172,MP,2.37,2.28,.,.,.,.,.,.,DFT,mp-1194030
MMD-859,Pt,4,4,cubic,Fm-3m [225],0,0 (stable),bulk Pt,0,0,.,.,.,.,.,.,DFT,mp-126
MMD-860,Mo,2,2,cubic,Im-3m [229],0,0 (stable),bulk Mo,0,0,.,.,.,.,.,.,DFT,mp-129
MMD-861,Zr,2,2,hexagonal,P6_3/mmc [194],0,0 (stable),bulk Zr,0,0,.,.,.,.,.,.,DFT,mp-131
MMD-862,Fe,2,2,hexagonal,P6_3/mmc [194],0.084,0.084,MP,0,0,.,.,.,.,.,.,DFT,mp-136
MMD-863,V,2,2,cubic,Im-3m [229],0,0 (stable),bulk V,0,0,.,.,.,.,.,.,DFT,mp-146
MMD-864,Fe,4,4,cubic,Fm-3m [225],0.151,0.151,MP,2.6,2.5,.,.,.,.,.,.,DFT,mp-150
MMD-865,Cr,8,8,cubic,Pm-3n [223],0.066,0.066,MP,0,0,.,.,.,.,.,.,DFT,mp-17
MMD-866,Cu,4,4,cubic,Fm-3m [225],0,0 (stable),bulk Cu,0,0,.,.,.,.,.,.,DFT,mp-30
MMD-867,Mn,58,58,cubic,I-43m [217],0,0 (stable),bulk Mn,0.3,0.32,.,.,.,.,.,.,DFT,mp-35
MMD-868,Sc,4,4,cubic,Fm-3m [225],0.049,0.049,MP,0,0,.,.,.,.,.,.,DFT,mp-36
MMD-869,Zr,2,2,cubic,Im-3m [229],0.084,0.084,MP,0,0,.,.,.,.,.,.,DFT,mp-41
MMD-870,Ti,2,2,hexagonal,P6_3/mmc [194],0,0 (stable),bulk Ti,0,0,.,.,.,.,.,.,DFT,mp-46
MMD-871,Mn,20,20,cubic,P4_132 [213],0.058,0.058,MP,0.13,0.14,.,.,.,.,.,.,DFT,mp-542909
MMD-872,Sc,8,8,tetragonal,I4/mcm [140],0.211,0.211,MP,0,0,.,.,.,.,.,.,DFT,mp-567308
MMD-873,Sc,6,6,hexagonal,P6_122 [178],0.132,0.132,MP,0,0,.,.,.,.,.,.,DFT,mp-601273
MMD-874,Co,46,46,hexagonal,P6_3mc [186],0.119,0.119,MP,1.68,1.74,.,.,.,.,.,.,DFT,mp-669382
MMD-875,Sc,2,2,hexagonal,P6_3/mmc [194],0,0 (stable),bulk Sc,0.01,0.01,.,.,.,.,.,.,DFT,mp-67
MMD-876,Ti,4,4,cubic,Fm-3m [225],0.054,0.054,MP,0,0,.,.,.,.,.,.,DFT,mp-6985
MMD-877,Ti,2,2,cubic,Im-3m [229],0.104,0.104,MP,0.01,0,.,.,.,.,.,.,DFT,mp-73
MMD-878,Nb,2,2,cubic,Im-3m [229],0,0 (stable),bulk Nb,0,0,.,.,.,.,.,.,DFT,mp-75
MMD-879,Zn,2,2,hexagonal,P6_3/mmc [194],0,0 (stable),bulk Zn,0,0,.,.,.,.,.,.,DFT,mp-79
MMD-880,V,4,4,cubic,Fm-3m [225],0.241,0.241,MP,0,0,.,.,.,.,.,.,DFT,mp-8632
MMD-881,Cr,4,4,cubic,Fm-3m [225],0.387,0.387,MP,0,0,.,.,.,.,.,.,DFT,mp-8633
MMD-882,Mn,4,4,cubic,Fm-3m [225],0.088,0.088,MP,0,0,.,.,.,.,.,.,DFT,mp-8634
MMD-883,Zr,4,4,cubic,Fm-3m [225],0.039,0.039,MP,0,0,.,.,.,.,.,.,DFT,mp-8635
MMD-884,Cr,2,2,hexagonal,P6_3/mmc [194],0.399,0.399,MP,0,0,.,.,.,.,.,.,DFT,mp-89
MMD-885,Y,4,4,cubic,Fm-3m [225],0.029,0.029,MP,0,0,.,.,.,.,.,.,DFT,mp-9
MMD-886,Cr,2,2,cubic,Im-3m [229],0,0 (stable),bulk Cr,0,0,.,.,.,.,.,.,DFT,mp-90
MMD-887,Cu,4,4,hexagonal,P6_3/mmc [194],0.007,0.007,MP,0,0,.,.,.,.,.,.,DFT,mp-989695
MMD-888,Cu,2,2,hexagonal,P6_3/mmc [194],0.01,0.01,MP,0,0,.,.,.,.,.,.,DFT,mp-989782
MMD-889,Cu,2,2,cubic,Im-3m [229],0.037,0.037,MP,0,0,.,.,.,.,.,.,DFT,mp-998890
MMD-890,Mn3N2,1,5,trigonal,P-3m1 [164],-0.077,0.197,MP,0.4,0.5,c,0.11,.,.,.,.,DFT,mp-1001117
MMD-891,MnGa,1,2,tetragonal,P4/mmm [123],-0.11,0 (stable),MP,1.25,1.09,c,2.1,.,.,.,.,DFT,mp-1001836
MMD-892,Mn2Ge,4,12,cubic,F-43m [216],0.148,0.22,MP,0,0,.,.,.,.,.,.,DFT,mp-1008920
MMD-893,MnN,1,2,cubic,Pm-3m [221],0.445,0.732,MP,0.89,1.28,a,.,.,.,0,.,DFT,mp-1009128
MMD-894,MnN,4,8,cubic,F-43m [216],-0.287,0 (stable),MP,0.56,0.66,<111>,.,.,.,-0.01,.,DFT,mp-1009130
MMD-895,MnAs,4,8,cubic,F-43m [216],0.209,0.451,MP,1.83,0.91,<111>,.,.,.,0,.,DFT,mp-1009131
MMD-896,MnP,4,8,cubic,F-43m [216],0.042,0.649,MP,1.12,0.76,a,.,.,.,0,.,DFT,mp-1009135
MMD-897,MnB4,2,10,orthorhombic,Immm [71],-0.271,0.017,MP,0.11,0.18,b,0.01,-0.08,-0.09,.,.,DFT,mp-1010
MMD-898,Mn3B4,2,14,orthorhombic,Immm [71],-0.398,0.043,MP,0.77,1.11,a,-0.69,-0.3,0.38,.,.,DFT,mp-10118
MMD-899,ZrMn2,4,12,hexagonal,P6_3/mmc [194],-0.193,0,MP,0.42,0.34,ab plane,-0.04,.,.,.,.,DFT,mp-1014
MMD-900,ZrMn2,8,24,hexagonal,P6_3/mmc [194],-0.193,0,MP,0.47,0.37,ab plane,-0.28,.,.,.,.,DFT,mp-1015
MMD-901,MnS2,2,6,orthorhombic,Pnnm [58],-0.531,0.037,MP,0.32,0.27,b,0.3,-0.18,-0.48,.,.,DFT,mp-1018804
MMD-902,MnSe,2,4,hexagonal,P6_3/mmc [194],-0.328,0.012,MP,2.16,1.31,ab plane,-1.89,.,.,.,.,DFT,mp-10204
MMD-903,MnGa4,2,10,cubic,Im-3m [229],-0.155,0 (stable),MP,0.13,0.09,<111>,.,.,.,-0.02,.,DFT,mp-1069288
MMD-904,MnB4,2,10,orthorhombic,Pnnm [58],-0.28,0.007,MP,0.11,0.18,c,0.22,0.12,-0.1,.,.,DFT,mp-1078253
MMD-905,MnGe,4,8,cubic,P2_13 [198],-0.102,0 (stable),MP,1,0.86,.,.,.,.,.,.,DFT,mp-1078464
MMD-906,Mn3Ga,2,8,hexagonal,P6_3/mmc [194],0.046,0.101,MP,0.94,0.92,ab plane,-1.37,.,.,.,.,DFT,mp-1078584
MMD-907,Mn3Ge,2,8,hexagonal,P6_3/mmc [194],-0.032,0.022,MP,1.21,1.16,ab plane,-1.7,.,.,.,.,DFT,mp-1078873
MMD-908,Mn3N4,2,14,hexagonal,P6_3/m [176],-0.043,0.203,MP,0,0,.,.,.,.,.,.,DFT,mp-1080197
MMD-909,Mn3N4,4,28,orthorhombic,Pnma [62],-0.126,0.12,MP,0.45,0.56,a,-0.1,0.09,0.18,.,.,DFT,mp-1080204
MMD-910,MnGe2,4,12,tetragonal,I4/mcm [140],-0.024,0.044,MP,0.46,0.37,ab plane,-0.17,.,.,.,.,DFT,mp-1094140
MMD-911,MnS2,4,12,monoclinic,P2_1/c [14],-0.263,0.305,MP,0.67,0.4,c,0.39,0.64,0.25,.,.,DFT,mp-1095335
MMD-912,Mn3Ge5,4,32,tetragonal,P-4n2 [118],-0.064,0.012,MP,0.12,0.1,c,0.24,.,.,.,.,DFT,mp-1097859
MMD-913,MnAl12,2,26,cubic,Im-3 [204],-0.095,0 (stable),MP,0,0,.,.,.,.,.,.,DFT,mp-1104165
MMD-914,MnB4,4,20,monoclinic,P2_1/c [14],-0.287,0 (stable),MP,0,0,.,.,.,.,.,.,DFT,mp-1106184
MMD-915,Mn5Si3,2,16,hexagonal,P6_3/mcm [193],-0.243,0.141,MP,0.01,0.01,.,.,.,.,.,.,DFT,mp-1111
MMD-916,MnZn,1,2,cubic,Pm-3m [221],0.077,0.09,MP,1.46,1.26,a,.,.,.,0.01,.,DFT,mp-11503
MMD-917,MnZn3,1,4,cubic,Pm-3m [221],-0.019,0 (stable),MP,0.69,0.57,a,.,.,.,0,.,DFT,mp-11504
MMD-918,MnPt3,1,4,cubic,Pm-3m [221],-0.35,0 (stable),MP,1.06,0.81,<111>,.,.,.,-0.08,.,DFT,mp-1180
MMD-919,Mn2Al3,4,20,cubic,P4_132 [213],-0.238,0.023,MP,0,0,.,.,.,.,.,.,DFT,mp-1180309
MMD-920,Mn3Zn,4,16,cubic,Fm-3m [225],0.204,0.211,MP,1.28,1.21,<111>,.,.,.,-0.8,.,DFT,mp-1185979
MMD-921,MnGe3,1,4,cubic,Pm-3m [221],0.338,0.389,MP,0.91,0.66,a,.,.,.,0,.,DFT,mp-1186709
MMD-922,Zr3Mn,1,4,cubic,Pm-3m [221],0.144,0.216,MP,0.87,0.49,<111>,.,.,.,-0.04,.,DFT,mp-1188027
MMD-923,Zr3Mn,2,8,tetragonal,I4/mmm [139],0.145,0.218,MP,0.94,0.52,c,0.26,.,.,.,.,DFT,mp-1188041
MMD-924,ZrMn3,2,8,hexagonal,P6_3/mmc [194],0.148,0.293,MP,1.61,1.28,ab plane,-0.97,.,.,.,.,DFT,mp-1188045
MMD-925,Mn6C,16,112,cubic,Fd-3m [227],0.071,0.12,MP,0.49,0.56,.,.,.,.,.,.,DFT,mp-1193506
MMD-926,Mn5Al8,6,78,trigonal,R3m [160],-0.184,0.078,MP,0.01,0.01,.,.,.,.,.,.,DFT,mp-1194040
MMD-927,Mn8Ga5,4,52,cubic,I-43m [217],0.12,0.204,MP,1.58,1.36,.,.,.,.,.,.,DFT,mp-1194466
MMD-928,Mn6Ga29,2,70,triclinic,P-1 [2],-0.123,0.01,MP,0,0,.,.,.,.,.,.,DFT,mp-1196402
MMD-929,Mn5Si2,8,56,tetragonal,P4_12_12 [92],-0.173,0.162,MP,0.55,0.54,.,.,.,.,.,.,DFT,mp-1198479
MMD-930,MnAl,1,2,cubic,Pm-3m [221],-0.214,0.043,MP,0.94,0.85,a,.,.,.,0,.,DFT,mp-12067
MMD-931,MnZn13,2,28,monoclinic,C2/m [12],-0.018,0 (stable),MP,0.12,0.1,.,.,.,.,.,.,DFT,mp-1210567
MMD-932,MnZn13,2,28,monoclinic,C2/m [12],0.073,0.091,MP,0.25,0.19,.,.,.,.,.,.,DFT,mp-1210582
MMD-933,Mn3Ga,2,8,tetragonal,I4/mmm [139],0.005,0.06,MP,1.25,1.19,c,1.6,.,.,.,.,DFT,mp-1210627
MMD-934,Mn4Al9,12,156,orthorhombic,Pnma [62],-0.224,0.042,MP,0.44,0.35,.,.,.,.,.,.,DFT,mp-1212295
MMD-935,ZrMn3,3,12,trigonal,P3m1 [156],-0.105,0.04,MP,0.53,0.45,c,1.95,.,.,.,.,DFT,mp-1215293
MMD-936,Ti5Mn7,1,12,trigonal,P-3m1 [164],-0.237,0.014,MP,0.07,0.06,.,.,.,.,.,.,DFT,mp-1217189
MMD-937,MnZn3,1,4,hexagonal,P-6m2 [187],0.064,0.083,MP,0.61,0.51,ab plane,-1.13,.,.,.,.,DFT,mp-1221532
MMD-938,MnZn,1,2,hexagonal,P-6m2 [187],0.177,0.19,MP,1.19,1.04,ab plane,-1.05,.,.,.,.,DFT,mp-1221543
MMD-939,MnPt,3,6,trigonal,R-3m [166],0.013,0.355,MP,1.74,1.5,ab plane,-5.01,.,.,.,.,DFT,mp-1221545
MMD-940,MnPt2,1,3,trigonal,P-3m1 [164],-0.194,0.153,MP,1.51,1.14,c,4.58,.,.,.,.,DFT,mp-1221567
MMD-941,MnZn3,3,12,trigonal,R-3m [166],0.095,0.114,MP,0.74,0.6,ab plane,-1.06,.,.,.,.,DFT,mp-1221570
MMD-942,MnGa,1,2,hexagonal,P-6m2 [187],-0.011,0.098,MP,0.96,0.84,c,0.33,.,.,.,.,DFT,mp-1221639
MMD-943,Mn3Si,1,4,tetragonal,P4/mmm [123],-0.211,0.103,MP,0.28,0.3,c,0.49,.,.,.,.,DFT,mp-1221697
MMD-944,Mn4Cu,3,15,trigonal,R-3m [166],0.141,0.141,MP,0,0,.,.,.,.,.,.,DFT,mp-1221725
MMD-945,Mn4B,8,40,orthorhombic,F222 [22],-0.13,0.104,MP,0,0,.,.,.,.,.,.,DFT,mp-1221769
MMD-946,Mn2N,1,3,trigonal,P-3m1 [164],-0.196,0.069,MP,1.54,1.77,c,0.97,.,.,.,.,DFT,mp-1221793
MMD-947,Mn4Ga,3,15,trigonal,R-3m [166],0.122,0.166,MP,0,0,.,.,.,.,.,.,DFT,mp-1221812
MMD-948,Mn3Ga,1,4,hexagonal,P-6m2 [187],0.059,0.113,MP,0.38,0.37,c,0.94,.,.,.,.,DFT,mp-1221828
MMD-949,Mn3Ga,3,12,trigonal,R-3m [166],0.116,0.171,MP,0.35,0.33,c,0.85,.,.,.,.,DFT,mp-1221851
MMD-950,Mn3Ge,3,12,trigonal,R-3m [166],0.199,0.253,MP,0.25,0.23,ab plane,-0.49,.,.,.,.,DFT,mp-1222005
MMD-951,Mn23As16,1,39,triclinic,P1 [1],-0.111,0.084,MP,1.48,1.18,.,.,.,.,.,.,DFT,mp-1222233
MMD-952,Mn2Nb,4,12,hexagonal,P6_3/mmc [194],-0.153,0 (stable),MP,0.17,0.15,c,0.27,.,.,.,.,DFT,mp-12659
MMD-953,Mn3N2,2,10,tetragonal,I4/mmm [139],-0.172,0.102,MP,1.63,1.92,ab plane,-3.59,.,.,.,.,DFT,mp-12857
MMD-954,Y6Mn23,4,116,cubic,Fm-3m [225],0.034,0.034,MP,0.44,0.34,.,.,.,.,.,.,DFT,mp-1355
MMD-955,MnSi,4,8,cubic,P2_13 [198],-0.455,0 (stable),MP,0.49,0.49,<111>,.,.,.,-0.03,.,DFT,mp-1431
MMD-956,MnS2,4,12,cubic,Pa-3 [205],-0.097,0.471,MP,0.38,0.24,.,.,.,.,.,.,DFT,mp-1455
MMD-957,Mn3Al10,2,26,hexagonal,P6_3/mmc [194],-0.231,0.008,MP,0.19,0.15,ab plane,-0.07,.,.,.,.,DFT,mp-16511
MMD-958,MnPt,1,2,tetragonal,P4/mmm [123],-0.342,0 (stable),MP,2.2,1.69,c,10.63,.,.,.,.,DFT,mp-1670
MMD-959,MnAl6,4,28,orthorhombic,Cmcm [63],-0.168,0 (stable),MP,0,0,.,.,.,.,.,.,DFT,mp-173
MMD-960,MnS,4,8,cubic,F-43m [216],-0.373,0.084,MP,2,1.1,<111>,.,.,.,0,.,DFT,mp-1783
MMD-961,Mn2P,3,9,hexagonal,P-62m [189],-0.498,0 (stable),MP,1.16,1.16,ab plane,-0.41,.,.,.,.,DFT,mp-1849
MMD-962,TiMn2,4,12,hexagonal,P6_3/mmc [194],-0.272,0 (stable),MP,0.07,0.06,.,.,.,.,.,.,DFT,mp-1949
MMD-963,Mn3P,8,32,tetragonal,I-4 [82],-0.353,0.021,MP,0.26,0.27,.,.,.,.,.,.,DFT,mp-19884
MMD-964,Mn3Ge,1,4,cubic,Pm-3m [221],-0.02,0.034,MP,1.34,1.28,<111>,.,.,.,-0.03,.,DFT,mp-20139
MMD-965,Mn3Si,4,16,cubic,Fm-3m [225],-0.314,0 (stable),MP,0.25,0.26,.,.,.,.,.,.,DFT,mp-20211
MMD-966,Mn2B,4,12,tetragonal,I4/mcm [140],-0.391,0 (stable),MP,0,0,.,.,.,.,.,.,DFT,mp-20318
MMD-967,ScMn2,4,12,hexagonal,P6_3/mmc [194],-0.141,0 (stable),MP,0,0,.,.,.,.,.,.,DFT,mp-2039
MMD-968,Mn2Ge,2,6,hexagonal,P6_3/mmc [194],-0.019,0.053,MP,1.49,1.35,c,1.97,.,.,.,.,DFT,mp-20473
MMD-969,MnS,4,8,cubic,Fm-3m [225],-0.315,0.141,MP,1.93,1.34,<111>,.,.,.,0,.,DFT,mp-2065
MMD-970,ZrMn2,8,24,cubic,Fd-3m [227],-0.193,0 (stable),MP,0.51,0.41,a,.,.,.,0,.,DFT,mp-2116
MMD-971,Mn7C3,4,40,orthorhombic,Pnma [62],-0.1,0 (stable),MP,0.01,0.01,.,.,.,.,.,.,DFT,mp-21256
MMD-972,MnSe2,4,12,cubic,Pa-3 [205],-0.298,0 (stable),MP,1.03,0.62,a,.,.,.,0.04,.,DFT,mp-21321
MMD-973,MnAs,4,8,orthorhombic,Pnma [62],-0.242,0 (stable),MP,0.91,0.74,a,-0.24,0.25,0.49,.,.,DFT,mp-22240
MMD-974,YMn12,2,26,tetragonal,I4/mmm [139],0.002,0.002,MP,0.21,0.19,.,.,.,.,.,.,DFT,mp-22508
MMD-975,Mn5C2,4,28,monoclinic,C2/c [15],-0.097,0 (stable),MP,0.29,0.37,b,-1.27,-2.79,-1.52,.,.,DFT,mp-22749
MMD-976,MnSe,4,8,cubic,F-43m [216],-0.337,0.004,MP,2.49,1.1,<111>,.,.,.,0,.,DFT,mp-2293
MMD-977,MnS,2,4,hexagonal,P6_3mc [186],-0.272,0.184,MP,1.98,1.08,ab plane,-0.19,.,.,.,.,DFT,mp-2562
MMD-978,MnP,4,8,orthorhombic,Pnma [62],-0.607,0 (stable),MP,0.69,0.67,a,-1.53,-0.95,0.58,.,.,DFT,mp-2662
MMD-979,Mn3As,4,16,orthorhombic,Cmcm [63],-0.112,0 (stable),MP,0.69,0.62,.,.,.,.,.,.,DFT,mp-2668
MMD-980,Mn4Al11,1,15,triclinic,P-1 [2],-0.268,0 (stable),MP,0.07,0.06,.,.,.,.,.,.,DFT,mp-2856
MMD-981,Mn5As4,4,36,orthorhombic,Cmc2_1 [36],-0.157,0.056,MP,1.44,1.11,a,-0.22,0.51,0.73,.,.,DFT,mp-28832
MMD-982,Mn3As2,4,20,monoclinic,C2/m [12],-0.126,0.063,MP,1.54,1.24,b,0.06,-0.04,-0.1,.,.,DFT,mp-28916
MMD-983,Mn4Al19,6,138,cubic,Pm-3 [200],-0.18,0.012,MP,0.01,0,.,.,.,.,.,.,DFT,mp-30526
MMD-984,Mn3Pt,1,4,cubic,Pm-3m [221],0.083,0.254,MP,2.72,2.15,.,.,.,.,.,.,DFT,mp-30785
MMD-985,MnP4,2,10,triclinic,P-1 [2],-0.361,0,MP,0,0,.,.,.,.,.,.,DFT,mp-487
MMD-986,Mn4N,1,5,cubic,Pm-3m [221],-0.162,0 (stable),MP,0.27,0.3,<111>,.,.,.,-0.01,.,DFT,mp-505622
MMD-987,Mn23C6,4,116,cubic,Fm-3m [225],-0.072,0 (stable),MP,0.09,0.11,.,.,.,.,.,.,DFT,mp-542830
MMD-988,MnS,1,2,cubic,Pm-3m [221],-0.043,0.414,MP,1.67,1.3,a,.,.,.,0,.,DFT,mp-556853
MMD-989,YMn2,8,24,cubic,Fd-3m [227],0.155,0.155,MP,0.3,0.22,.,.,.,.,.,.,DFT,mp-558
MMD-990,Mn11Si19,4,120,tetragonal,P-4n2 [118],-0.417,0.005,MP,0.02,0.02,.,.,.,.,.,.,DFT,mp-567968
MMD-991,Mn4Si7,4,44,orthorhombic,Pcca [54],-0.421,0 (stable),MP,0,0,.,.,.,.,.,.,DFT,mp-568121
MMD-992,Mn3As2,8,40,orthorhombic,Cmc2_1 [36],-0.114,0.076,MP,1.52,1.23,a,-0.58,-0.18,0.41,.,.,DFT,mp-568856
MMD-993,MnP4,6,30,triclinic,P-1 [2],-0.362,0 (stable),MP,0,0,.,.,.,.,.,.,DFT,mp-569522
MMD-994,MnP4,16,80,monoclinic,C2/c [15],-0.36,0.002,MP,0,0,.,.,.,.,.,.,DFT,mp-571193
MMD-995,MnB2,1,3,hexagonal,P6/mmm [191],-0.282,0.095,MP,0.6,0.92,ab plane,-1.87,.,.,.,.,DFT,mp-585
MMD-996,MnSe,2,4,tetragonal,P4/nmm [129],-0.321,0.019,MP,0.7,0.4,c,1.2,.,.,.,.,DFT,mp-604910
MMD-997,Mn2Ga5,2,14,tetragonal,P4/mbm [127],-0.108,0.034,MP,0.65,0.49,ab plane,-1.22,.,.,.,.,DFT,mp-607225
MMD-998,Mn5Si2,8,56,tetragonal,P4_12_12 [92],-0.264,0.07,MP,0.63,0.63,.,.,.,.,.,.,DFT,mp-608655
MMD-999,MnAs,2,4,hexagonal,P6_3/mmc [194],-0.215,0.027,MP,1.43,1.04,ab plane,-0.96,.,.,.,.,DFT,mp-610
MMD-1000,Mn2As,2,6,tetragonal,P4/nmm [129],-0.128,0.028,MP,1.68,1.42,ab plane,-1.47,.,.,.,.,DFT,mp-610522
MMD-1001,MnB,8,16,tetragonal,P4_2/ncm [138],0,0.49,MP,0.53,0.54,ab plane,-1.7,.,.,.,.,DFT,mp-616575
MMD-1002,Mn5Ge3,2,16,hexagonal,P6_3/mcm [193],-0.081,0 (stable),MP,1.67,1.42,c,0.26,.,.,.,.,DFT,mp-617291
MMD-1003,Mn5Ge2,4,28,orthorhombic,Ibam [72],0.007,0.069,MP,1.33,1.22,b,0.03,-0.48,-0.51,.,.,DFT,mp-632686
MMD-1004,MnGa,39,78,trigonal,R-3m [166],-0.063,0.047,MP,1.22,0.97,.,.,.,.,.,.,DFT,mp-636105
MMD-1005,Mn14Si23,2,74,orthorhombic,Pnnm [58],0.161,0.586,MP,0.54,0.49,.,.,.,.,.,.,DFT,mp-650285
MMD-1006,Mn11Ge8,4,76,orthorhombic,Pnma [62],-0.08,0.009,MP,1.37,1.19,c,0,0,0,.,.,DFT,mp-654223
MMD-1007,Mn4Si7,4,44,tetragonal,P-4c2 [116],-0.421,0,MP,0,0,.,.,.,.,.,.,DFT,mp-680339
MMD-1008,MnN,4,8,cubic,Fm-3m [225],-0.187,0.1,MP,1.47,1.94,a,.,.,.,0,.,DFT,mp-6933
MMD-1009,Mn5Ge2,6,42,hexagonal,P6_3cm [185],-0.005,0.057,MP,1.15,1.07,c,0.04,.,.,.,.,DFT,mp-704981
MMD-1010,Mn15Si26,4,164,tetragonal,I-42d [122],-0.418,0.003,MP,0.01,0.01,.,.,.,.,.,.,DFT,mp-752
MMD-1011,MnP2,2,6,orthorhombic,Pnnm [58],-0.434,0.037,MP,0.33,0.29,a,-0.41,-0.19,0.22,.,.,DFT,mp-754064
MMD-1012,MnP4,8,40,monoclinic,C2/c [15],-0.322,0.04,MP,0.2,0.15,.,.,.,.,.,.,DFT,mp-755453
MMD-1013,MnP4,6,30,monoclinic,P2_1/c [14],-0.31,0.051,MP,0.2,0.15,.,.,.,.,.,.,DFT,mp-769096
MMD-1014,MnAl,1,2,tetragonal,P4/mmm [123],-0.256,0 (stable),MP,1.17,1.02,c,1.53,.,.,.,.,DFT,mp-771
MMD-1015,MnB,4,8,orthorhombic,Pnma [62],-0.49,0 (stable),MP,0.93,1.29,a,-0.4,0.44,0.84,.,.,DFT,mp-8365
MMD-1016,Mn3Ge,4,16,cubic,Fm-3m [225],0.074,0.128,MP,0.09,0.08,.,.,.,.,.,.,DFT,mp-865027
MMD-1017,Mn4As3,4,28,monoclinic,C2/m [12],-0.149,0.055,MP,1.53,1.19,b,0.64,-0.19,-0.83,.,.,DFT,mp-9305
MMD-1018,MnSe,4,8,cubic,Fm-3m [225],-0.323,0.017,MP,2.32,1.37,<111>,.,.,.,0,.,DFT,mp-972
MMD-1019,Mn3Al,4,16,cubic,Fm-3m [225],-0.059,0.07,MP,0.73,0.73,<111>,.,.,.,-0.03,.,DFT,mp-973149
MMD-1020,Mn3Zn,2,8,tetragonal,I4/mmm [139],0.213,0.219,MP,0.89,0.88,ab plane,-2.64,.,.,.,.,DFT,mp-973181
MMD-1021,Mn2S3,6,30,trigonal,R-3c [167],-0.548,0 (stable),MP,0.81,0.62,c,0.13,.,.,.,.,DFT,mp-974355
MMD-1022,MnCu3,2,8,hexagonal,P6_3/mmc [194],0.095,0.095,MP,0.97,0.91,c,0.01,.,.,.,.,DFT,mp-974747
MMD-1023,MnZn3,2,8,hexagonal,P6_3/mmc [194],-0.01,0.01,MP,0.79,0.65,c,0.12,.,.,.,.,DFT,mp-975079
MMD-1024,Mn3S,1,4,cubic,Pm-3m [221],0.166,0.394,MP,1.35,1.37,<111>,.,.,.,0,.,DFT,mp-975439
MMD-1025,Mn2N,4,12,orthorhombic,Pbcn [60],-0.265,0 (stable),MP,1.34,1.59,a,-1,-0.58,0.42,.,.,DFT,mp-9981
MMD-1026,MnP,2,4,hexagonal,P6_3/mmc [194],-0.452,0.156,MP,0.94,0.85,ab plane,-0.02,.,.,.,.,DFT,mp-999516
MMD-1027,MnN,2,4,hexagonal,P6_3mc [186],-0.205,0.082,MP,0.7,0.82,c,0.83,.,.,.,.,DFT,mp-999517
MMD-1028,MnSe,2,4,hexagonal,P6_3mc [186],-0.34,0 (stable),MP,2.5,1.11,c,0.05,.,.,.,.,DFT,mp-999540
MMD-1029,Mn3Ga,4,16,cubic,Fm-3m [225],0.058,0.112,MP,1,0.93,<111>,.,.,.,-0.01,.,DFT,mp-999550
MMD-1030,MnS2,4,12,tetragonal,I-42d [122],-0.26,0.309,MP,0,0,.,.,.,.,.,.,DFT,mvc-11047
MMD-1031,MnN,2,4,monoclinic,Pm [6],-0.016,0.271,MP,0.71,0.84,a,-0.14,0.34,0.48,.,.,DFT,mvc-13808
MMD-1032,MnS2,3,9,trigonal,R-3m [166],-0.568,0 (stable),MP,0.99,0.48,ab plane,-0.12,.,.,.,.,DFT,mvc-14047
MMD-1033,MnS2,16,48,cubic,Fd-3m [227],-0.554,0.015,MP,0.98,0.62,<111>,.,.,.,-0.35,.,DFT,mvc-34
MMD-1034,FeP,4,8,orthorhombic,Pnma [62],-0.602,0 (stable),MP,0.2,0.21,c,0.02,0.01,0,.,.,DFT,mp-1005
MMD-1035,FeCo3,1,4,cubic,Pm-3m [221],0.01,0.044,MP,1.85,1.95,a,.,.,.,0,.,DFT,mp-1007852
MMD-1036,Fe3Ni,4,16,cubic,Fm-3m [225],0.024,0.059,MP,2.16,2.17,a,.,.,.,0,.,DFT,mp-1007853
MMD-1037,FeNi3,4,16,cubic,Fm-3m [225],0.026,0.114,MP,1.11,1.16,<111>,.,.,.,0,.,DFT,mp-1007854
MMD-1038,FeNi3,2,8,tetragonal,I4/mmm [139],-0.072,0.016,MP,1.14,1.2,ab plane,-0.82,.,.,.,.,DFT,mp-1007855
MMD-1039,Fe3Ni,2,8,tetragonal,I4/mmm [139],0.04,0.074,MP,2.04,2.05,ab plane,-0.52,.,.,.,.,DFT,mp-1007862
MMD-1040,FeB,4,8,orthorhombic,Cmcm [63],-0.378,0.006,MP,0.66,0.96,c,1.55,0.31,-1.24,.,.,DFT,mp-1007881
MMD-1041,Cr3Fe,4,16,cubic,Fm-3m [225],0.11,0.11,MP,0.48,0.48,.,.,.,.,.,.,DFT,mp-1008282
MMD-1042,Cr3Fe,1,4,cubic,Pm-3m [221],0.243,0.243,MP,0.02,0.02,.,.,.,.,.,.,DFT,mp-1008285
MMD-1043,FeN,4,8,cubic,Fm-3m [225],0.263,0.396,MP,1.12,1.54,<111>,.,.,.,-0.01,.,DFT,mp-1008929
MMD-1044,FeN,1,2,cubic,Pm-3m [221],0.742,0.875,MP,1.3,1.8,a,.,.,.,0,.,DFT,mp-1009019
MMD-1045,MnFe,1,2,tetragonal,P4/mmm [123],0.088,0.088,MP,0.47,0.52,ab plane,-0.65,.,.,.,.,DFT,mp-1009134
MMD-1046,Cr3Fe,2,8,tetragonal,I4/mmm [139],0.25,0.25,MP,0.13,0.14,.,.,.,.,.,.,DFT,mp-1017511
MMD-1047,CrFe3,4,16,cubic,Fm-3m [225],0.052,0.052,MP,1.37,1.4,.,.,.,.,.,.,DFT,mp-1018067
MMD-1048,FeSe,2,4,tetragonal,P4/nmm [129],0.25,0.519,MP,0.95,0.78,ab plane,-0.11,.,.,.,.,DFT,mp-1018075
MMD-1049,CrFe3,1,4,cubic,Pm-3m [221],0.037,0.037,MP,0.7,0.72,.,.,.,.,.,.,DFT,mp-1018081
MMD-1050,Fe3S4,3,21,trigonal,R3m [160],-0.15,0.368,MP,0.49,0.38,.,.,.,.,.,.,DFT,mp-10188
MMD-1051,NbFe3,1,4,cubic,Pm-3m [221],0.017,0.133,MP,1.12,1.01,a,.,.,.,0,.,DFT,mp-1065741
MMD-1052,FeSe,4,8,orthorhombic,Cmme [67],0.341,0.61,MP,1.44,0.79,a,-3.27,-2.9,0.37,.,.,DFT,mp-1066497
MMD-1053,Fe4C,2,10,tetragonal,I4/m [87],0.242,0.242,MP,0,0,.,.,.,.,.,.,DFT,mp-1070333
MMD-1054,Nb2Fe,8,24,cubic,Fd-3m [227],0.577,0.66,MP,0.8,0.54,a,.,.,.,0,.,DFT,mp-1071283
MMD-1055,FeNi2,8,24,cubic,Fd-3m [227],0.107,0.188,MP,1.36,1.36,<111>,.,.,.,0,.,DFT,mp-1072076
MMD-1056,Cr2Fe,8,24,cubic,Fd-3m [227],0.273,0.273,MP,0.58,0.57,.,.,.,.,.,.,DFT,mp-1077708
MMD-1057,Fe2Ni,8,24,cubic,Fd-3m [227],0.176,0.222,MP,1.6,1.61,<111>,.,.,.,0,.,DFT,mp-1077745
MMD-1058,NbFe2,8,24,cubic,Fd-3m [227],-0.155,0 (stable),MP,0.83,0.73,a,.,.,.,0,.,DFT,mp-1077790
MMD-1059,FeSe,4,8,orthorhombic,Pnma [62],-0.082,0.186,MP,1.19,0.86,b,3.68,-0.01,-3.69,.,.,DFT,mp-1078538
MMD-1060,Fe4C,2,10,monoclinic,P2_1/m [11],0.101,0.101,MP,1.49,1.75,c,0.12,0.06,-0.07,.,.,DFT,mp-1078579
MMD-1061,GaFe3,2,8,hexagonal,P6_3/mmc [194],-0.112,0.015,MP,1.65,1.59,ab plane,-1.6,.,.,.,.,DFT,mp-1078766
MMD-1062,FeSe,4,8,orthorhombic,Pnma [62],-0.062,0.207,MP,1.11,0.83,b,16.82,-38.31,-55.13,.,.,DFT,mp-1078945
MMD-1063,FeNi3,2,8,orthorhombic,Pmmn [59],-0.071,0.017,MP,1.16,1.22,a,-1.13,-0.11,1.01,.,.,DFT,mp-1079337
MMD-1064,V3Fe,2,8,cubic,Pm-3n [223],-0.176,0 (stable),MP,0,0,.,.,.,.,.,.,DFT,mp-1079399
MMD-1065,Feb-04,2,10,orthorhombic,Pnnm [58],-0.176,0 (stable),MP,0,0,.,.,.,.,.,.,DFT,mp-1079437
MMD-1066,FeN2,2,6,orthorhombic,Pnnm [58],0.179,0.268,MP,0.04,0.06,c,1.14,0.99,-0.15,.,.,DFT,mp-1080202
MMD-1067,FeB,8,16,tetragonal,I4_1/amd [141],-0.385,0 (stable),MP,0.68,0.99,c,0.56,.,.,.,.,DFT,mp-1080525
MMD-1068,Fe7Co,2,16,cubic,Im-3m [229],-0.025,0 (stable),MP,2.31,2.3,a,.,.,.,0.01,.,DFT,mp-1080603
MMD-1069,Fe3B,2,8,hexagonal,P6_322 [182],0.026,0.26,MP,1.5,1.65,c,0.45,.,.,.,.,DFT,mp-1080698
MMD-1070,FeSe,2,4,hexagonal,P6_3/mmc [194],-0.083,0.185,MP,1.16,0.85,ab plane,-3.52,.,.,.,.,DFT,mp-1090
MMD-1071,ScFe2,4,12,hexagonal,P6_3/mmc [194],-0.261,0.022,MP,0.92,0.75,c,0.56,.,.,.,.,DFT,mp-1095443
MMD-1072,Fe2Mo,4,12,hexagonal,P6_3/mmc [194],-0.011,0 (stable),MP,0.38,0.36,ab plane,-4.83,.,.,.,.,DFT,mp-1095682
MMD-1073,FeCo9,1,10,tetragonal,P4/mmm [123],0.619,0.633,MP,1.79,1.6,ab plane,-0.04,.,.,.,.,DFT,mp-1096987
MMD-1074,FeSe2,4,12,cubic,Pa-3 [205],-0.327,0.029,MP,0,0,.,.,.,.,.,.,DFT,mp-1103177
MMD-1075,Y2Fe17,3,57,trigonal,R-3m [166],-0.014,0.021,MP,1.97,1.71,ab plane,-1.57,.,.,.,.,DFT,mp-1105569
MMD-1076,YFe5,1,6,hexagonal,P6/mmm [191],-0.056,0 (stable),MP,1.62,1.32,ab plane,-2.19,.,.,.,.,DFT,mp-11385
MMD-1077,Zr2Fe,4,12,tetragonal,I4/mcm [140],-0.157,0.009,MP,0,0,.,.,.,.,.,.,DFT,mp-1159
MMD-1078,YFe2,20,60,tetragonal,I-4 [82],-0.076,0.001,MP,1.07,0.78,c,0.01,.,.,.,.,DFT,mp-1178773
MMD-1079,YFe2,64,192,cubic,I-43m [217],-0.075,0.002,MP,1.05,0.77,.,.,.,.,.,.,DFT,mp-1178900
MMD-1080,YFe2,32,96,cubic,I-43m [217],-0.076,0.001,MP,1.06,0.77,.,.,.,.,.,.,DFT,mp-1178900p
MMD-1081,Fe3Pt,1,4,tetragonal,P4/mmm [123],-0.079,0.041,MP,2.15,1.9,c,1.87,.,.,.,.,DFT,mp-11798
MMD-1082,Fe3B,8,32,tetragonal,I-4 [82],-0.206,0.028,MP,1.48,1.77,ab plane,-0.73,.,.,.,.,DFT,mp-1181327
MMD-1083,AlFe3,1,4,cubic,Pm-3m [221],-0.201,0 (stable),MP,1.72,1.65,a,.,.,.,0,.,DFT,mp-1183162
MMD-1084,Fe3Se,1,4,cubic,Pm-3m [221],0.308,0.442,MP,1.98,1.99,<111>,.,.,.,0,.,DFT,mp-1184256
MMD-1085,Fe3Cu,4,16,cubic,Fm-3m [225],0.179,0.179,MP,1.82,1.92,a,.,.,.,0,.,DFT,mp-1184260
MMD-1086,Fe3Cu,2,8,tetragonal,I4/mmm [139],0.13,0.13,MP,1.9,1.87,c,0.42,.,.,.,.,DFT,mp-1184311
MMD-1087,Fe3S,2,8,hexagonal,P6_3/mmc [194],0.141,0.395,MP,2.08,1.97,ab plane,-0.97,.,.,.,.,DFT,mp-1184373
MMD-1088,FeCu3,2,8,hexagonal,P6_3/mmc [194],0.172,0.172,MP,0.7,0.67,c,0.68,.,.,.,.,DFT,mp-1184444
MMD-1089,FeGe3,2,8,hexagonal,P6_3/mmc [194],0.424,0.485,MP,0.59,0.41,ab plane,-0.27,.,.,.,.,DFT,mp-1184472
MMD-1090,ScFe3,2,8,hexagonal,P6_3/mmc [194],0.023,0.235,MP,1.68,1.38,ab plane,-0.59,.,.,.,.,DFT,mp-1186986
MMD-1091,V3Fe,4,16,cubic,Fm-3m [225],-0.143,0.033,MP,0,0,.,.,.,.,.,.,DFT,mp-1187697
MMD-1092,ZrFe2,8,24,hexagonal,P6_3/mmc [194],-0.291,0.008,MP,1.03,0.82,ab plane,-0.29,.,.,.,.,DFT,mp-1190681
MMD-1093,ScFe2,8,24,hexagonal,P6_3/mmc [194],-0.274,0.008,MP,0.91,0.75,c,0.31,.,.,.,.,DFT,mp-1190697
MMD-1094,Ti2Fe,32,96,cubic,Fd-3m [227],-0.223,0.059,MP,0,0,.,.,.,.,.,.,DFT,mp-1192216
MMD-1095,YFe3,6,24,hexagonal,P6_3/mmc [194],-0.071,0 (stable),MP,1.39,1.06,ab plane,-0.78,.,.,.,.,DFT,mp-1192321
MMD-1096,NbFe2,8,24,hexagonal,P6_3/mmc [194],-0.146,0.008,MP,0.68,0.61,ab plane,-0.31,.,.,.,.,DFT,mp-1192350
MMD-1097,Fe23C6,4,116,cubic,Fm-3m [225],0.022,0.022,MP,1.6,1.89,.,.,.,.,.,.,DFT,mp-1192884
MMD-1098,Al8Fe5,4,52,cubic,I-43m [217],-0.279,0.038,MP,0.58,0.51,a,.,.,.,0,.,DFT,mp-1193259
MMD-1099,Fe25Mo4,2,58,cubic,I-43m [217],0.066,0.071,MP,1.6,1.56,a,.,.,.,0,.,DFT,mp-1193426
MMD-1100,Fe2B7,8,72,orthorhombic,Pbam [55],-0.193,0 (stable),MP,0.07,0.11,.,.,.,.,.,.,DFT,mp-1194531
MMD-1101,Y2Fe17,2,38,hexagonal,P6_3/mmc [194],-0.015,0.02,MP,2.02,1.74,ab plane,-1.12,.,.,.,.,DFT,mp-1196012
MMD-1102,Fe5Si3,8,64,cubic,Ia-3d [230],-0.209,0.206,MP,0.82,0.86,.,.,.,.,.,.,DFT,mp-1196624
MMD-1103,Fe3C,8,32,tetragonal,I-42m [121],0.125,0.125,MP,1.4,1.75,c,0.45,.,.,.,.,DFT,mp-1205436
MMD-1104,Fe3C,8,32,monoclinic,C2/m [12],0.121,0.121,MP,1.22,1.49,b,-0.08,-0.21,-0.13,.,.,DFT,mp-1205444
MMD-1105,Zn9Fe4,4,52,cubic,I-43m [217],-0.04,0 (stable),MP,0.67,0.56,.,.,.,.,.,.,DFT,mp-1207450
MMD-1106,FeN,2,4,hexagonal,P6_3/mmc [194],0.059,0.192,MP,0.84,1.21,ab plane,-5.58,.,.,.,.,DFT,mp-12120
MMD-1107,Fe7Ge4,2,22,hexagonal,P6_3/mmc [194],-0.072,0.039,MP,1.21,1.11,ab plane,-0.31,.,.,.,.,DFT,mp-1212970
MMD-1108,Fe13Mo9,4,88,monoclinic,C2/m [12],-0.01,0,MP,0.35,0.33,.,.,.,.,.,.,DFT,mp-1213182
MMD-1109,Al12Fe7,1,19,triclinic,P-1 [2],-0.315,0 (stable),MP,0.43,0.37,.,.,.,.,.,.,DFT,mp-1214901
MMD-1110,ZnFe,1,2,tetragonal,P4/mmm [123],-0.013,0.016,MP,1.17,1.06,ab plane,-0.42,.,.,.,.,DFT,mp-1215473
MMD-1111,Zn13Fe,2,28,monoclinic,C2/m [12],0.074,0.105,MP,0.14,0.11,.,.,.,.,.,.,DFT,mp-1215649
MMD-1112,Zn10Fe3,8,104,orthorhombic,Fmm2 [42],-0.035,0 (stable),MP,0.47,0.39,.,.,.,.,.,.,DFT,mp-1215735
MMD-1113,Zn9Fe4,4,52,monoclinic,Cm [8],0.045,0.085,MP,0.73,0.61,.,.,.,.,.,.,DFT,mp-1215884
MMD-1114,VFe4,4,20,orthorhombic,Fmmm [69],-0.049,0.058,MP,1.59,1.58,c,0.43,1.12,0.7,.,.,DFT,mp-1216329
MMD-1115,VFe,2,4,orthorhombic,Cmmm [65],-0.11,0.044,MP,0.63,0.6,c,0.56,1.83,1.26,.,.,DFT,mp-1216347
MMD-1116,VFe3,2,8,orthorhombic,Cmmm [65],-0.061,0.073,MP,1.43,1.41,c,0.4,1.33,0.93,.,.,DFT,mp-1216352
MMD-1117,Ti4Fe,4,20,orthorhombic,Fmmm [69],0.002,0.171,MP,0,0,.,.,.,.,.,.,DFT,mp-1217161
MMD-1118,Nb19Fe20,1,39,trigonal,P-3m1 [164],-0.128,0 (stable),MP,0.66,0.53,.,.,.,.,.,.,DFT,mp-1221162
MMD-1119,MnFe3,1,4,hexagonal,P-6m2 [187],0.056,0.056,MP,0,0,.,.,.,.,.,.,DFT,mp-1221628
MMD-1120,MnFe4,4,20,orthorhombic,Fmmm [69],0.034,0.034,MP,1.9,1.97,a,-0.34,-0.3,0.04,.,.,DFT,mp-1221635
MMD-1121,Mn7Fe3,2,20,monoclinic,P2_1 [4],0.088,0.088,MP,0.01,0.01,.,.,.,.,.,.,DFT,mp-1221991
MMD-1122,Fe2Pt,1,3,trigonal,P-3m1 [164],0.113,0.273,MP,1.84,1.73,c,6.59,.,.,.,.,DFT,mp-1224692
MMD-1123,Fe2Ni,1,3,trigonal,P-3m1 [164],0.046,0.091,MP,1.9,1.93,c,1.21,.,.,.,.,DFT,mp-1224697
MMD-1124,Fe2N,1,3,trigonal,P-3m1 [164],0.082,0.172,MP,1.3,1.57,ab plane,-4.32,.,.,.,.,DFT,mp-1224698
MMD-1125,Fe3Pt,3,12,trigonal,R-3m [166],0.024,0.144,MP,2.11,1.86,c,4.47,.,.,.,.,DFT,mp-1224766
MMD-1126,Fe3Ni,2,8,orthorhombic,Cmmm [65],0.002,0.037,MP,2.01,2.03,b,-0.11,-0.85,-0.74,.,.,DFT,mp-1224780
MMD-1127,GaFe2,1,3,trigonal,P-3m1 [164],0.096,0.237,MP,1.59,1.44,c,3.78,.,.,.,.,DFT,mp-1224826
MMD-1128,Fe3Ni,3,12,trigonal,R-3m [166],0.089,0.123,MP,2.02,2.09,c,1.39,.,.,.,.,DFT,mp-1224827
MMD-1129,GaFe2,4,12,orthorhombic,Fmmm [69],0.002,0.144,MP,1.51,1.39,c,1.04,0.43,-0.61,.,.,DFT,mp-1224880
MMD-1130,GaFe4,4,20,orthorhombic,Fmmm [69],0.011,0.112,MP,1.81,1.74,c,0.61,0.4,-0.21,.,.,DFT,mp-1224889
MMD-1131,GaFe3,2,8,orthorhombic,Cmmm [65],0.004,0.131,MP,1.72,1.61,c,0.79,0.48,-0.31,.,.,DFT,mp-1224892
MMD-1132,GaFe,1,2,hexagonal,P-6m2 [187],-0.046,0.125,MP,1.02,0.9,c,4.55,.,.,.,.,DFT,mp-1224926
MMD-1133,FeMo2,4,12,orthorhombic,Fmmm [69],0.073,0.078,MP,0.68,0.54,a,-0.21,0.51,0.72,.,.,DFT,mp-1224941
MMD-1134,FeCu,2,4,orthorhombic,Cmmm [65],0.167,0.167,MP,1.28,1.27,c,2.69,2.96,0.27,.,.,DFT,mp-1224945
MMD-1135,FeCu3,2,8,orthorhombic,Cmmm [65],0.106,0.106,MP,0.66,0.64,c,1.13,1.45,0.31,.,.,DFT,mp-1224953
MMD-1136,FeNi,2,4,orthorhombic,Cmmm [65],0.015,0.084,MP,1.64,1.7,b,0.58,-0.73,-1.32,.,.,DFT,mp-1224965
MMD-1137,FeNi,3,6,trigonal,R-3m [166],0.002,0.071,MP,1.61,1.66,c,0.77,.,.,.,.,DFT,mp-1224976
MMD-1138,FeCu4,3,15,trigonal,R-3m [166],0.065,0.065,MP,0.5,0.5,c,1.95,.,.,.,.,DFT,mp-1224977
MMD-1139,Fe3Ni2,2,10,tetragonal,P4/mmm [123],-0.034,0.021,MP,1.79,1.83,c,0.31,.,.,.,.,DFT,mp-1225009
MMD-1140,FeCo,2,4,orthorhombic,Cmmm [65],-0.021,0.047,MP,2.19,2.22,b,-0.85,-1.13,-0.27,.,.,DFT,mp-1225016
MMD-1141,FeNi3,3,12,trigonal,R-3m [166],-0.011,0.077,MP,1.11,1.17,c,0.35,.,.,.,.,DFT,mp-1225078
MMD-1142,FeCo3,1,4,tetragonal,P4/mmm [123],0.03,0.065,MP,1.82,1.98,ab plane,0,.,.,.,.,DFT,mp-1225083
MMD-1143,Fe3Cu,2,8,orthorhombic,Cmmm [65],0.066,0.066,MP,1.86,1.84,c,1.1,1.38,0.28,.,.,DFT,mp-1225131
MMD-1144,Fe4Si,4,20,orthorhombic,Fmmm [69],-0.072,0.184,MP,1.77,1.76,a,-0.32,0.2,0.52,.,.,DFT,mp-1225135
MMD-1145,Fe2Si,2,6,tetragonal,I4/mmm [139],-0.26,0.124,MP,0.79,0.85,c,2.04,.,.,.,.,DFT,mp-1225177
MMD-1146,Fe2Si,2,6,tetragonal,P4/mmm [123],-0.316,0.067,MP,0.76,0.81,c,1.3,.,.,.,.,DFT,mp-1225186
MMD-1147,Fe3Ge2,1,5,hexagonal,P-6m2 [187],-0.07,0.043,MP,1.14,0.97,ab plane,-0.5,.,.,.,.,DFT,mp-1225197
MMD-1148,Fe4N,3,15,trigonal,R-3m [166],0.155,0.21,MP,1.32,1.58,ab plane,-0.41,.,.,.,.,DFT,mp-1225203
MMD-1149,Fe3Si,1,4,tetragonal,P4/mmm [123],-0.226,0.094,MP,1.26,1.32,c,2.2,.,.,.,.,DFT,mp-1225210
MMD-1150,Fe4Mo,2,10,tetragonal,I4/mmm [139],0.175,0.182,MP,1.79,1.66,ab plane,-1.06,.,.,.,.,DFT,mp-1225226
MMD-1151,Fe3Ge2,1,5,trigonal,P-3m1 [164],0.014,0.128,MP,1.02,0.87,ab plane,-0.59,.,.,.,.,DFT,mp-1225239
MMD-1152,Fe7Ge4,1,11,hexagonal,P-6m2 [187],-0.057,0.054,MP,1.17,1.05,ab plane,-0.34,.,.,.,.,DFT,mp-1225358
MMD-1153,CrFe,2,4,orthorhombic,Cmmm [65],0.076,0.076,MP,0.93,0.94,.,.,.,.,.,.,DFT,mp-1226211
MMD-1154,CrFe4,4,20,orthorhombic,Fmmm [69],0.013,0.013,MP,1.68,1.71,.,.,.,.,.,.,DFT,mp-1226230
MMD-1155,Fe4C,1,5,cubic,P-43m [215],0.479,0.479,MP,1.66,1.71,<111>,.,.,.,-0.42,.,DFT,mp-1246
MMD-1156,Fe3C,2,8,hexagonal,P6_322 [182],0.016,0.016,MP,1.48,1.69,c,0.48,.,.,.,.,DFT,mp-13154
MMD-1157,VFe,1,2,cubic,Pm-3m [221],-0.137,0.018,MP,0.4,0.39,a,.,.,.,0,.,DFT,mp-1335
MMD-1158,Y3Fe29,2,64,monoclinic,C2/m [12],-0.011,0.021,MP,1.99,1.75,.,.,.,.,.,.,DFT,mp-13412
MMD-1159,FeNi3,1,4,cubic,Pm-3m [221],-0.088,0 (stable),MP,1.21,1.27,<111>,.,.,.,0,.,DFT,mp-1418
MMD-1160,FeS2,2,6,orthorhombic,Pnnm [58],-0.528,0 (stable),MP,0,0,.,.,.,.,.,.,DFT,mp-1522
MMD-1161,YFe2,8,24,cubic,Fd-3m [227],-0.077,0 (stable),MP,1.08,0.78,<111>,.,.,.,0,.,DFT,mp-1570
MMD-1162,Fe3Pt,1,4,cubic,Pm-3m [221],-0.08,0.04,MP,2.12,1.9,<111>,.,.,.,-0.18,.,DFT,mp-1649
MMD-1163,FeSi2,16,48,orthorhombic,Cmce [64],-0.444,0 (stable),MP,0,0,.,.,.,.,.,.,DFT,mp-1714
MMD-1164,ZrFe2,8,24,cubic,Fd-3m [227],-0.299,0 (stable),MP,1.03,0.82,<111>,.,.,.,0,.,DFT,mp-1718
MMD-1165,Zn13Fe,2,28,monoclinic,C2/m [12],-0.031,0 (stable),MP,0.04,0.03,.,.,.,.,.,.,DFT,mp-1722
MMD-1166,Zr2Fe,32,96,cubic,Fd-3m [227],-0.1,0.066,MP,0.15,0.09,.,.,.,.,.,.,DFT,mp-17682
MMD-1167,Fe12As5,3,51,trigonal,R32 [155],-0.054,0.053,MP,1.38,1.28,.,.,.,.,.,.,DFT,mp-17977
MMD-1168,Fe3N,2,8,hexagonal,P6_322 [182],-0.068,0 (stable),MP,1.54,1.76,ab plane,-0.36,.,.,.,.,DFT,mp-1804
MMD-1169,Fe7C3,2,20,hexagonal,P6_3mc [186],0.036,0.036,MP,1.18,1.51,c,0.22,.,.,.,.,DFT,mp-18257
MMD-1170,Fe15Co,1,16,cubic,Pm-3m [221],-0.015,0 (stable),MP,2.25,2.27,a,.,.,.,0.01,.,DFT,mp-18695
MMD-1171,Fe3P,8,32,tetragonal,I-4 [82],-0.357,0 (stable),MP,1.42,1.48,c,0.01,.,.,.,.,DFT,mp-18708
MMD-1172,Fe2C,2,6,orthorhombic,Pnnm [58],0.006,0.006,MP,1.07,1.32,a,-1.01,0.29,1.3,.,.,DFT,mp-1871
MMD-1173,Fe2B,4,12,tetragonal,I4/mcm [140],-0.312,0 (stable),MP,1.23,1.59,ab plane,-0.38,.,.,.,.,DFT,mp-1915
MMD-1174,Fe11Si5,1,16,cubic,Pm-3m [221],-0.351,0.016,MP,0.79,0.85,a,.,.,.,0,.,DFT,mp-19800
MMD-1175,GaFe3,1,4,cubic,Pm-3m [221],-0.127,0 (stable),MP,1.74,1.66,a,.,.,.,0,.,DFT,mp-19870
MMD-1176,FeP2,2,6,orthorhombic,Pnnm [58],-0.545,0 (stable),MP,0,0,.,.,.,.,.,.,DFT,mp-20027
MMD-1177,FeAs2,2,6,orthorhombic,Pnnm [58],-0.25,0 (stable),MP,0,0,.,.,.,.,.,.,DFT,mp-2008
MMD-1178,FeSe,1,2,cubic,Pm-3m [221],0.25,0.519,MP,0.95,0.78,a,.,.,.,0.01,.,DFT,mp-20120
MMD-1179,AlFe3,4,16,cubic,Fm-3m [225],-0.197,0.004,MP,1.49,1.47,<111>,.,.,.,0,.,DFT,mp-2018
MMD-1180,FeSe,2,4,tetragonal,P4/nmm [129],-0.268,0 (stable),MP,0.04,0.02,.,.,.,.,.,.,DFT,mp-20311
MMD-1181,Fe3Ge,1,4,cubic,Pm-3m [221],-0.097,0.005,MP,1.6,1.56,a,.,.,.,0.01,.,DFT,mp-20344
MMD-1182,Fe2As,2,6,tetragonal,P4/nmm [129],-0.051,0.07,MP,1.09,0.98,ab plane,-0.2,.,.,.,.,DFT,mp-20426
MMD-1183,Fe2Ge,2,6,hexagonal,P6_3/mmc [194],-0.03,0.079,MP,1.31,1.24,ab plane,-0.9,.,.,.,.,DFT,mp-20432
MMD-1184,Fe3Ge,4,16,cubic,Fm-3m [225],-0.102,0 (stable),MP,1.42,1.39,a,.,.,.,0,.,DFT,mp-20711
MMD-1185,FeSi2,1,3,tetragonal,P4/mmm [123],-0.383,0.061,MP,0,0,.,.,.,.,.,.,DFT,mp-20738
MMD-1186,FeB,4,8,orthorhombic,Pnma [62],-0.376,0.009,MP,0.58,0.85,a,-0.06,0.32,0.38,.,.,DFT,mp-20787
MMD-1187,Fe4P,1,5,cubic,Pm-3m [221],0.411,0.696,MP,1.9,1.57,a,.,.,.,0.01,.,DFT,mp-20885
MMD-1188,FeCo,1,2,cubic,Pm-3m [221],-0.068,0 (stable),MP,2.25,2.29,a,.,.,.,0,.,DFT,mp-2090
MMD-1189,FeS,2,4,hexagonal,P6_3/mmc [194],-0.249,0.26,MP,0.1,0.09,c,0.03,.,.,.,.,DFT,mp-2099
MMD-1190,Fe3Ge,2,8,hexagonal,P6_3/mmc [194],-0.093,0.009,MP,1.6,1.55,ab plane,-0.27,.,.,.,.,DFT,mp-21078
MMD-1191,FeGe2,4,12,tetragonal,I4/mcm [140],-0.061,0.02,MP,0.4,0.33,ab plane,-1.52,.,.,.,.,DFT,mp-21117
MMD-1192,FeGe,4,8,cubic,P2_13 [198],-0.091,0.031,MP,0.53,0.48,<111>,.,.,.,0,.,DFT,mp-21255
MMD-1193,FeS,4,8,orthorhombic,Pnma [62],-0.286,0.223,MP,0,0,.,.,.,.,.,.,DFT,mp-21410
MMD-1194,Fe2N,4,12,orthorhombic,Pbcn [60],-0.032,0.058,MP,0.99,1.23,b,1.16,-0.37,-1.53,.,.,DFT,mp-21476
MMD-1195,Fe3S4,8,56,cubic,Fd-3m [227],-0.354,0.164,MP,0.56,0.43,.,.,.,.,.,.,DFT,mp-21515
MMD-1196,Fe7S8,3,45,trigonal,P3_1 [144],-0.353,0.16,MP,0.45,0.39,.,.,.,.,.,.,DFT,mp-21688
MMD-1197,Fe7C3,4,40,orthorhombic,Pnma [62],0.021,0.021,MP,1.2,1.53,a,-0.26,0.26,0.53,.,.,DFT,mp-21717
MMD-1198,Fe3Si,4,16,cubic,Fm-3m [225],-0.32,0 (stable),MP,1.25,1.32,a,.,.,.,0,.,DFT,mp-2199
MMD-1199,FeNi,1,2,tetragonal,P4/mmm [123],-0.069,0 (stable),MP,1.63,1.69,c,0.3,.,.,.,.,DFT,mp-2213
MMD-1200,FeGe,3,6,hexagonal,P6/mmm [191],-0.122,0 (stable),MP,0.66,0.53,c,0.47,.,.,.,.,DFT,mp-22478
MMD-1201,FeGe,8,16,monoclinic,C2/m [12],-0.099,0.023,MP,0.72,0.61,a,-0.98,0.11,1.08,.,.,DFT,mp-22510
MMD-1202,FeS2,4,12,cubic,Pa-3 [205],-0.519,0.009,MP,0,0,.,.,.,.,.,.,DFT,mp-226
MMD-1203,FePt,1,2,tetragonal,P4/mmm [123],-0.24,0 (stable),MP,1.66,1.37,c,15.97,.,.,.,.,DFT,mp-2260
MMD-1204,FeS,12,24,monoclinic,P2_1/c [14],-0.349,0.16,MP,0.12,0.11,.,.,.,.,.,.,DFT,mp-22652
MMD-1205,Fe2Si,2,6,trigonal,P-3m1 [164],-0.38,0.004,MP,0.68,0.73,ab plane,-0.69,.,.,.,.,DFT,mp-22787
MMD-1206,TiFe2,4,12,hexagonal,P6_3/mmc [194],-0.294,0 (stable),MP,0.87,0.79,ab plane,-0.3,.,.,.,.,DFT,mp-2454
MMD-1207,Fe2N,3,9,trigonal,P-31m [162],-0.028,0.061,MP,0.98,1.22,ab plane,-1.47,.,.,.,.,DFT,mp-248
MMD-1208,AlFe,1,2,cubic,Pm-3m [221],-0.33,0 (stable),MP,0.36,0.35,<111>,.,.,.,-0.03,.,DFT,mp-2658
MMD-1209,FeP4,6,30,monoclinic,P2_1/c [14],-0.378,0.001,MP,0,0,.,.,.,.,.,.,DFT,mp-27164
MMD-1210,FeS,12,24,hexagonal,P-62c [190],-0.219,0.29,MP,1.13,0.92,ab plane,-1.52,.,.,.,.,DFT,mp-2779
MMD-1211,Fe3Se4,2,14,monoclinic,C2/m [12],-0.231,0.075,MP,0.63,0.45,.,.,.,.,.,.,DFT,mp-2780
MMD-1212,Fe12N5,2,34,trigonal,P-31m [162],-0.052,0.027,MP,1.23,1.47,ab plane,-1.54,.,.,.,.,DFT,mp-27908
MMD-1213,Fe5C2,4,28,monoclinic,C2/c [15],0.017,0.017,MP,1.2,1.52,a,-1.17,-0.91,0.26,.,.,DFT,mp-2794
MMD-1214,TiFe,1,2,cubic,Pm-3m [221],-0.422,0 (stable),MP,0,0,.,.,.,.,.,.,DFT,mp-305
MMD-1215,Y6Fe23,4,116,cubic,Fm-3m [225],-0.051,0.012,MP,1.71,1.33,.,.,.,.,.,.,DFT,mp-30641
MMD-1216,Sc29Fe6,4,140,cubic,Pm-3 [200],-0.043,0.03,MP,0,0,.,.,.,.,.,.,DFT,mp-30702
MMD-1217,AlFe2,8,24,cubic,Fd-3m [227],-0.11,0.134,MP,1.16,1.08,a,.,.,.,0,.,DFT,mp-31184
MMD-1218,Zr3Fe,4,16,orthorhombic,Cmcm [63],-0.133,0 (stable),MP,0.01,0,.,.,.,.,.,.,DFT,mp-31205
MMD-1219,FeAs,4,8,orthorhombic,Pnma [62],-0.182,0 (stable),MP,0.27,0.23,c,0.31,0.4,0.09,.,.,DFT,mp-427
MMD-1220,Fe5Si3,2,16,hexagonal,P6_3/mcm [193],-0.383,0.033,MP,0.95,0.98,ab plane,-2.46,.,.,.,.,DFT,mp-449
MMD-1221,FeS,2,4,tetragonal,P4/nmm [129],-0.509,0 (stable),MP,0,0,.,.,.,.,.,.,DFT,mp-505531
MMD-1222,Fe3C,4,16,orthorhombic,Pnma [62],0.02,0.02,MP,1.39,1.7,c,0.24,1.01,0.77,.,.,DFT,mp-510623
MMD-1223,Fe4N,1,5,cubic,Pm-3m [221],0.013,0.067,MP,1.54,1.81,a,.,.,.,0.01,.,DFT,mp-535
MMD-1224,ScFe2,8,24,cubic,Fd-3m [227],-0.282,0 (stable),MP,0.91,0.75,<111>,.,.,.,0,.,DFT,mp-540
MMD-1225,Ga4Fe3,6,42,monoclinic,C2/m [12],-0.163,0.02,MP,0.79,0.67,.,.,.,.,.,.,DFT,mp-540538
MMD-1226,Fe7Se8,3,45,trigonal,P3_121 [152],-0.136,0.15,MP,0.86,0.62,.,.,.,.,.,.,DFT,mp-540702
MMD-1227,Fe23B6,4,116,cubic,Fm-3m [225],-0.173,0.021,MP,1.66,1.89,.,.,.,.,.,.,DFT,mp-542758
MMD-1228,Fe7S8,4,60,monoclinic,C2/c [15],-0.391,0.122,MP,0.21,0.18,.,.,.,.,.,.,DFT,mp-542794
MMD-1229,Fe8N,2,18,tetragonal,I4/mmm [139],-0.03,0,MP,2.13,2.21,c,0.72,.,.,.,.,DFT,mp-555
MMD-1230,Fe7S8,3,45,trigonal,P3_121 [152],-0.393,0.12,MP,0.19,0.17,.,.,.,.,.,.,DFT,mp-556435
MMD-1231,Fe2Ge,1,3,hexagonal,P6/mmm [191],0.226,0.335,MP,1.67,1.48,c,2.22,.,.,.,.,DFT,mp-568258
MMD-1232,FeP4,4,20,orthorhombic,C222_1 [20],-0.365,0.014,MP,0,0,.,.,.,.,.,.,DFT,mp-568328
MMD-1233,Fe2B,1,3,tetragonal,P4/mmm [123],0.058,0.37,MP,1.36,1.55,c,1.29,.,.,.,.,DFT,mp-568748
MMD-1234,NbFe2,4,12,hexagonal,P6_3/mmc [194],-0.147,0.007,MP,0.74,0.66,c,0.41,.,.,.,.,DFT,mp-568901
MMD-1235,Fe3Se4,1,7,trigonal,P-3m1 [164],-0.138,0.168,MP,0.77,0.5,c,5.2,.,.,.,.,DFT,mp-569240
MMD-1236,Feb-02,1,3,hexagonal,P6/mmm [191],-0.055,0.215,MP,0.24,0.38,c,1.01,.,.,.,.,DFT,mp-569376
MMD-1237,Fe7Mo6,3,39,trigonal,R-3m [166],-0.01,0 (stable),MP,0.51,0.46,ab plane,-0.36,.,.,.,.,DFT,mp-569594
MMD-1238,Al6Fe,4,28,orthorhombic,Cmcm [63],-0.195,0 (stable),MP,0,0,.,.,.,.,.,.,DFT,mp-570001
MMD-1239,FeP4,8,40,monoclinic,C2/c [15],-0.379,0 (stable),MP,0,0,.,.,.,.,.,.,DFT,mp-570553
MMD-1240,Ga5Fe6,4,44,monoclinic,C2/m [12],-0.133,0.029,MP,1.11,0.98,b,-0.37,-0.84,-0.46,.,.,DFT,mp-570920
MMD-1241,Zr6Fe23,4,116,cubic,Fm-3m [225],-0.179,0.007,MP,1.52,1.29,.,.,.,.,.,.,DFT,mp-582924
MMD-1242,Fe3Co,1,4,tetragonal,P4/mmm [123],-0.051,0 (stable),MP,2.32,2.34,c,4.55,.,.,.,.,DFT,mp-601820
MMD-1243,Fe13Ge3,1,16,cubic,Pm-3m [221],-0.077,0 (stable),MP,1.68,1.67,a,.,.,.,0,.,DFT,mp-601833
MMD-1244,Fe9Co7,1,16,cubic,Pm-3m [221],-0.068,0 (stable),MP,2.29,2.3,a,.,.,.,0,.,DFT,mp-601842
MMD-1245,Fe11Co5,1,16,tetragonal,P4/mmm [123],-0.061,0 (stable),MP,2.31,2.32,c,0.02,.,.,.,.,DFT,mp-601848
MMD-1246,Fe3C,4,16,orthorhombic,Pnma [62],0.083,0.083,MP,1.42,1.6,b,0.12,-0.63,-0.75,.,.,DFT,mp-613523
MMD-1247,FeS2,4,12,orthorhombic,Pcca [54],-0.088,0.44,MP,0.84,0.57,a,-0.69,-0.1,0.58,.,.,DFT,mp-615366
MMD-1248,FeS,8,16,hexagonal,P6_3mc [186],-0.283,0.226,MP,0,0,.,.,.,.,.,.,DFT,mp-616476
MMD-1249,Ga3Fe,4,16,tetragonal,P4_2/mnm [136],-0.214,0 (stable),MP,0,0,.,.,.,.,.,.,DFT,mp-636368
MMD-1250,Fe6Ge5,4,44,monoclinic,C2/m [12],-0.087,0.031,MP,0.85,0.77,b,0.66,-0.24,-0.91,.,.,DFT,mp-636946
MMD-1251,FeGe2,16,48,orthorhombic,Cmce [64],0.002,0.083,MP,0,0,.,.,.,.,.,.,DFT,mp-640708
MMD-1252,Fe13Co3,1,16,tetragonal,P4/mmm [123],-0.038,0,MP,2.34,2.34,c,0.09,.,.,.,.,DFT,mp-641526
MMD-1253,Fe5C2,4,28,monoclinic,P2/c [13],0.019,0.019,MP,1.22,1.53,b,0.67,-0.09,-0.76,.,.,DFT,mp-645339
MMD-1254,FePt3,1,4,cubic,Pm-3m [221],-0.18,0 (stable),MP,1.07,0.86,a,.,.,.,0.2,.,DFT,mp-649
MMD-1255,GaFe3,4,16,cubic,Fm-3m [225],-0.088,0.039,MP,1.58,1.52,<111>,.,.,.,0,.,DFT,mp-672661
MMD-1256,Fe8N3,6,66,monoclinic,C2 [5],-0.056,0.018,MP,1.35,1.59,.,.,.,.,.,.,DFT,mp-673174
MMD-1257,Fe3N,8,32,trigonal,P312 [149],-0.064,0.004,MP,1.51,1.74,ab plane,-0.61,.,.,.,.,DFT,mp-673635
MMD-1258,Fe2S,14,42,monoclinic,Cm [8],-0.047,0.293,MP,1.29,1.21,.,.,.,.,.,.,DFT,mp-684641
MMD-1259,Fe7S12,4,76,monoclinic,Pc [7],-0.287,0.237,MP,0,0,.,.,.,.,.,.,DFT,mp-684707
MMD-1260,Fe2N,6,18,orthorhombic,P2_12_12 [18],-0.031,0.058,MP,0.97,1.2,c,1.26,0.1,-1.16,.,.,DFT,mp-684744
MMD-1261,Fe24N11,4,140,monoclinic,C2/c [15],-0.035,0.05,MP,1.1,1.34,.,.,.,.,.,.,DFT,mp-684887
MMD-1262,Fe3Se4,1,7,triclinic,P-1 [2],0.193,0.499,MP,0.76,0.56,.,.,.,.,.,.,DFT,mp-684963
MMD-1263,Fe7S8,2,30,monoclinic,P2_1/c [14],-0.354,0.159,MP,0.15,0.13,.,.,.,.,.,.,DFT,mp-685128
MMD-1264,FeN,4,8,cubic,F-43m [216],-0.133,0 (stable),MP,0,0,.,.,.,.,.,.,DFT,mp-6988
MMD-1265,Fe3S4,3,21,trigonal,R-3m [166],-0.309,0.208,MP,0.19,0.15,.,.,.,.,.,.,DFT,mp-7096
MMD-1266,FeSe2,2,6,orthorhombic,Pnnm [58],-0.355,0 (stable),MP,0,0,.,.,.,.,.,.,DFT,mp-760
MMD-1267,Fe2P,3,9,hexagonal,P-62m [189],-0.461,0 (stable),MP,0.99,1.03,c,2,.,.,.,.,DFT,mp-778
MMD-1268,FeS,2,4,trigonal,P-3m1 [164],-0.247,0.262,MP,0.47,0.42,ab plane,-4.4,.,.,.,.,DFT,mp-849057
MMD-1269,FeS2,4,12,monoclinic,P2/c [13],-0.088,0.441,MP,0.85,0.57,b,-0.04,-0.54,-0.51,.,.,DFT,mp-850009
MMD-1270,Fe3S4,4,28,monoclinic,C2/m [12],-0.341,0.176,MP,0,0,.,.,.,.,.,.,DFT,mp-850032
MMD-1271,Fe4S5,2,18,tetragonal,P4/n [85],-0.452,0.064,MP,0,0,.,.,.,.,.,.,DFT,mp-850083
MMD-1272,Fe7S8,2,30,monoclinic,P2_1/c [14],-0.356,0.157,MP,0.17,0.15,.,.,.,.,.,.,DFT,mp-850411
MMD-1273,Fe2S,14,42,monoclinic,Cm [8],-0.017,0.322,MP,1.17,1.1,.,.,.,.,.,.,DFT,mp-851357
MMD-1274,VFe3,4,16,cubic,Fm-3m [225],-0.134,0 (stable),MP,1.24,1.23,a,.,.,.,0,.,DFT,mp-866134
MMD-1275,FeSi,4,8,cubic,P2_13 [198],-0.511,0 (stable),MP,0,0,.,.,.,.,.,.,DFT,mp-871
MMD-1276,Fe2S3,6,30,trigonal,R-3c [167],-0.408,0.113,MP,0.35,0.29,.,.,.,.,.,.,DFT,mp-952567
MMD-1277,Fe7Se3,4,40,orthorhombic,Pnma [62],0.103,0.264,MP,1.74,1.44,c,0.02,1.24,1.22,.,.,DFT,mp-952967
MMD-1278,Fe3B,4,16,orthorhombic,Pnma [62],-0.218,0.016,MP,1.51,1.8,b,0.15,-0.32,-0.48,.,.,DFT,mp-973682
MMD-1279,Al3Fe,2,8,hexagonal,P6_3/mmc [194],-0.155,0.097,MP,0.1,0.08,ab plane,-0.12,.,.,.,.,DFT,mp-984873
MMD-1280,Fe3Mo,2,8,hexagonal,P6_3/mmc [194],0.064,0.072,MP,0.32,0.31,c,0.09,.,.,.,.,DFT,mp-985475
MMD-1281,AlFe,1,2,hexagonal,P6/mmm [191],0.485,0.816,MP,1.17,0.98,c,4.78,.,.,.,.,DFT,mp-985578
MMD-1282,AlFe2,1,3,hexagonal,P6/mmm [191],-0.143,0.101,MP,1.5,1.38,ab plane,-0.32,.,.,.,.,DFT,mp-985579
MMD-1283,Fe3Ni,1,4,cubic,Pm-3m [221],0.042,0.077,MP,2.04,2.06,a,.,.,.,0,.,DFT,mp-999189
MMD-1284,NbFe3,4,16,cubic,Fm-3m [225],-0.068,0.047,MP,1.29,1.16,a,.,.,.,0,.,DFT,mp-999389
MMD-1285,NbFe3,2,8,tetragonal,I4/mmm [139],0.009,0.125,MP,1.41,1.24,c,0.3,.,.,.,.,DFT,mp-999391
MMD-1286,Nb3Fe,4,16,cubic,Fm-3m [225],0.011,0.073,MP,0,0,.,.,.,.,.,.,DFT,mp-999395
MMD-1287,Nb3Fe,2,8,tetragonal,I4/mmm [139],0.193,0.256,MP,0.28,0.19,c,0.13,.,.,.,.,DFT,mp-999438
MMD-1288,Nb3Fe,1,4,cubic,Pm-3m [221],0.264,0.327,MP,0.61,0.43,.,.,.,.,.,.,DFT,mp-999440
MMD-1289,MnFe3,1,4,tetragonal,P4/mmm [123],0.05,0.05,MP,1.84,1.89,c,0.07,.,.,.,.,DFT,mp-999542
MMD-1290,Mn3Fe,1,4,orthorhombic,Pmmm [47],0.116,0.116,MP,0.39,0.41,a,-3.59,2.55,6.14,.,.,DFT,mp-999545
MMD-1291,FeS2,4,12,tetragonal,I-42d [122],-0.17,0.358,MP,0,0,.,.,.,.,.,.,DFT,mvc-11070
MMD-1292,FeS2,3,9,trigonal,R-3m [166],-0.324,0.204,MP,0.6,0.33,ab plane,-1.03,.,.,.,.,DFT,mvc-11234
MMD-1293,FeS2,16,48,cubic,Fd-3m [227],-0.284,0.244,MP,0.61,0.43,.,.,.,.,.,.,DFT,mvc-11411
MMD-1294,FeS2,12,36,trigonal,R-3m [166],-0.284,0.245,MP,0.61,0.42,ab plane,-0.45,.,.,.,.,DFT,mvc-13558
MMD-1295,CoNi,1,2,cubic,Pm-3m [221],0.156,0.172,MP,1.18,1.24,a,.,.,.,0,.,DFT,mp-1006883
MMD-1296,CoMo,1,2,cubic,Pm-3m [221],0.254,0.296,MP,1.04,0.9,a,.,.,.,0,.,DFT,mp-1006884
MMD-1297,Co3Mo,1,4,cubic,Pm-3m [221],-0.008,0.055,MP,0.17,0.17,<111>,.,.,.,0,.,DFT,mp-1008279
MMD-1298,Co3Ni,1,4,cubic,Pm-3m [221],-0.001,0.023,MP,1.42,1.53,a,.,.,.,0,.,DFT,mp-1008349
MMD-1299,CoN,1,2,cubic,Pm-3m [221],0.991,0.991,MP,0.6,0.87,<111>,.,.,.,-0.01,.,DFT,mp-1008985
MMD-1300,Co3N5,1,8,cubic,Fm-3m [225],0.473,0.473,MP,0.03,0.15,a,.,.,.,0.01,.,DFT,mp-1009078
MMD-1301,MnCo,1,2,cubic,Pm-3m [221],0.029,0.039,MP,1.98,2.15,a,.,.,.,0.01,.,DFT,mp-1009133
MMD-1302,NbCo,1,2,cubic,Pm-3m [221],-0.048,0.125,MP,0.88,0.71,a,.,.,.,0,.,DFT,mp-1009264
MMD-1303,NbCo3,1,4,cubic,Pm-3m [221],-0.167,0.012,MP,0,0,.,.,.,.,.,.,DFT,mp-1018021
MMD-1304,AlCo3,1,4,cubic,Pm-3m [221],-0.178,0.119,MP,0.97,0.99,<111>,.,.,.,-0.02,.,DFT,mp-1018101
MMD-1305,CoAs2,2,6,orthorhombic,Pnnm [58],-0.288,0.02,MP,0,0,.,.,.,.,.,.,DFT,mp-1018672
MMD-1306,CoGe,4,8,cubic,P2_13 [198],-0.187,0.014,MP,0,0,.,.,.,.,.,.,DFT,mp-10692
MMD-1307,Zr3Co,2,8,hexagonal,P6_3/mmc [194],0.113,0.331,MP,0,0,.,.,.,.,.,.,DFT,mp-1079065
MMD-1308,Co2As,3,9,hexagonal,P-62m [189],-0.083,0.092,MP,0.38,0.36,c,1,.,.,.,.,DFT,mp-1079254
MMD-1309,Co3Si,2,8,hexagonal,P6_3/mmc [194],-0.266,0.072,MP,0.7,0.77,ab plane,-2.71,.,.,.,.,DFT,mp-1079393
MMD-1310,TiCo3,2,8,hexagonal,P6_3/mmc [194],-0.221,0.035,MP,0.69,0.68,ab plane,-1.61,.,.,.,.,DFT,mp-1079863
MMD-1311,AlCo3,2,8,hexagonal,P6_3/mmc [194],-0.199,0.098,MP,0.94,0.97,ab plane,-0.04,.,.,.,.,DFT,mp-1080667
MMD-1312,Co2Si3,4,20,tetragonal,P-4c2 [116],-0.327,0.201,MP,0,0,.,.,.,.,.,.,DFT,mp-1105498
MMD-1313,Y3Co,4,16,orthorhombic,Pnma [62],-0.138,0 (stable),MP,0,0,.,.,.,.,.,.,DFT,mp-1105598
MMD-1314,GaCo,1,2,cubic,Pm-3m [221],-0.236,0 (stable),MP,0.04,0.04,<111>,.,.,.,-0.16,.,DFT,mp-1121
MMD-1315,Co3Mo,2,8,hexagonal,P6_3/mmc [194],-0.063,0 (stable),MP,0.23,0.23,c,0.03,.,.,.,.,DFT,mp-1139
MMD-1316,CoS,2,4,tetragonal,P4/nmm [129],-0.425,0.051,MP,0.23,0.15,c,0.91,.,.,.,.,DFT,mp-1147746
MMD-1317,Co3Se4,2,14,monoclinic,C2/m [12],-0.26,0.019,MP,0.11,0.08,.,.,.,.,.,.,DFT,mp-11800
MMD-1318,Co2Mo3,2,10,monoclinic,P2_1/m [11],0.198,0.231,MP,0,0,.,.,.,.,.,.,DFT,mp-1182516
MMD-1319,Co3Se,1,4,cubic,Pm-3m [221],0.289,0.425,MP,0.16,0.16,<111>,.,.,.,0,.,DFT,mp-1183684
MMD-1320,CoMo3,4,16,cubic,Fm-3m [225],0.196,0.217,MP,0.51,0.41,a,.,.,.,0,.,DFT,mp-1183707
MMD-1321,Co2S3,6,30,trigonal,R-3c [167],-0.429,0 (stable),MP,0,0,.,.,.,.,.,.,DFT,mp-1183728
MMD-1322,Co3S,2,8,hexagonal,P6_3/mmc [194],0.253,0.51,MP,1.22,1.26,c,0.78,.,.,.,.,DFT,mp-1183733
MMD-1323,CoNi3,1,4,cubic,Pm-3m [221],0.012,0.021,MP,0.93,1,<111>,.,.,.,0,.,DFT,mp-1183751
MMD-1324,Co3Cu,2,8,tetragonal,I4/mmm [139],0.119,0.119,MP,1.28,1.34,c,0.43,.,.,.,.,DFT,mp-1183752
MMD-1325,CoNi3,2,8,hexagonal,P6_3/mmc [194],0.014,0.023,MP,0.95,1.01,c,0.92,.,.,.,.,DFT,mp-1183785
MMD-1326,Co3Ni,2,8,hexagonal,P6_3/mmc [194],-0.025,0 (stable),MP,1.41,1.52,ab plane,0,.,.,.,.,DFT,mp-1183837
MMD-1327,GaCo3,2,8,tetragonal,I4/mmm [139],-0.06,0.058,MP,0.94,0.98,ab plane,-1.98,.,.,.,.,DFT,mp-1184006
MMD-1328,GaCo3,2,8,hexagonal,P6_3/mmc [194],-0.067,0.051,MP,0.99,1.01,ab plane,-0.09,.,.,.,.,DFT,mp-1184009
MMD-1329,Mn3Co,2,8,hexagonal,P6_3/mmc [194],-0.015,0 (stable),MP,0,0,.,.,.,.,.,.,DFT,mp-1185970
MMD-1330,MnCo3,2,8,hexagonal,P6_3/mmc [194],0.075,0.08,MP,0.52,0.59,ab plane,-3.15,.,.,.,.,DFT,mp-1186063
MMD-1331,ZnCo3,2,8,tetragonal,I4/mmm [139],0.053,0.078,MP,1.14,1.16,c,0.21,.,.,.,.,DFT,mp-1187951
MMD-1332,ZnCo,1,2,hexagonal,P-6m2 [187],0.041,0.091,MP,0.7,0.66,ab plane,-0.6,.,.,.,.,DFT,mp-1187978
MMD-1333,Zn3Co,2,8,hexagonal,P6_3/mmc [194],-0.035,0.039,MP,0,0,.,.,.,.,.,.,DFT,mp-1187993
MMD-1334,ZrCo3,2,8,hexagonal,P6_3/mmc [194],-0.15,0.118,MP,0.68,0.6,ab plane,-0.76,.,.,.,.,DFT,mp-1188034
MMD-1335,Y2Co7,6,54,trigonal,R-3m [166],-0.143,0.004,MP,0.98,0.8,.,.,.,.,.,.,DFT,mp-1188333
MMD-1336,Y3Co,4,16,monoclinic,P2_1 [4],-0.136,0.002,MP,0,0,.,.,.,.,.,.,DFT,mp-1189329
MMD-1337,NbCo2,8,24,hexagonal,P6_3/mmc [194],-0.169,0.013,MP,0.21,0.2,ab plane,-0.02,.,.,.,.,DFT,mp-1191009
MMD-1338,Ti2Co,32,96,cubic,Fd-3m [227],-0.286,0 (stable),MP,0,0,.,.,.,.,.,.,DFT,mp-1191331
MMD-1339,TiCo2,8,24,hexagonal,P6_3/mmc [194],-0.317,0 (stable),MP,0.26,0.25,.,.,.,.,.,.,DFT,mp-1191422
MMD-1340,Zr2Co,32,96,cubic,Fd-3m [227],-0.203,0.064,MP,0,0,.,.,.,.,.,.,DFT,mp-1191437
MMD-1341,Zn11Co2,4,52,cubic,I-43m [217],-0.084,0 (stable),MP,0.03,0.02,.,.,.,.,.,.,DFT,mp-1192361
MMD-1342,YCo3,6,24,hexagonal,P6_3/mmc [194],-0.159,0.001,MP,0.88,0.71,.,.,.,.,.,.,DFT,mp-1192425
MMD-1343,Co5B16,2,42,orthorhombic,Pmma [51],-0.169,0.026,MP,0,0,.,.,.,.,.,.,DFT,mp-1194572
MMD-1344,Al13Co4,6,102,orthorhombic,Pmn2_1 [31],-0.382,0.01,MP,0,0,.,.,.,.,.,.,DFT,mp-1198336
MMD-1345,Co3N,2,8,hexagonal,P6_322 [182],0.07,0.07,MP,0.73,0.87,.,.,.,.,.,.,DFT,mp-1205986
MMD-1346,Co4N,1,5,cubic,Pm-3m [221],0.075,0.075,MP,1.26,1.43,<111>,.,.,.,-0.01,.,DFT,mp-1206425
MMD-1347,Zn17Co3,3,60,hexagonal,P6_2 [171],-0.074,0.01,MP,0.05,0.04,.,.,.,.,.,.,DFT,mp-1207538
MMD-1348,Co3P,8,32,tetragonal,I-4 [82],-0.341,0.047,MP,0.72,0.78,ab plane,-0.23,.,.,.,.,DFT,mp-1213762
MMD-1349,Al19Co6,4,100,monoclinic,C2/m [12],-0.386,0.011,MP,0,0,.,.,.,.,.,.,DFT,mp-1215090
MMD-1350,ZnCo2,1,3,trigonal,P-3m1 [164],0.024,0.058,MP,1.02,1,c,1.49,.,.,.,.,DFT,mp-1215431
MMD-1351,Zn53Co7,1,60,monoclinic,P2 [3],-0.077,0 (stable),MP,0,0,.,.,.,.,.,.,DFT,mp-1215897
MMD-1352,Y4Co3,3,21,trigonal,P-3 [147],-0.136,0.037,MP,0.02,0.01,.,.,.,.,.,.,DFT,mp-1216292
MMD-1353,NbCo3,6,24,trigonal,P-3m1 [164],-0.101,0.077,MP,0.54,0.5,.,.,.,.,.,.,DFT,mp-1220660
MMD-1354,GaCo4,3,15,trigonal,R-3m [166],0.059,0.153,MP,1.24,1.24,c,0.55,.,.,.,.,DFT,mp-1224812
MMD-1355,CoPt,3,6,trigonal,R-3m [166],-0.016,0.064,MP,1.09,0.93,c,10.3,.,.,.,.,DFT,mp-1225998
MMD-1356,CoMo,1,2,hexagonal,P-6m2 [187],0.202,0.243,MP,0.23,0.2,c,0.44,.,.,.,.,DFT,mp-1226002
MMD-1357,Co4Ge,3,15,trigonal,R-3m [166],0.146,0.226,MP,1.21,1.2,ab plane,-1.2,.,.,.,.,DFT,mp-1226010
MMD-1358,Co4Ge,1,5,tetragonal,P4/mmm [123],0.77,0.851,MP,1.45,1.22,c,0.02,.,.,.,.,DFT,mp-1226058
MMD-1359,CoNi,2,4,orthorhombic,Cmmm [65],0.105,0.122,MP,1.19,1.28,c,2.81,5.57,2.77,.,.,DFT,mp-1226063
MMD-1360,CoNi,3,6,trigonal,R-3m [166],0.006,0.023,MP,1.17,1.26,c,1.21,.,.,.,.,DFT,mp-1226076
MMD-1361,CoPt3,3,12,trigonal,R-3m [166],-0.044,0.011,MP,0.71,0.56,c,5.23,.,.,.,.,DFT,mp-1226089
MMD-1362,Co7Ge4,1,11,hexagonal,P-6m2 [187],-0.085,0.061,MP,0.34,0.32,c,0.28,.,.,.,.,DFT,mp-1226096
MMD-1363,Co4B,3,15,monoclinic,Pm [6],-0.112,0.051,MP,1.06,1.27,a,-0.91,-0.41,0.51,.,.,DFT,mp-1226103
MMD-1364,Co3Pt,1,4,hexagonal,P-6m2 [187],0.036,0.127,MP,1.37,1.28,c,3.3,.,.,.,.,DFT,mp-1226436
MMD-1365,Co3Ge2,1,5,hexagonal,P-6m2 [187],-0.095,0.066,MP,0.43,0.39,ab plane,-1.13,.,.,.,.,DFT,mp-1226445
MMD-1366,Co3Pt,3,12,trigonal,R-3m [166],0.05,0.141,MP,1.37,1.28,c,1.89,.,.,.,.,DFT,mp-1226450
MMD-1367,Co3Ni,1,4,hexagonal,P-6m2 [187],-0.003,0.022,MP,1.41,1.49,c,0.24,.,.,.,.,DFT,mp-1226559
MMD-1368,AlCo4,3,15,trigonal,R-3m [166],-0.03,0.208,MP,1.19,1.2,c,0.53,.,.,.,.,DFT,mp-1228933
MMD-1369,CoPt2,4,12,cubic,Pa-3 [205],0.535,0.598,MP,0.97,0.69,.,.,.,.,.,.,DFT,mp-1245822
MMD-1370,CoS,2,4,hexagonal,P6_3/mmc [194],-0.281,0.195,MP,0,0,.,.,.,.,.,.,DFT,mp-1274
MMD-1371,YCo2,8,24,cubic,Fd-3m [227],-0.179,0 (stable),MP,0.62,0.47,<111>,.,.,.,-0.01,.,DFT,mp-1294
MMD-1372,Co2P,3,9,hexagonal,P-62m [189],-0.496,0.02,MP,0.36,0.39,c,0.85,.,.,.,.,DFT,mp-13446
MMD-1373,CoP2,4,12,monoclinic,P2_1/c [14],-0.55,0 (stable),MP,0,0,.,.,.,.,.,.,DFT,mp-14285
MMD-1374,Co9S8,4,68,cubic,Fm-3m [225],-0.486,0 (stable),MP,0,0,.,.,.,.,.,.,DFT,mp-1513
MMD-1375,CoAs,2,4,hexagonal,P6_3/mmc [194],-0.234,0.029,MP,0,0,.,.,.,.,.,.,DFT,mp-15679
MMD-1376,Co5As2,6,42,hexagonal,P6_3cm [185],-0.061,0.09,MP,0.64,0.63,c,1.08,.,.,.,.,DFT,mp-16316
MMD-1377,Al9Co2,2,22,monoclinic,P2_1/c [14],-0.326,0 (stable),MP,0,0,.,.,.,.,.,.,DFT,mp-16488
MMD-1378,Co2Ge,2,6,hexagonal,P6_3/mmc [194],-0.072,0.062,MP,0,0,.,.,.,.,.,.,DFT,mp-1667
MMD-1379,Co2As,12,36,hexagonal,P-62m [189],-0.094,0.082,MP,0.29,0.28,.,.,.,.,.,.,DFT,mp-18206
MMD-1380,CoP3,8,32,cubic,Im-3 [204],-0.515,0 (stable),MP,0,0,.,.,.,.,.,.,DFT,mp-1944
MMD-1381,Al5Co2,4,28,hexagonal,P6_3/mmc [194],-0.453,0 (stable),MP,0,0,.,.,.,.,.,.,DFT,mp-196
MMD-1382,Co2Si,4,12,orthorhombic,Pnma [62],-0.451,0 (stable),MP,0.23,0.25,b,-0.12,-0.21,-0.09,.,.,DFT,mp-19905
MMD-1383,Co3B,4,16,orthorhombic,Pnma [62],-0.192,0.012,MP,0.89,1.11,a,-0.92,-0.29,0.62,.,.,DFT,mp-20373
MMD-1384,Co3Se4,8,56,cubic,Fd-3m [227],-0.279,0 (stable),MP,0.08,0.06,.,.,.,.,.,.,DFT,mp-20456
MMD-1385,Ga3Co,4,16,tetragonal,P4_2/mnm [136],-0.243,0 (stable),MP,0,0,.,.,.,.,.,.,DFT,mp-20559
MMD-1386,CoS2,4,12,cubic,Pa-3 [205],-0.368,0 (stable),MP,0.33,0.28,<111>,.,.,.,-0.07,.,DFT,mp-2070
MMD-1387,CoB,4,8,orthorhombic,Pnma [62],-0.409,0 (stable),MP,0,0,.,.,.,.,.,.,DFT,mp-20857
MMD-1388,CoSe2,2,6,orthorhombic,Pnnm [58],-0.294,0 (stable),MP,0.19,0.13,a,-0.01,0.11,0.12,.,.,DFT,mp-20862
MMD-1389,Co3C,4,16,orthorhombic,Pnma [62],0.087,0.087,MP,0.78,0.99,b,0.18,-0.62,-0.81,.,.,DFT,mp-20925
MMD-1390,CoGe,8,16,monoclinic,C2/m [12],-0.201,0 (stable),MP,0,0,.,.,.,.,.,.,DFT,mp-21237
MMD-1391,ScCo,1,2,cubic,Pm-3m [221],-0.347,0 (stable),MP,0.01,0,.,.,.,.,.,.,DFT,mp-2212
MMD-1392,Co2P,4,12,orthorhombic,Pnma [62],-0.517,0 (stable),MP,0.12,0.14,c,0.06,0.12,0.06,.,.,DFT,mp-22204
MMD-1393,Co2As,1,3,hexagonal,P-6m2 [187],0.095,0.27,MP,0.55,0.52,c,0.46,.,.,.,.,DFT,mp-22210
MMD-1394,CoP,4,8,orthorhombic,Pnma [62],-0.588,0 (stable),MP,0,0,.,.,.,.,.,.,DFT,mp-22270
MMD-1395,CoSe2,4,12,cubic,Pa-3 [205],-0.277,0.017,MP,0.26,0.18,<111>,.,.,.,-0.45,.,DFT,mp-22309
MMD-1396,Co2C,2,6,orthorhombic,Pnnm [58],0.049,0.049,MP,0.03,0.04,c,0.15,0.04,-0.12,.,.,DFT,mp-22488
MMD-1397,Co2N,2,6,orthorhombic,Pnnm [58],0.065,0.065,MP,0,0,.,.,.,.,.,.,DFT,mp-22631
MMD-1398,Co5Ge7,2,24,tetragonal,I4mm [107],0.406,0.577,MP,0.24,0.18,c,0.29,.,.,.,.,DFT,mp-22732
MMD-1399,Co9Se8,4,68,cubic,Fm-3m [225],-0.257,0 (stable),MP,0,0,.,.,.,.,.,.,DFT,mp-22745
MMD-1400,CoSi,1,2,cubic,Pm-3m [221],-0.408,0.202,MP,0.32,0.34,<111>,.,.,.,-0.01,.,DFT,mp-22746
MMD-1401,CoN7,4,32,cubic,Im-3 [204],0.607,0.607,MP,0,0,.,.,.,.,.,.,DFT,mp-22762
MMD-1402,ZrCo,1,2,cubic,Pm-3m [221],-0.301,0 (stable),MP,0.46,0.33,a,.,.,.,0,.,DFT,mp-2283
MMD-1403,CoSi2,4,12,cubic,Fm-3m [225],-0.473,0 (stable),MP,0,0,.,.,.,.,.,.,DFT,mp-2379
MMD-1404,ScCo2,8,24,cubic,Fd-3m [227],-0.352,0 (stable),MP,0.59,0.51,<111>,.,.,.,0,.,DFT,mp-253
MMD-1405,YCo3,9,36,trigonal,R-3m [166],-0.16,0 (stable),MP,0.9,0.71,c,1.39,.,.,.,.,DFT,mp-2588
MMD-1406,CoAs2,4,12,monoclinic,P2_1/c [14],-0.307,0 (stable),MP,0,0,.,.,.,.,.,.,DFT,mp-2715
MMD-1407,Sc3Co,8,32,orthorhombic,Pnma [62],-0.213,0 (stable),MP,0,0,.,.,.,.,.,.,DFT,mp-27162
MMD-1408,YCo5,1,6,hexagonal,P6/mmm [191],-0.107,0.015,MP,1.2,1.01,c,2.73,.,.,.,.,DFT,mp-2827
MMD-1409,AlCo,1,2,cubic,Pm-3m [221],-0.594,0 (stable),MP,0,0,.,.,.,.,.,.,DFT,mp-284
MMD-1410,CoGe2,8,24,orthorhombic,Cmce [64],-0.14,0 (stable),MP,0,0,.,.,.,.,.,.,DFT,mp-30045
MMD-1411,Sc2Co,4,12,tetragonal,I4/mcm [140],-0.249,0.009,MP,0,0,.,.,.,.,.,.,DFT,mp-30562
MMD-1412,Ti2Co,8,24,cubic,Fd-3m [227],0.443,0.73,MP,0.37,0.29,.,.,.,.,.,.,DFT,mp-30566
MMD-1413,Zn13Co,2,28,monoclinic,C2/m [12],-0.054,0 (stable),MP,0,0,.,.,.,.,.,.,DFT,mp-30568
MMD-1414,Zr6Co23,4,116,cubic,Fm-3m [225],-0.237,0 (stable),MP,0.93,0.83,.,.,.,.,.,.,DFT,mp-30569
MMD-1415,Zr3Co,4,16,orthorhombic,Cmcm [63],-0.219,0 (stable),MP,0,0,.,.,.,.,.,.,DFT,mp-30619
MMD-1416,Al13Co4,6,102,orthorhombic,Pnnm [58],-0.383,0.009,MP,0,0,.,.,.,.,.,.,DFT,mp-30751
MMD-1417,CoSe,2,4,hexagonal,P6_3/mmc [194],-0.122,0.141,MP,0,0,.,.,.,.,.,.,DFT,mp-426
MMD-1418,CoN,4,8,cubic,F-43m [216],0.086,0.086,MP,0,0,.,.,.,.,.,.,DFT,mp-448
MMD-1419,CoAs3,8,32,cubic,Im-3 [204],-0.292,0 (stable),MP,0,0,.,.,.,.,.,.,DFT,mp-452
MMD-1420,Co2B,4,12,tetragonal,I4/mcm [140],-0.258,0.015,MP,0.69,0.93,ab plane,-1.06,.,.,.,.,DFT,mp-493
MMD-1421,Co7Mo6,3,39,trigonal,R-3m [166],-0.039,0.006,MP,0.16,0.14,ab plane,-0.6,.,.,.,.,DFT,mp-567747
MMD-1422,NbCo3,6,24,hexagonal,P6_3mc [186],-0.114,0.064,MP,0.6,0.57,ab plane,-0.14,.,.,.,.,DFT,mp-570557
MMD-1423,Y2Co17,2,38,hexagonal,P6_3/mmc [194],-0.094,0 (stable),MP,1.36,1.24,c,0.12,.,.,.,.,DFT,mp-570718
MMD-1424,Y8Co5,4,52,monoclinic,P2_1/c [14],-0.161,0 (stable),MP,0,0,.,.,.,.,.,.,DFT,mp-573425
MMD-1425,CoAs,4,8,orthorhombic,Pnma [62],-0.263,0 (stable),MP,0.07,0.06,b,-0.08,-0.14,-0.06,.,.,DFT,mp-583
MMD-1426,CoSe,2,4,tetragonal,P4/nmm [129],-0.261,0.003,MP,0.17,0.1,ab plane,-2.46,.,.,.,.,DFT,mp-604908
MMD-1427,TiCo3,1,4,cubic,Pm-3m [221],-0.256,0 (stable),MP,0.67,0.67,<111>,.,.,.,0,.,DFT,mp-608
MMD-1428,Y3Co2,4,20,orthorhombic,Pnnm [58],-0.154,0.011,MP,0.01,0,.,.,.,.,.,.,DFT,mp-616512
MMD-1429,Zr2Co,4,12,tetragonal,I4/mcm [140],-0.267,0 (stable),MP,0,0,.,.,.,.,.,.,DFT,mp-628
MMD-1430,Co23B6,4,116,cubic,Fm-3m [225],-0.157,0.012,MP,1,1.19,.,.,.,.,.,.,DFT,mp-639154
MMD-1431,NbCo2,8,24,cubic,Fd-3m [227],-0.168,0.013,MP,0.17,0.15,.,.,.,.,.,.,DFT,mp-670
MMD-1432,Co2S3,16,80,tetragonal,I4_1/amd [141],-0.409,0.02,MP,0,0,.,.,.,.,.,.,DFT,mp-684732
MMD-1433,Co27Se32,1,59,triclinic,P-1 [2],-0.215,0.058,MP,0.13,0.1,.,.,.,.,.,.,DFT,mp-684829
MMD-1434,Co17Se20,2,74,triclinic,P-1 [2],-0.213,0.06,MP,0.12,0.09,.,.,.,.,.,.,DFT,mp-685129
MMD-1435,TiCo2,8,24,cubic,Fd-3m [227],-0.314,0.003,MP,0.27,0.26,.,.,.,.,.,.,DFT,mp-695
MMD-1436,Nb6Co7,3,39,trigonal,R-3m [166],-0.186,0 (stable),MP,0.13,0.11,.,.,.,.,.,.,DFT,mp-7250
MMD-1437,CoSi,4,8,cubic,P2_13 [198],-0.61,0 (stable),MP,0,0,.,.,.,.,.,.,DFT,mp-7577
MMD-1438,YCo,4,8,orthorhombic,Cmcm [63],-0.184,0.01,MP,0.17,0.1,b,0.19,-0.02,-0.2,.,.,DFT,mp-8053
MMD-1439,TiCo,1,2,cubic,Pm-3m [221],-0.394,0 (stable),MP,0.43,0.38,<111>,.,.,.,0,.,DFT,mp-823
MMD-1440,CoS2,4,12,orthorhombic,Pbca [61],-0.366,0.002,MP,0.33,0.28,b,-0.02,-0.03,-0.01,.,.,DFT,mp-850049
MMD-1441,Co3Pt,2,8,hexagonal,P6_3/mmc [194],-0.091,0 (stable),MP,1.42,1.35,ab plane,-2.03,.,.,.,.,DFT,mp-865193
MMD-1442,YCo,6,12,trigonal,R-3m [166],-0.194,0 (stable),MP,0.1,0.05,.,.,.,.,.,.,DFT,mp-865373
MMD-1443,CoPt3,1,4,cubic,Pm-3m [221],-0.054,0 (stable),MP,0.75,0.59,a,.,.,.,0.08,.,DFT,mp-922
MMD-1444,ZrCo2,8,24,cubic,Fd-3m [227],-0.328,0 (stable),MP,0.14,0.12,.,.,.,.,.,.,DFT,mp-929
MMD-1445,Co3S4,8,56,cubic,Fd-3m [227],-0.453,0 (stable),MP,0,0,.,.,.,.,.,.,DFT,mp-943
MMD-1446,CoPt,1,2,tetragonal,P4/mmm [123],-0.08,0 (stable),MP,1.15,0.98,c,4.34,.,.,.,.,DFT,mp-949
MMD-1447,ZnCo3,4,16,cubic,Fm-3m [225],0.059,0.084,MP,1.14,1.15,<111>,.,.,.,0,.,DFT,mp-971744
MMD-1448,Zn3Co,2,8,tetragonal,I4/mmm [139],-0.027,0.048,MP,0.22,0.2,ab plane,-1.72,.,.,.,.,DFT,mp-971948
MMD-1449,NbCo3,2,8,hexagonal,P6_3/mmc [194],-0.178,0 (stable),MP,0,0,.,.,.,.,.,.,DFT,mp-977426
MMD-1450,Zn3Co,1,4,cubic,Pm-3m [221],-0.038,0.037,MP,0.09,0.08,a,.,.,.,0,.,DFT,mp-981215
MMD-1451,MnCo3,1,4,cubic,Pm-3m [221],0.035,0.04,MP,0.04,0.04,.,.,.,.,.,.,DFT,mp-999543
MMD-1452,CoS2,3,9,trigonal,R-3m [166],-0.262,0.105,MP,0.06,0.03,.,.,.,.,.,.,DFT,mvc-11233
MMD-1453,CoS2,16,48,cubic,Fd-3m [227],-0.282,0.086,MP,0,0,.,.,.,.,.,.,DFT,mvc-11244
MMD-1454,CoSe2,16,48,cubic,Fd-3m [227],-0.264,0.03,MP,0,0,.,.,.,.,.,.,DFT,mvc-11438
MMD-1455,NiN,1,2,cubic,Pm-3m [221],1.135,1.101,MP,0,0,.,.,.,.,.,.,DFT,mp-1009483
MMD-1456,NiN,4,8,cubic,Fm-3m [225],0.632,0.598,MP,0,0,.,.,.,.,.,.,DFT,mp-1009488
MMD-1457,YNi2,8,24,cubic,Fd-3m [227],-0.425,0.004,MP,0,0,.,.,.,.,.,.,DFT,mp-1019
MMD-1458,AlNi2,2,6,trigonal,P-3m1 [164],-0.493,0.027,MP,0,0,.,.,.,.,.,.,DFT,mp-1025044
MMD-1459,TiNi,2,4,monoclinic,P2_1/m [11],-0.405,0.001,MP,0,0,.,.,.,.,.,.,DFT,mp-1048
MMD-1460,Ni3S4,8,56,cubic,Fd-3m [227],-0.384,0 (stable),MP,0,0,.,.,.,.,.,.,DFT,mp-1050
MMD-1461,Al3Ni2,1,5,trigonal,P-3m1 [164],-0.614,0 (stable),MP,0,0,.,.,.,.,.,.,DFT,mp-1057
MMD-1462,TiNi,4,8,orthorhombic,Cmcm [63],-0.405,0 (stable),MP,0,0,.,.,.,.,.,.,DFT,mp-1067248
MMD-1463,TiNi,2,4,tetragonal,P4/nmm [129],-0.33,0.075,MP,0,0,.,.,.,.,.,.,DFT,mp-1067475
MMD-1464,NiSe2,2,6,orthorhombic,Pnnm [58],-0.239,0 (stable),MP,0,0,.,.,.,.,.,.,DFT,mp-1071078
MMD-1465,NbNi2,8,24,cubic,Fd-3m [227],-0.198,0.084,MP,0.24,0.22,<111>,.,.,.,0,.,DFT,mp-1077429
MMD-1466,Ni4N3,1,7,cubic,Pm-3m [221],0.423,0.384,MP,0,0,.,.,.,.,.,.,DFT,mp-1094084
MMD-1467,NiS2,2,6,tetragonal,I4/mmm [139],0.323,0.621,MP,0,0,.,.,.,.,.,.,DFT,mp-1094089
MMD-1468,Ni4N,1,5,cubic,Pm-3m [221],0.108,0.067,MP,0.31,0.35,<111>,.,.,.,-0.01,.,DFT,mp-1094090
MMD-1469,SiNi,4,8,cubic,P2_13 [198],-0.4,0.093,MP,0,0,.,.,.,.,.,.,DFT,mp-1095177
MMD-1470,Ga5Ni,4,24,tetragonal,I4/mcm [140],-0.167,0.006,MP,0,0,.,.,.,.,.,.,DFT,mp-1095578
MMD-1471,NiGe,4,8,orthorhombic,Pnma [62],-0.298,0 (stable),MP,0,0,.,.,.,.,.,.,DFT,mp-1099
MMD-1472,Ni3Pt,2,8,tetragonal,I4/mmm [139],-0.065,0.002,MP,0.61,0.59,c,0.24,.,.,.,.,DFT,mp-1100766
MMD-1473,Ni11As8,4,76,monoclinic,C2/c [15],-0.282,0 (stable),MP,0,0,.,.,.,.,.,.,DFT,mp-1100786
MMD-1474,NiP,12,24,orthorhombic,Cmc2_1 [36],-0.416,0.038,MP,0,0,.,.,.,.,.,.,DFT,mp-1102036
MMD-1475,NiS2,4,12,orthorhombic,Pnma [62],-0.205,0.094,MP,0,0,.,.,.,.,.,.,DFT,mp-1103643
MMD-1476,NiB12,4,52,cubic,Fm-3m [225],0.259,0.297,MP,0.13,0.19,a,.,.,.,0.13,.,DFT,mp-1104127
MMD-1477,Nb6Ni7,3,39,trigonal,R-3m [166],-0.23,0.008,MP,0,0,.,.,.,.,.,.,DFT,mp-1105044
MMD-1478,Y3Ni,4,16,orthorhombic,Pnma [62],-0.243,0 (stable),MP,0,0,.,.,.,.,.,.,DFT,mp-1105633
MMD-1479,SiNi2,4,12,orthorhombic,Pnma [62],-0.544,0 (stable),MP,0,0,.,.,.,.,.,.,DFT,mp-1118
MMD-1480,Ni3Se4,8,56,cubic,Fd-3m [227],-0.304,0 (stable),MP,0,0,.,.,.,.,.,.,DFT,mp-1120781
MMD-1481,Ga3Ni2,1,5,trigonal,P-3m1 [164],-0.389,0 (stable),MP,0,0,.,.,.,.,.,.,DFT,mp-11397
MMD-1482,Ga3Ni5,2,16,orthorhombic,Cmmm [65],-0.351,0 (stable),MP,0,0,.,.,.,.,.,.,DFT,mp-11398
MMD-1483,MnNi,1,2,cubic,Pm-3m [221],0.464,0.535,MP,0.01,0,.,.,.,.,.,.,DFT,mp-11500
MMD-1484,MnNi3,1,4,cubic,Pm-3m [221],-0.106,0 (stable),MP,1.21,1.24,a,.,.,.,0,.,DFT,mp-11501
MMD-1485,Ni3Mo,2,8,orthorhombic,Pmmn [59],-0.102,0 (stable),MP,0,0,.,.,.,.,.,.,DFT,mp-11506
MMD-1486,Ni4Mo,2,10,tetragonal,I4/m [87],-0.089,0 (stable),MP,0,0,.,.,.,.,.,.,DFT,mp-11507
MMD-1487,NbNi3,2,8,tetragonal,I4/mmm [139],-0.303,0.008,MP,0,0,.,.,.,.,.,.,DFT,mp-11513
MMD-1488,ScNi,1,2,cubic,Pm-3m [221],-0.507,0 (stable),MP,0,0,.,.,.,.,.,.,DFT,mp-11521
MMD-1489,Zn11Ni2,4,52,cubic,I-43m [217],-0.152,0 (stable),MP,0,0,.,.,.,.,.,.,DFT,mp-11532
MMD-1490,NiS2,2,6,monoclinic,P2_1/c [14],-0.257,0.041,MP,0,0,.,.,.,.,.,.,DFT,mp-1180046
MMD-1491,AlNi3,2,8,hexagonal,P6_3/mmc [194],-0.42,0.012,MP,0.13,0.14,ab plane,-0.04,.,.,.,.,DFT,mp-1183232
MMD-1492,GaNi3,2,8,tetragonal,I4/mmm [139],-0.256,0.018,MP,0,0,.,.,.,.,.,.,DFT,mp-1184034
MMD-1493,CuNi3,2,8,tetragonal,I4/mmm [139],0.036,0.036,MP,0.4,0.42,ab plane,-0.49,.,.,.,.,DFT,mp-1184054
MMD-1494,GaNi3,2,8,hexagonal,P6_3/mmc [194],-0.268,0.006,MP,0.14,0.14,ab plane,-0.04,.,.,.,.,DFT,mp-1184058
MMD-1495,CuNi,1,2,hexagonal,P-6m2 [187],0.033,0.033,MP,0,0,.,.,.,.,.,.,DFT,mp-1184069
MMD-1496,NiPt3,1,4,cubic,Pm-3m [221],-0.059,0 (stable),MP,0.29,0.24,<111>,.,.,.,-0.01,.,DFT,mp-1186117
MMD-1497,NiGe3,1,4,cubic,Pm-3m [221],0.284,0.433,MP,0,0,.,.,.,.,.,.,DFT,mp-1186341
MMD-1498,Ni3Se,2,8,hexagonal,P6_3/mmc [194],0.129,0.285,MP,0.22,0.21,c,0.28,.,.,.,.,DFT,mp-1186370
MMD-1499,ScNi3,1,4,cubic,Pm-3m [221],-0.401,0.021,MP,0.12,0.11,a,.,.,.,0,.,DFT,mp-1186985
MMD-1500,ScNi3,2,8,hexagonal,P6_3/mmc [194],-0.387,0.034,MP,0.1,0.09,ab plane,-0.02,.,.,.,.,DFT,mp-1186988
MMD-1501,Ti3Ni,2,8,hexagonal,P6_3/mmc [194],-0.084,0.133,MP,0,0,.,.,.,.,.,.,DFT,mp-1187671
MMD-1502,Zn3Ni,2,8,hexagonal,P6_3/mmc [194],-0.161,0.018,MP,0,0,.,.,.,.,.,.,DFT,mp-1187948
MMD-1503,Zr2Ni7,4,36,monoclinic,C2/m [12],-0.435,0.003,MP,0,0,.,.,.,.,.,.,DFT,mp-1188069
MMD-1504,Zr3Ni,2,8,hexagonal,P6_3/mmc [194],0.014,0.266,MP,0,0,.,.,.,.,.,.,DFT,mp-1188073
MMD-1505,TiNi,16,32,tetragonal,I4/mmm [139],-0.369,0.036,MP,0.1,0.08,.,.,.,.,.,.,DFT,mp-1190013
MMD-1506,NbNi2,8,24,hexagonal,P6_3/mmc [194],-0.204,0.079,MP,0,0,.,.,.,.,.,.,DFT,mp-1191285
MMD-1507,Zr6Ni23,4,116,cubic,Fm-3m [225],-0.364,0.044,MP,0.01,0.01,.,.,.,.,.,.,DFT,mp-1194271
MMD-1508,NiP,28,56,orthorhombic,Cmc2_1 [36],-0.432,0.022,MP,0,0,.,.,.,.,.,.,DFT,mp-1194315
MMD-1509,Y2Ni17,2,38,hexagonal,P6_3/mmc [194],-0.192,0.011,MP,0.37,0.35,c,0.27,.,.,.,.,DFT,mp-1196175
MMD-1510,Sc2Ni7,4,36,hexagonal,P6_3/mmc [194],-0.387,0 (stable),MP,0.11,0.1,c,0.03,.,.,.,.,DFT,mp-1197416
MMD-1511,NiP,20,40,orthorhombic,Pnma [62],-0.428,0.026,MP,0,0,.,.,.,.,.,.,DFT,mp-1199085
MMD-1512,Ni5Ge2,6,42,hexagonal,P6_3cm [185],-0.265,0.019,MP,0,0,.,.,.,.,.,.,DFT,mp-1200317
MMD-1513,Y15Ni32,4,188,cubic,F-43m [216],-0.429,0 (stable),MP,0,0,.,.,.,.,.,.,DFT,mp-1200338
MMD-1514,Y2Ni7,4,36,hexagonal,P6_3/mmc [194],-0.378,0.001,MP,0.13,0.11,c,0.03,.,.,.,.,DFT,mp-1201276
MMD-1515,Zn22Ni3,2,50,monoclinic,C2/m [12],-0.124,0 (stable),MP,0,0,.,.,.,.,.,.,DFT,mp-1207504
MMD-1516,Y4Ni,8,40,cubic,Fd-3m [227],0.242,0.436,MP,0.08,0.03,.,.,.,.,.,.,DFT,mp-1207883
MMD-1517,Si9Ni25,1,34,trigonal,P-3 [147],-0.459,0.011,MP,0,0,.,.,.,.,.,.,DFT,mp-1209041
MMD-1518,ZnNi4,3,15,trigonal,R-3m [166],-0.033,0.066,MP,0.36,0.38,ab plane,-0.55,.,.,.,.,DFT,mp-1215582
MMD-1519,TiNi,3,6,hexagonal,P6mm [183],-0.101,0.304,MP,0,0,.,.,.,.,.,.,DFT,mp-1216890
MMD-1520,SiNi3,3,12,trigonal,R-3m [166],-0.16,0.295,MP,0.09,0.09,ab plane,-0.21,.,.,.,.,DFT,mp-1219285
MMD-1521,Ni7Ge4,1,11,hexagonal,P-6m2 [187],-0.251,0.046,MP,0,0,.,.,.,.,.,.,DFT,mp-1219818
MMD-1522,NiPt,3,6,trigonal,R-3m [166],-0.044,0.047,MP,0.51,0.44,c,3.01,.,.,.,.,DFT,mp-1220052
MMD-1523,Ni4Ge,3,15,trigonal,R-3m [166],0.083,0.305,MP,0.32,0.32,ab plane,-0.02,.,.,.,.,DFT,mp-1220076
MMD-1524,Ni3S2,3,15,trigonal,R3m [160],-0.188,0.174,MP,0,0,.,.,.,.,.,.,DFT,mp-1220109
MMD-1525,NbNi,39,78,trigonal,R-3m [166],-0.225,0 (stable),MP,0.01,0.01,.,.,.,.,.,.,DFT,mp-1220799
MMD-1526,MnNi,3,6,trigonal,R-3m [166],0.109,0.18,MP,0.5,0.54,ab plane,-0.34,.,.,.,.,DFT,mp-1221588
MMD-1527,MnNi,2,4,orthorhombic,Cmmm [65],0.064,0.134,MP,2.06,1.97,a,-0.62,-0.57,0.05,.,.,DFT,mp-1221603
MMD-1528,GaNi2,1,3,trigonal,P-3m1 [164],-0.085,0.24,MP,0,0,.,.,.,.,.,.,DFT,mp-1224858
MMD-1529,Ga21Ni5,4,104,orthorhombic,Fmm2 [42],0.003,0.202,MP,0,0,.,.,.,.,.,.,DFT,mp-1225030
MMD-1530,CuNi,3,6,trigonal,R-3m [166],0.02,0.02,MP,0,0,.,.,.,.,.,.,DFT,mp-1225687
MMD-1531,CuNi3,2,8,orthorhombic,Cmmm [65],0.096,0.096,MP,0.36,0.38,b,-0.16,-1.03,-0.87,.,.,DFT,mp-1225694
MMD-1532,CuNi,2,4,orthorhombic,Cmmm [65],0.071,0.071,MP,0.01,0.01,.,.,.,.,.,.,DFT,mp-1225695
MMD-1533,Cu3Ni,2,8,orthorhombic,Cmmm [65],0.055,0.055,MP,0,0,.,.,.,.,.,.,DFT,mp-1225698
MMD-1534,Al4Ni15,1,19,tetragonal,P4/mmm [123],-0.274,0.09,MP,0.26,0.26,c,0.01,.,.,.,.,DFT,mp-1228713
MMD-1535,AlNi,2,4,monoclinic,C2/m [12],-0.41,0.245,MP,0,0,.,.,.,.,.,.,DFT,mp-1228854
MMD-1536,Al2Ni3,2,10,tetragonal,P4/mmm [123],-0.507,0.075,MP,0.01,0.01,.,.,.,.,.,.,DFT,mp-1229048
MMD-1537,Ni3Pt,1,4,cubic,Pm-3m [221],-0.068,0 (stable),MP,0.62,0.59,<111>,.,.,.,0,.,DFT,mp-12798
MMD-1538,NiN,4,8,cubic,F-43m [216],0.44,0.405,MP,0,0,.,.,.,.,.,.,DFT,mp-13116
MMD-1539,YNi,4,8,orthorhombic,Pnma [62],-0.438,0 (stable),MP,0,0,.,.,.,.,.,.,DFT,mp-1364
MMD-1540,NiB,4,8,orthorhombic,Cmcm [63],-0.244,0.003,MP,0,0,.,.,.,.,.,.,DFT,mp-14019
MMD-1541,TiNi3,4,16,hexagonal,P6_3/mmc [194],-0.482,0 (stable),MP,0,0,.,.,.,.,.,.,DFT,mp-1409
MMD-1542,Ni5Ge3,4,32,monoclinic,C2/c [15],-0.299,0 (stable),MP,0,0,.,.,.,.,.,.,DFT,mp-1428
MMD-1543,NbNi3,2,8,orthorhombic,Pmmn [59],-0.311,0 (stable),MP,0,0,.,.,.,.,.,.,DFT,mp-1451
MMD-1544,ZnNi,1,2,cubic,Pm-3m [221],-0.234,0.014,MP,0,0,.,.,.,.,.,.,DFT,mp-1486
MMD-1545,AlNi,1,2,cubic,Pm-3m [221],-0.655,0 (stable),MP,0,0,.,.,.,.,.,.,DFT,mp-1487
MMD-1546,NiS,9,18,trigonal,R3m [160],-0.363,0.016,MP,0,0,.,.,.,.,.,.,DFT,mp-1547
MMD-1547,NiSe,9,18,trigonal,R3m [160],-0.278,0 (stable),MP,0,0,.,.,.,.,.,.,DFT,mp-15651
MMD-1548,Ni2Ge,2,6,hexagonal,P6_3/mmc [194],-0.26,0.032,MP,0,0,.,.,.,.,.,.,DFT,mp-1594
MMD-1549,Al3Ni5,2,16,orthorhombic,Cmmm [65],-0.563,0 (stable),MP,0,0,.,.,.,.,.,.,DFT,mp-16514
MMD-1550,Al4Ni3,16,112,cubic,Ia-3d [230],-0.629,0 (stable),MP,0,0,.,.,.,.,.,.,DFT,mp-16515
MMD-1551,Ga7Ni3,4,40,cubic,Im-3m [229],-0.311,0 (stable),MP,0,0,.,.,.,.,.,.,DFT,mp-16852
MMD-1552,Ni2Ge,4,12,orthorhombic,Pnma [62],-0.288,0.004,MP,0,0,.,.,.,.,.,.,DFT,mp-17383
MMD-1553,MnNi,1,2,tetragonal,P4/mmm [123],0.455,0.526,MP,0,0,.,.,.,.,.,.,DFT,mp-1797
MMD-1554,Ti2Ni,32,96,cubic,Fd-3m [227],-0.289,0 (stable),MP,0,0,.,.,.,.,.,.,DFT,mp-1808
MMD-1555,Ni5P4,4,36,hexagonal,P6_3mc [186],-0.476,0 (stable),MP,0,0,.,.,.,.,.,.,DFT,mp-1920
MMD-1556,GaNi,1,2,cubic,Pm-3m [221],-0.335,0.043,MP,0,0,.,.,.,.,.,.,DFT,mp-1941
MMD-1557,NiAs2,2,6,orthorhombic,Pnnm [58],-0.247,0 (stable),MP,0,0,.,.,.,.,.,.,DFT,mp-19814
MMD-1558,Ni3N,2,8,hexagonal,P6_322 [182],0.052,0 (stable),MP,0,0,.,.,.,.,.,.,DFT,mp-2033
MMD-1559,Ni3Se2,3,15,trigonal,R32 [155],-0.251,0 (stable),MP,0,0,.,.,.,.,.,.,DFT,mp-2056
MMD-1560,Ni3B,4,16,orthorhombic,Pnma [62],-0.259,0 (stable),MP,0,0,.,.,.,.,.,.,DFT,mp-2058
MMD-1561,Ni4N,1,5,cubic,Pm-3m [221],2.073,2.032,MP,1.01,0.77,a,.,.,.,0.01,.,DFT,mp-20839
MMD-1562,NiSe2,4,12,cubic,Pa-3 [205],-0.231,0.008,MP,0,0,.,.,.,.,.,.,DFT,mp-20901
MMD-1563,Ni23B6,4,116,cubic,Fm-3m [225],-0.189,0.025,MP,0.09,0.1,.,.,.,.,.,.,DFT,mp-20962
MMD-1564,Ni3Ge,1,4,cubic,Pm-3m [221],-0.278,0 (stable),MP,0,0,.,.,.,.,.,.,DFT,mp-21008
MMD-1565,Ni2P,3,9,hexagonal,P-62m [189],-0.469,0,MP,0,0,.,.,.,.,.,.,DFT,mp-21167
MMD-1566,YNi5,1,6,hexagonal,P6/mmm [191],-0.322,0 (stable),MP,0.25,0.21,c,0.24,.,.,.,.,DFT,mp-2152
MMD-1567,Ga9Ni13,2,44,monoclinic,C2/m [12],-0.368,0 (stable),MP,0,0,.,.,.,.,.,.,DFT,mp-21589
MMD-1568,NiAs2,4,12,cubic,Pa-3 [205],-0.234,0.013,MP,0,0,.,.,.,.,.,.,DFT,mp-21873
MMD-1569,ZrNi2,8,24,cubic,Fd-3m [227],-0.429,0.045,MP,0,0,.,.,.,.,.,.,DFT,mp-2250
MMD-1570,NiP2,4,12,cubic,Pa-3 [205],-0.388,0 (stable),MP,0,0,.,.,.,.,.,.,DFT,mp-22619
MMD-1571,NiS2,4,12,cubic,Pa-3 [205],-0.245,0.053,MP,0,0,.,.,.,.,.,.,DFT,mp-2282
MMD-1572,Si2Ni,4,12,cubic,Fm-3m [225],-0.36,0 (stable),MP,0,0,.,.,.,.,.,.,DFT,mp-2291
MMD-1573,Ni3P,8,32,tetragonal,I-4 [82],-0.432,0 (stable),MP,0,0,.,.,.,.,.,.,DFT,mp-2296
MMD-1574,NiP3,8,32,cubic,Im-3 [204],-0.312,0 (stable),MP,0,0,.,.,.,.,.,.,DFT,mp-2301
MMD-1575,NiAs,2,4,hexagonal,P6_3/mmc [194],0.08,0.35,MP,0,0,.,.,.,.,.,.,DFT,mp-2347
MMD-1576,ZrNi5,4,24,cubic,F-43m [216],-0.328,0.001,MP,0.07,0.07,.,.,.,.,.,.,DFT,mp-2439
MMD-1577,Ni2B,4,12,tetragonal,I4/mcm [140],-0.29,0 (stable),MP,0,0,.,.,.,.,.,.,DFT,mp-2536
MMD-1578,AlNi3,1,4,cubic,Pm-3m [221],-0.432,0 (stable),MP,0.18,0.19,a,.,.,.,0,.,DFT,mp-2593
MMD-1579,TiNi,9,18,trigonal,P-3 [147],-0.378,0.027,MP,0.03,0.03,.,.,.,.,.,.,DFT,mp-2716
MMD-1580,Zr2Ni7,2,18,monoclinic,C2/m [12],-0.438,0 (stable),MP,0,0,.,.,.,.,.,.,DFT,mp-2717
MMD-1581,Si12Ni31,1,43,trigonal,P321 [150],-0.484,0 (stable),MP,0,0,.,.,.,.,.,.,DFT,mp-27276
MMD-1582,NiP,8,16,orthorhombic,Pbca [61],-0.437,0.017,MP,0,0,.,.,.,.,.,.,DFT,mp-27844
MMD-1583,Ni12P5,2,34,tetragonal,I4/m [87],-0.468,0 (stable),MP,0,0,.,.,.,.,.,.,DFT,mp-2790
MMD-1584,Ni17S18,3,105,trigonal,R-3m [166],-0.286,0.094,MP,0,0,.,.,.,.,.,.,DFT,mp-28105
MMD-1585,Ni11As8,4,76,tetragonal,P4_12_12 [92],-0.281,0 (stable),MP,0,0,.,.,.,.,.,.,DFT,mp-28227
MMD-1586,Si2Ni3,16,80,orthorhombic,Cmcm [63],-0.52,0.003,MP,0,0,.,.,.,.,.,.,DFT,mp-29667
MMD-1587,NiGe2,8,24,orthorhombic,Cmce [64],-0.16,0.039,MP,0,0,.,.,.,.,.,.,DFT,mp-29900
MMD-1588,Ni19Ge12,2,62,monoclinic,C2 [5],-0.298,0.001,MP,0,0,.,.,.,.,.,.,DFT,mp-30082
MMD-1589,Zr8Ni21,1,29,triclinic,P-1 [2],-0.45,0.023,MP,0,0,.,.,.,.,.,.,DFT,mp-30260
MMD-1590,Ga4Ni3,16,112,cubic,Ia-3d [230],-0.373,0.013,MP,0,0,.,.,.,.,.,.,DFT,mp-30655
MMD-1591,Zr9Ni11,2,40,tetragonal,I4/m [87],-0.4,0.076,MP,0,0,.,.,.,.,.,.,DFT,mp-30814
MMD-1592,Zr2Ni,4,12,tetragonal,I4/mcm [140],-0.336,0 (stable),MP,0,0,.,.,.,.,.,.,DFT,mp-328
MMD-1593,SiNi,4,8,orthorhombic,Pnma [62],-0.493,0 (stable),MP,0,0,.,.,.,.,.,.,DFT,mp-351
MMD-1594,Ni3S2,3,15,trigonal,R32 [155],-0.362,0 (stable),MP,0,0,.,.,.,.,.,.,DFT,mp-362
MMD-1595,ZnNi,1,2,tetragonal,P4/mmm [123],-0.249,0 (stable),MP,0,0,.,.,.,.,.,.,DFT,mp-429
MMD-1596,ZrNi3,2,8,hexagonal,P6_3/mmc [194],-0.473,0 (stable),MP,0,0,.,.,.,.,.,.,DFT,mp-485
MMD-1597,NiP2,4,12,monoclinic,C2/c [15],-0.364,0.024,MP,0,0,.,.,.,.,.,.,DFT,mp-486
MMD-1598,NiAs2,8,24,orthorhombic,Pbca [61],-0.247,0 (stable),MP,0,0,.,.,.,.,.,.,DFT,mp-505510
MMD-1599,SiNi2,2,6,hexagonal,P6_3/mmc [194],-0.495,0.048,MP,0,0,.,.,.,.,.,.,DFT,mp-507
MMD-1600,ZrNi,4,8,orthorhombic,Cmcm [63],-0.477,0 (stable),MP,0,0,.,.,.,.,.,.,DFT,mp-556
MMD-1601,Ti3Ni4,6,42,trigonal,R-3 [148],-0.417,0.01,MP,0,0,.,.,.,.,.,.,DFT,mp-567653
MMD-1602,ZnNi,4,8,cubic,F-43m [216],0.852,1.1,MP,0,0,.,.,.,.,.,.,DFT,mp-567903
MMD-1603,Ni6Se5,8,88,orthorhombic,Pca2_1 [29],-0.25,0.016,MP,0,0,.,.,.,.,.,.,DFT,mp-568251
MMD-1604,YNi3,9,36,trigonal,R-3m [166],-0.401,0 (stable),MP,0.07,0.05,.,.,.,.,.,.,DFT,mp-569196
MMD-1605,Ni4B3,4,28,monoclinic,C2/c [15],-0.279,0.003,MP,0,0,.,.,.,.,.,.,DFT,mp-569404
MMD-1606,ScNi5,1,6,hexagonal,P6/mmm [191],-0.281,0.009,MP,0.23,0.21,c,0.26,.,.,.,.,DFT,mp-570673
MMD-1607,GaNi2,2,6,hexagonal,P6_3/mmc [194],-0.301,0.024,MP,0,0,.,.,.,.,.,.,DFT,mp-570904
MMD-1608,TiNi,1,2,cubic,Pm-3m [221],-0.361,0.044,MP,0,0,.,.,.,.,.,.,DFT,mp-571
MMD-1609,NiSe,2,4,tetragonal,P4/nmm [129],-0.224,0.054,MP,0.07,0.05,.,.,.,.,.,.,DFT,mp-571033
MMD-1610,Ni3Se4,2,14,monoclinic,C2/m [12],-0.274,0.03,MP,0,0,.,.,.,.,.,.,DFT,mp-573
MMD-1611,Y2Ni7,6,54,trigonal,R-3m [166],-0.38,0 (stable),MP,0.13,0.11,.,.,.,.,.,.,DFT,mp-574339
MMD-1612,Y3Ni2,16,80,tetragonal,P4_12_12 [92],-0.361,0 (stable),MP,0,0,.,.,.,.,.,.,DFT,mp-582134
MMD-1613,NiAs,2,4,hexagonal,P6_3/mmc [194],-0.263,0.007,MP,0,0,.,.,.,.,.,.,DFT,mp-590
MMD-1614,NiS,2,4,hexagonal,P6_3/mmc [194],-0.27,0.109,MP,0,0,.,.,.,.,.,.,DFT,mp-594
MMD-1615,TiNi,9,18,trigonal,P31m [157],-0.382,0.023,MP,0.08,0.07,.,.,.,.,.,.,DFT,mp-597
MMD-1616,TiNi,2,4,orthorhombic,Pmma [51],-0.386,0.02,MP,0,0,.,.,.,.,.,.,DFT,mp-603347
MMD-1617,Al3Ni,4,16,orthorhombic,Pnma [62],-0.407,0 (stable),MP,0,0,.,.,.,.,.,.,DFT,mp-622209
MMD-1618,Zr7Ni10,4,68,orthorhombic,Cmce [64],-0.469,0.007,MP,0,0,.,.,.,.,.,.,DFT,mp-636525
MMD-1619,Ni4B3,4,28,orthorhombic,Pnma [62],-0.282,0 (stable),MP,0,0,.,.,.,.,.,.,DFT,mp-640067
MMD-1620,TiNi,6,12,triclinic,P-1 [2],-0.386,0.02,MP,0,0,.,.,.,.,.,.,DFT,mp-640189
MMD-1621,NiSe,2,4,hexagonal,P6_3/mmc [194],-0.225,0.053,MP,0,0,.,.,.,.,.,.,DFT,mp-662
MMD-1622,Nb5Ni,16,96,cubic,Fd-3m [227],0.127,0.203,MP,0,0,.,.,.,.,.,.,DFT,mp-669699
MMD-1623,AlNi3,4,16,cubic,Fm-3m [225],-0.37,0.062,MP,0,0,.,.,.,.,.,.,DFT,mp-672232
MMD-1624,Zr7Ni10,4,68,orthorhombic,Pbca [61],-0.467,0.009,MP,0,0,.,.,.,.,.,.,DFT,mp-680655
MMD-1625,Ni19Se20,1,39,triclinic,P-1 [2],-0.236,0.047,MP,0,0,.,.,.,.,.,.,DFT,mp-685124
MMD-1626,Ni3C,6,24,trigonal,R-3c [167],0.034,0.034,MP,0,0,.,.,.,.,.,.,DFT,mp-7586
MMD-1627,Ni9S10,1,19,triclinic,P-1 [2],-0.288,0.093,MP,0,0,.,.,.,.,.,.,DFT,mp-767469
MMD-1628,NiP4,6,30,monoclinic,P2_1/c [14],-0.171,0.078,MP,0,0,.,.,.,.,.,.,DFT,mp-769108
MMD-1629,NiP4,8,40,monoclinic,C2/c [15],-0.164,0.085,MP,0,0,.,.,.,.,.,.,DFT,mp-770274
MMD-1630,Ni2Mo,2,6,orthorhombic,Immm [71],-0.088,0.002,MP,0,0,.,.,.,.,.,.,DFT,mp-784630
MMD-1631,GaNi3,1,4,cubic,Pm-3m [221],-0.273,0 (stable),MP,0.2,0.2,a,.,.,.,0,.,DFT,mp-815
MMD-1632,SiNi3,1,4,cubic,Pm-3m [221],-0.454,0 (stable),MP,0,0,.,.,.,.,.,.,DFT,mp-828
MMD-1633,NiS2,4,12,cubic,Fm-3m [225],0.197,0.495,MP,0.21,0.16,a,.,.,.,0,.,DFT,mp-849053
MMD-1634,NiS2,2,6,orthorhombic,Pnnm [58],-0.243,0.055,MP,0,0,.,.,.,.,.,.,DFT,mp-849059
MMD-1635,NiS2,1,3,hexagonal,P6/mmm [191],0.847,1.145,MP,0,0,.,.,.,.,.,.,DFT,mp-849075
MMD-1636,Ni2S,2,6,tetragonal,I4/mmm [139],0.081,0.382,MP,0,0,.,.,.,.,.,.,DFT,mp-849078
MMD-1637,NiS2,2,6,hexagonal,P6_3/mmc [194],-0.063,0.235,MP,0,0,.,.,.,.,.,.,DFT,mp-849079
MMD-1638,NiS2,2,6,tetragonal,P4/nmm [129],0.095,0.394,MP,0,0,.,.,.,.,.,.,DFT,mp-849092
MMD-1639,ScNi2,8,24,cubic,Fd-3m [227],-0.524,0 (stable),MP,0,0,.,.,.,.,.,.,DFT,mp-850
MMD-1640,NiS2,4,12,orthorhombic,Pbcn [60],-0.169,0.129,MP,0,0,.,.,.,.,.,.,DFT,mp-850068
MMD-1641,Ni3S2,4,20,orthorhombic,Cmcm [63],-0.229,0.132,MP,0,0,.,.,.,.,.,.,DFT,mp-850086
MMD-1642,NiS2,2,6,monoclinic,P2_1/c [14],-0.239,0.059,MP,0,0,.,.,.,.,.,.,DFT,mp-850131
MMD-1643,Sc2Ni,32,96,cubic,Fd-3m [227],-0.359,0 (stable),MP,0,0,.,.,.,.,.,.,DFT,mp-867501
MMD-1644,Ni5As2,6,42,hexagonal,P6_3cm [185],-0.203,0 (stable),MP,0,0,.,.,.,.,.,.,DFT,mp-941
MMD-1645,NiPt,1,2,tetragonal,P4/mmm [123],-0.091,0 (stable),MP,0.56,0.48,c,5.25,.,.,.,.,DFT,mp-945
MMD-1646,ZnNi3,1,4,cubic,Pm-3m [221],-0.109,0.015,MP,0.32,0.33,a,.,.,.,0,.,DFT,mp-971758
MMD-1647,ZnNi3,2,8,tetragonal,I4/mmm [139],-0.113,0.011,MP,0.3,0.3,c,0.32,.,.,.,.,DFT,mp-971804
MMD-1648,Zn3Ni,2,8,tetragonal,I4/mmm [139],-0.163,0.016,MP,0,0,.,.,.,.,.,.,DFT,mp-971941
MMD-1649,NiN,2,4,hexagonal,P6_3mc [186],0.461,0.427,MP,0,0,.,.,.,.,.,.,DFT,mp-973933
MMD-1650,NiGe3,2,8,tetragonal,I4/mmm [139],0.265,0.415,MP,0,0,.,.,.,.,.,.,DFT,mp-976774
MMD-1651,Ni3S,2,8,tetragonal,I4/mmm [139],0.161,0.387,MP,0.26,0.27,ab plane,-0.49,.,.,.,.,DFT,mp-976809
MMD-1652,Ni3S,2,8,hexagonal,P6_3/mmc [194],0.152,0.378,MP,0.36,0.37,c,0.58,.,.,.,.,DFT,mp-976881
MMD-1653,Ni9S8,4,68,orthorhombic,C222 [21],-0.377,0 (stable),MP,0,0,.,.,.,.,.,.,DFT,mp-976920
MMD-1654,Ni3As,2,8,hexagonal,P6_3/mmc [194],-0.101,0.077,MP,0,0,.,.,.,.,.,.,DFT,mp-976930
MMD-1655,Ti3Ni,1,4,cubic,Pm-3m [221],-0.089,0.127,MP,0,0,.,.,.,.,.,.,DFT,mp-981209
MMD-1656,TiNi,1,2,tetragonal,P4/mmm [123],-0.337,0.068,MP,0.01,0,.,.,.,.,.,.,DFT,mp-998945
MMD-1657,NbNi3,1,4,cubic,Pm-3m [221],-0.157,0.154,MP,0.11,0.1,<111>,.,.,.,-0.01,.,DFT,mp-999188
MMD-1658,SiNi,2,4,orthorhombic,Pmmn [59],-0.453,0.04,MP,0,0,.,.,.,.,.,.,DFT,mp-999192
MMD-1659,NbNi3,4,16,cubic,Fm-3m [225],-0.141,0.17,MP,0,0,.,.,.,.,.,.,DFT,mp-999378
MMD-1660,Nb3Ni,2,8,tetragonal,I4/mmm [139],0.085,0.198,MP,0,0,.,.,.,.,.,.,DFT,mp-999394
MMD-1661,Nb3Ni,4,16,cubic,Fm-3m [225],0.02,0.132,MP,0,0,.,.,.,.,.,.,DFT,mp-999396
MMD-1662,Nb3Ni,1,4,cubic,Pm-3m [221],0.091,0.204,MP,0,0,.,.,.,.,.,.,DFT,mp-999437
MMD-1663,NiS2,16,48,cubic,Fd-3m [227],-0.229,0.069,MP,0,0,.,.,.,.,.,.,DFT,mvc-1
MMD-1664,NiS2,3,9,trigonal,R-3m [166],-0.237,0.062,MP,0,0,.,.,.,.,.,.,DFT,mvc-11598
MMD-1665,ZrB6,1,7,cubic,Pm-3m [221],-0.026,0.411,MP,0,0,.,.,.,.,.,.,DFT,mp-1001788
MMD-1666,ZrN2,1,3,trigonal,P-3m1 [164],0.072,1.275,MP,0,0,.,.,.,.,.,.,DFT,mp-1008600
MMD-1667,ZrN,1,2,cubic,Pm-3m [221],-0.845,0.901,MP,0,0,.,.,.,.,.,.,DFT,mp-1009836
MMD-1668,ZrC,1,2,cubic,Pm-3m [221],0.307,1.227,MP,0,0,.,.,.,.,.,.,DFT,mp-1009878
MMD-1669,ZrN,4,8,cubic,F-43m [216],-1.413,0.333,MP,0,0,.,.,.,.,.,.,DFT,mp-1009885
MMD-1670,ZrC,4,8,cubic,F-43m [216],-0.302,0.617,MP,0,0,.,.,.,.,.,.,DFT,mp-1009894
MMD-1671,ZrB,2,4,hexagonal,P-6m2 [187],-0.431,0.334,MP,0,0,.,.,.,.,.,.,DFT,mp-1014138
MMD-1672,ZrN,2,4,trigonal,P-3m1 [164],-1.693,0.053,MP,0,0,.,.,.,.,.,.,DFT,mp-1014160
MMD-1673,ZrB,2,4,hexagonal,P6_3/mmc [194],-0.43,0.334,MP,0,0,.,.,.,.,.,.,DFT,mp-1014246
MMD-1674,Zr2N,2,6,tetragonal,P4_2/mnm [136],-1.253,0 (stable),MP,0,0,.,.,.,.,.,.,DFT,mp-1014265
MMD-1675,ZrC,2,4,hexagonal,P6_3/mmc [194],-0.751,0.169,MP,0,0,.,.,.,.,.,.,DFT,mp-1014307
MMD-1676,ZrN,2,4,hexagonal,P6_3/mmc [194],-1.392,0.354,MP,0,0,.,.,.,.,.,.,DFT,mp-1017546
MMD-1677,ZrN2,2,6,tetragonal,I4/mmm [139],-0.291,0.912,MP,0,0,.,.,.,.,.,.,DFT,mp-1072543
MMD-1678,ZrB12,4,52,cubic,Fm-3m [225],-0.221,0.014,MP,0,0,.,.,.,.,.,.,DFT,mp-1084
MMD-1679,ZrN,2,4,hexagonal,P6_3/mmc [194],-1.695,0.051,MP,0,0,.,.,.,.,.,.,DFT,mp-1093992
MMD-1680,Zr3N4,4,28,cubic,I-43d [220],-1.496,0.05,MP,0,0,.,.,.,.,.,.,DFT,mp-11661
MMD-1681,ZrN2,2,6,orthorhombic,Pmmn [59],-0.787,0.416,MP,0,0,.,.,.,.,.,.,DFT,mp-1178600
MMD-1682,Zr3N,1,4,cubic,Pm-3m [221],0.639,1.579,MP,0,0,.,.,.,.,.,.,DFT,mp-1188007
MMD-1683,Zr3C,2,8,hexagonal,P6_3/mmc [194],0.678,1.158,MP,0,0,.,.,.,.,.,.,DFT,mp-1188023
MMD-1684,ZrN,2,4,hexagonal,P6_3mc [186],-1.288,0.458,MP,0,0,.,.,.,.,.,.,DFT,mp-13126
MMD-1685,ZrN,4,8,cubic,Fm-3m [225],-1.746,0 (stable),MP,0,0,.,.,.,.,.,.,DFT,mp-1352
MMD-1686,ZrB2,1,3,hexagonal,P6/mmm [191],-1.02,0 (stable),MP,0,0,.,.,.,.,.,.,DFT,mp-1472
MMD-1687,Zr3N4,4,28,orthorhombic,Pnma [62],-1.547,0 (stable),MP,0,0,.,.,.,.,.,.,DFT,mp-277
MMD-1688,ZrC,4,8,cubic,Fm-3m [225],-0.92,0 (stable),MP,0,0,.,.,.,.,.,.,DFT,mp-2795
MMD-1689,ZrB,4,8,cubic,Fm-3m [225],-0.397,0.368,MP,0,0,.,.,.,.,.,.,DFT,mp-451
MMD-1690,Zr10C9,2,38,monoclinic,C2/c [15],-0.91,0 (stable),MP,0,0,.,.,.,.,.,.,DFT,mp-684623
MMD-1691,Zr3N4,3,21,trigonal,R-3m [166],-1.499,0.048,MP,0,0,.,.,.,.,.,.,DFT,mp-754353
MMD-1692,Zr3N4,8,56,cubic,Fd-3m [227],-1.51,0.037,MP,0,0,.,.,.,.,.,.,DFT,mp-754381
MMD-1693,Zr3N2,6,30,trigonal,R-3c [167],-1.431,0.019,MP,0,0,.,.,.,.,.,.,DFT,mp-866083
MMD-1694,Nb4CoSi,2,12,tetragonal,P4/mcc [124],-0.369,.,MP,0,0,.,.,.,.,.,.,DFT,mp-10003
MMD-1695,Al(CoSi)2,1,5,trigonal,P-3m1 [164],-0.534,.,MP,0,0,.,.,.,.,.,.,DFT,mp-10010
MMD-1696,AlCo3C,1,5,cubic,Pm-3m [221],-0.257,.,MP,0,0,.,.,.,.,.,.,DFT,mp-10037
MMD-1697,Co2B4Mo,2,14,orthorhombic,Immm [71],-0.415,.,MP,0,0,.,.,.,.,.,.,DFT,mp-10055
MMD-1698,VCoB3,4,20,orthorhombic,Cmcm [63],-0.623,0 (stable),MP,0,0,.,.,.,.,.,.,DFT,mp-10057
MMD-1699,ZrCo3B2,1,6,hexagonal,P6/mmm [191],-0.582,.,MP,0,0,.,.,.,.,.,.,DFT,mp-10059
MMD-1700,Zr9CoMo4,2,28,hexagonal,P6_3/mmc [194],-0.129,0 (stable),MP,0,0,.,.,.,.,.,.,DFT,mp-1005986
MMD-1701,CrCo2Si,4,16,cubic,Fm-3m [225],-0.322,.,MP,1,1.04,.,.,.,.,.,.,DFT,mp-1008224
MMD-1702,CrCo2As,4,16,cubic,Fm-3m [225],0.033,.,MP,1.25,1.2,.,.,.,.,.,.,DFT,mp-1008277
MMD-1703,Co2MoS4,2,14,tetragonal,I-4 [82],-0.308,.,MP,0.06,0.03,.,.,.,.,.,.,DFT,mp-1023124
MMD-1704,ScCoSi,4,12,orthorhombic,Cmcm [63],-0.104,.,MP,0.24,0.18,.,.,.,.,.,.,DFT,mp-1024998
MMD-1705,TiGa5Co,1,7,tetragonal,P4/mmm [123],-0.315,.,MP,0,0,.,.,.,.,.,.,DFT,mp-1025229
MMD-1706,ScGa5Co,1,7,tetragonal,P4/mmm [123],-0.432,0 (stable),MP,0,0,.,.,.,.,.,.,DFT,mp-1025242
MMD-1707,Ti2CoS4,2,14,monoclinic,C2/m [12],-1.149,.,MP,0.13,0.09,.,.,.,.,.,.,DFT,mp-1025269
MMD-1708,V(CoSe2)2,2,14,monoclinic,C2/m [12],-0.412,.,MP,0.16,0.11,.,.,.,.,.,.,DFT,mp-1025322
MMD-1709,Ti2CoSe4,2,14,monoclinic,C2/m [12],-0.911,.,MP,0.17,0.11,.,.,.,.,.,.,DFT,mp-1025347
MMD-1710,Nb2CoS4,1,7,trigonal,P-3m1 [164],-0.566,.,MP,0,0,.,.,.,.,.,.,DFT,mp-1025350
MMD-1711,ZrGa5Co,1,7,tetragonal,P4/mmm [123],-0.402,0 (stable),MP,0,0,.,.,.,.,.,.,DFT,mp-1025355
MMD-1712,YGa5Co,1,7,tetragonal,P4/mmm [123],-0.454,0 (stable),MP,0,0,.,.,.,.,.,.,DFT,mp-1025375
MMD-1713,CoMoP2,2,8,hexagonal,P6_3/mmc [194],-0.634,0 (stable),MP,0,0,.,.,.,.,.,.,DFT,mp-1025557
MMD-1714,ScCo3C,1,5,cubic,Pm-3m [221],-0.324,0 (stable),MP,0,0,.,.,.,.,.,.,DFT,mp-10270
MMD-1715,ZnCo3C,1,5,cubic,Pm-3m [221],-0.05,.,MP,0.22,0.24,.,.,.,.,.,.,DFT,mp-10271
MMD-1716,Zr(CoGe)6,1,13,hexagonal,P6/mmm [191],-0.32,.,MP,0,0,.,.,.,.,.,.,DFT,mp-10359
MMD-1717,Nb2Co3Si,2,12,hexagonal,P6_3/mmc [194],-0.473,0 (stable),MP,0,0,.,.,.,.,.,.,DFT,mp-10366
MMD-1718,CoPSe,8,24,orthorhombic,Pbca [61],-0.471,0 (stable),MP,0,0,.,.,.,.,.,.,DFT,mp-10368
MMD-1719,CrCoGe,2,6,hexagonal,P6_3/mmc [194],-0.078,.,MP,0.79,0.75,.,.,.,.,.,.,DFT,mp-10394
MMD-1720,YCo4B,2,12,hexagonal,P6/mmm [191],-0.302,.,MP,0.62,0.58,.,.,.,.,.,.,DFT,mp-10463
MMD-1721,Ti2AlCo,4,16,cubic,F-43m [216],-0.262,.,MP,0.5,0.4,.,.,.,.,.,.,DFT,mp-1064228
MMD-1722,Co(BMo)2,2,10,orthorhombic,Immm [71],-0.506,0 (stable),MP,0,0,.,.,.,.,.,.,DFT,mp-1069105
MMD-1723,V2CoS4,2,14,monoclinic,C2/m [12],-0.823,.,MP,0,0,.,.,.,.,.,.,DFT,mp-1077935
MMD-1724,Co(SiSe2)2,2,14,monoclinic,C2/m [12],-0.093,.,MP,0.02,0.01,.,.,.,.,.,.,DFT,mp-1078078
MMD-1725,Cr2CoSe4,2,14,monoclinic,C2/m [12],-0.417,.,MP,1,0.64,.,.,.,.,.,.,DFT,mp-1078160
MMD-1726,V2CoSe4,2,14,monoclinic,C2/m [12],-0.573,.,MP,0.1,0.07,.,.,.,.,.,.,DFT,mp-1078200
MMD-1727,YCoGe2,4,16,orthorhombic,Cmcm [63],-0.633,.,MP,0,0,.,.,.,.,.,.,DFT,mp-1078645
MMD-1728,YCoSi2,4,16,orthorhombic,Cmcm [63],-0.791,.,MP,0,0,.,.,.,.,.,.,DFT,mp-1078782
MMD-1729,ZrGaCo,3,9,hexagonal,P-62m [189],-0.552,0 (stable),MP,0,0,.,.,.,.,.,.,DFT,mp-1079246
MMD-1730,AlCrCo2,4,16,cubic,Fm-3m [225],-0.247,.,MP,0.75,0.75,.,.,.,.,.,.,DFT,mp-10883
MMD-1731,Nb4CoS8,2,26,hexagonal,P6_3/mmc [194],-1.047,0 (stable),MP,0.07,0.05,.,.,.,.,.,.,DFT,mp-1094100
MMD-1732,ScCoGe,4,12,orthorhombic,Pnma [62],-0.72,0 (stable),MP,0,0,.,.,.,.,.,.,DFT,mp-1095261
MMD-1733,NbCoSi,4,12,orthorhombic,Pnma [62],-0.742,0 (stable),MP,0,0,.,.,.,.,.,.,DFT,mp-1095573
MMD-1734,CrCoSi,4,12,orthorhombic,Pnma [62],-0.368,.,MP,0.34,0.34,.,.,.,.,.,.,DFT,mp-1095673
MMD-1735,YCoGe,4,12,orthorhombic,Pnma [62],-0.656,0 (stable),MP,0,0,.,.,.,.,.,.,DFT,mp-1101785
MMD-1736,NbCoAs,4,12,orthorhombic,Pnma [62],-0.508,0 (stable),MP,0,0,.,.,.,.,.,.,DFT,mp-1101967
MMD-1737,VCoP,4,12,orthorhombic,Pnma [62],-0.84,0 (stable),MP,0.08,0.08,.,.,.,.,.,.,DFT,mp-1101982
MMD-1738,Zr4CoP,2,12,tetragonal,P4/mcc [124],-0.634,.,MP,0,0,.,.,.,.,.,.,DFT,mp-1102006
MMD-1739,TiCoP,4,12,orthorhombic,Pnma [62],-1.148,0 (stable),MP,0,0,.,.,.,.,.,.,DFT,mp-1102138
MMD-1740,ZrCoSi,4,12,orthorhombic,Pnma [62],-0.871,0 (stable),MP,0,0,.,.,.,.,.,.,DFT,mp-1102565
MMD-1741,YGaCo,4,12,orthorhombic,Pnma [62],-0.455,0 (stable),MP,0,0,.,.,.,.,.,.,DFT,mp-1102926
MMD-1742,ScCoSi,4,12,orthorhombic,Pnma [62],-0.844,0 (stable),MP,0,0,.,.,.,.,.,.,DFT,mp-1103034
MMD-1743,Y2Ga8Co,1,11,tetragonal,P4/mmm [123],-0.48,.,MP,0,0,.,.,.,.,.,.,DFT,mp-1103036
MMD-1744,ZrCoGe,4,12,orthorhombic,Pnma [62],-0.709,0 (stable),MP,0,0,.,.,.,.,.,.,DFT,mp-1103148
MMD-1745,ScCoP,4,12,orthorhombic,Pnma [62],-1.146,0 (stable),MP,0,0,.,.,.,.,.,.,DFT,mp-1103160
MMD-1746,Ti4CoS8,2,26,monoclinic,C2/m [12],-1.233,.,MP,0.1,0.07,.,.,.,.,.,.,DFT,mp-1105097
MMD-1747,CoGeAs2,4,16,tetragonal,I-42d [122],0.045,.,MP,0,0,.,.,.,.,.,.,DFT,mp-1147778
MMD-1748,Y2(Al3Co)3,4,56,orthorhombic,Cmcm [63],-0.562,0 (stable),MP,0,0,.,.,.,.,.,.,DFT,mp-11486
MMD-1749,ZrZnCo2,4,16,cubic,Fm-3m [225],-0.273,.,MP,0,0,.,.,.,.,.,.,DFT,mp-1183041
MMD-1750,AlGaCo2,4,16,cubic,Fm-3m [225],-0.414,.,MP,0,0,.,.,.,.,.,.,DFT,mp-1183148
MMD-1751,CrCo2Ge,4,16,cubic,Fm-3m [225],-0.114,.,MP,1,0.99,.,.,.,.,.,.,DFT,mp-1183740
MMD-1752,Nb3CoSe6,2,20,hexagonal,P6_322 [182],-0.777,.,MP,0.21,0.13,.,.,.,.,.,.,DFT,mp-1186227
MMD-1753,Sc2CoCu,4,16,cubic,Fm-3m [225],-0.3,.,MP,0.03,0.02,.,.,.,.,.,.,DFT,mp-1186940
MMD-1754,Ti2CoMo,4,16,cubic,Fm-3m [225],-0.248,0 (stable),MP,0,0,.,.,.,.,.,.,DFT,mp-1187432
MMD-1755,VZnCo2,4,16,cubic,Fm-3m [225],-0.154,.,MP,0.26,0.25,.,.,.,.,.,.,DFT,mp-1187698
MMD-1756,ZnGaCo2,4,16,cubic,Fm-3m [225],-0.144,0 (stable),MP,0,0,.,.,.,.,.,.,DFT,mp-1187911
MMD-1757,ZrScCo2,4,16,cubic,Fm-3m [225],-0.353,0 (stable),MP,0.27,0.2,<111>,.,.,.,0,.,DFT,mp-1188031
MMD-1758,ZrGaCo2,4,16,cubic,Fm-3m [225],-0.433,0 (stable),MP,0.25,0.21,a,.,.,.,0,.,DFT,mp-1188052
MMD-1759,Y(Co2B)6,3,57,trigonal,R-3m [166],-0.363,0 (stable),MP,0.37,0.43,.,.,.,.,.,.,DFT,mp-1188251
MMD-1760,Y2Co3Si5,4,40,monoclinic,C2/c [15],-0.777,0 (stable),MP,0.04,0.03,.,.,.,.,.,.,DFT,mp-1188435
MMD-1761,Zr3Co2Si3,4,32,orthorhombic,Cmcm [63],-0.884,.,MP,0,0,.,.,.,.,.,.,DFT,mp-1188741
MMD-1762,Sc2Co3Si5,4,40,monoclinic,C2/c [15],-0.741,0 (stable),MP,0.02,0.02,.,.,.,.,.,.,DFT,mp-1189235
MMD-1763,Sc2Co3Si5,4,40,orthorhombic,Ibam [72],-0.727,.,MP,0,0,.,.,.,.,.,.,DFT,mp-1189893
MMD-1764,Sc2Co12P7,1,21,hexagonal,P-6 [174],-0.806,0 (stable),MP,0.24,0.23,.,.,.,.,.,.,DFT,mp-1191428
MMD-1765,YCo9Si2,4,48,tetragonal,I4_1/amd [141],-0.317,.,MP,0.79,0.76,.,.,.,.,.,.,DFT,mp-1191660
MMD-1766,Y4Ga16Co3,1,23,tetragonal,P4/mmm [123],-0.503,0 (stable),MP,0,0,.,.,.,.,.,.,DFT,mp-1191866
MMD-1767,Sc4Co4Ge7,4,60,tetragonal,I4/mmm [139],-0.621,0 (stable),MP,0,0,.,.,.,.,.,.,DFT,mp-1192696
MMD-1768,Nb2(Co7B2)3,4,116,cubic,Fm-3m [225],-0.278,0 (stable),MP,0.67,0.78,.,.,.,.,.,.,DFT,mp-1192832
MMD-1769,Ti6Al16Co7,4,116,cubic,Fm-3m [225],-0.512,.,MP,0.05,0.04,.,.,.,.,.,.,DFT,mp-1192877
MMD-1770,Sc6Co16Si7,4,116,cubic,Fm-3m [225],-0.642,0 (stable),MP,0.18,0.17,.,.,.,.,.,.,DFT,mp-1192939
MMD-1771,Zr4Co2N,16,112,cubic,Fd-3m [227],-0.731,0 (stable),MP,0,0,.,.,.,.,.,.,DFT,mp-1193346
MMD-1772,Nb4CoSe8,2,26,hexagonal,P6_3/mmc [194],-0.811,0 (stable),MP,0.11,0.06,.,.,.,.,.,.,DFT,mp-1193368
MMD-1773,Sc2(Co7B2)3,4,116,cubic,Fm-3m [225],-0.271,.,MP,0.76,0.88,.,.,.,.,.,.,DFT,mp-1193429
MMD-1774,YCo9Si4,4,56,tetragonal,I4/mcm [140],-0.49,.,MP,0.36,0.34,.,.,.,.,.,.,DFT,mp-1193464
MMD-1775,Ti3(Co10B3)2,4,116,cubic,Fm-3m [225],-0.352,0 (stable),MP,0.54,0.63,.,.,.,.,.,.,DFT,mp-1193476
MMD-1776,Ti4Co4Si7,4,60,tetragonal,I4/mmm [139],-0.763,0 (stable),MP,0,0,.,.,.,.,.,.,DFT,mp-1193657
MMD-1777,Nb4Co2C,16,112,cubic,Fd-3m [227],-0.327,.,MP,0.19,0.16,.,.,.,.,.,.,DFT,mp-1193683
MMD-1778,Ti2(Co7B2)3,4,116,cubic,Fm-3m [225],-0.305,0 (stable),MP,0.69,0.81,.,.,.,.,.,.,DFT,mp-1193707
MMD-1779,Co6Mo6C,8,104,cubic,Fd-3m [227],-0.077,.,MP,0.07,0.07,.,.,.,.,.,.,DFT,mp-1193869
MMD-1780,Nb4Co2N,16,112,cubic,Fd-3m [227],-0.509,0 (stable),MP,0.08,0.06,.,.,.,.,.,.,DFT,mp-1193905
MMD-1781,V2(Co7B2)3,4,116,cubic,Fm-3m [225],-0.257,0 (stable),MP,0.65,0.77,.,.,.,.,.,.,DFT,mp-1193908
MMD-1782,V4Co2N,16,112,cubic,Fd-3m [227],-0.529,0 (stable),MP,0.25,0.26,.,.,.,.,.,.,DFT,mp-1194044
MMD-1783,Zr4Co4Si7,4,60,tetragonal,I4/mmm [139],-0.831,0 (stable),MP,0,0,.,.,.,.,.,.,DFT,mp-1194045
MMD-1784,Ti6Ga16Co7,4,116,cubic,Fm-3m [225],-0.355,.,MP,0,0,.,.,.,.,.,.,DFT,mp-1194136
MMD-1785,Ga2(Co7B2)3,4,116,cubic,Fm-3m [225],-0.205,.,MP,0.75,0.88,.,.,.,.,.,.,DFT,mp-1194289
MMD-1786,Co3Mo3C,16,112,cubic,Fd-3m [227],-0.065,.,MP,0.43,0.42,.,.,.,.,.,.,DFT,mp-1194380
MMD-1787,Zr6Al16Co7,4,116,cubic,Fm-3m [225],-0.577,0 (stable),MP,0.06,0.05,.,.,.,.,.,.,DFT,mp-1194423
MMD-1788,Zr(Zn10Co)2,8,184,cubic,Fd-3m [227],-0.167,0 (stable),MP,0,0,.,.,.,.,.,.,DFT,mp-1195250
MMD-1789,Nb13Co40Si31,2,168,hexagonal,P6/mmm [191],-0.593,.,MP,0,0,.,.,.,.,.,.,DFT,mp-1196553
MMD-1790,Y2Ga2Co15,2,38,hexagonal,P6_3/mmc [194],-0.108,.,MP,1.11,0.99,.,.,.,.,.,.,DFT,mp-1197924
MMD-1791,Y2Co14Cu3,2,38,hexagonal,P6_3/mmc [194],-0.022,.,MP,1.08,0.98,.,.,.,.,.,.,DFT,mp-1199930
MMD-1792,Y2Co14B,4,68,tetragonal,P4_2/mnm [136],-0.169,0 (stable),MP,1.09,1,.,.,.,.,.,.,DFT,mp-1200125
MMD-1793,Nb2Co4P3,4,36,hexagonal,P-62m [189],-0.785,.,MP,0.2,0.19,.,.,.,.,.,.,DFT,mp-1200248
MMD-1794,Y3Co4Ge13,2,40,cubic,Pm-3n [223],-0.41,0 (stable),MP,0,0,.,.,.,.,.,.,DFT,mp-1200302
MMD-1795,Y2Al2Co15,2,38,hexagonal,P6_3/mmc [194],-0.156,.,MP,1.07,0.95,.,.,.,.,.,.,DFT,mp-1200452
MMD-1796,ZrGa2Co,20,80,tetragonal,I4mm [107],-0.529,0 (stable),MP,0,0,.,.,.,.,.,.,DFT,mp-1201034
MMD-1797,TiCoGe2,12,48,orthorhombic,Pbam [55],-0.467,0 (stable),MP,0,0,.,.,.,.,.,.,DFT,mp-1201705
MMD-1798,YCo3P2,6,36,orthorhombic,Pmmn [59],-0.938,0 (stable),MP,0.13,0.11,.,.,.,.,.,.,DFT,mp-1203265
MMD-1799,Y2Al3Co14,2,38,hexagonal,P6_3/mmc [194],-0.207,.,MP,0.93,0.83,.,.,.,.,.,.,DFT,mp-1204905
MMD-1800,Sc2CoGe2,4,20,monoclinic,C2/m [12],-0.752,.,MP,0,0,.,.,.,.,.,.,DFT,mp-1205523
MMD-1801,Y2CoSi2,4,20,monoclinic,C2/m [12],-0.78,.,MP,0.01,0.01,.,.,.,.,.,.,DFT,mp-1206296
MMD-1802,CrCoAs,3,9,hexagonal,P-62m [189],-0.146,.,MP,1.06,0.95,.,.,.,.,.,.,DFT,mp-1206397
MMD-1803,Sc2Ga8Co,1,11,tetragonal,P4/mmm [123],-0.454,.,MP,0,0,.,.,.,.,.,.,DFT,mp-1206867
MMD-1804,CoMoP2,2,8,hexagonal,P6_3/mmc [194],-0.496,.,MP,0,0,.,.,.,.,.,.,DFT,mp-1207206
MMD-1805,Zr9(CoP2)2,2,30,tetragonal,P4/mbm [127],-0.975,0 (stable),MP,0,0,.,.,.,.,.,.,DFT,mp-1207414
MMD-1806,YCoB4,4,24,orthorhombic,Pbam [55],-0.598,0 (stable),MP,0,0,.,.,.,.,.,.,DFT,mp-1207600
MMD-1807,Y3Co2Si3,4,32,orthorhombic,Cmcm [63],-0.754,.,MP,0.12,0.07,.,.,.,.,.,.,DFT,mp-1207782
MMD-1808,Y5(Co2Ge5)2,2,38,tetragonal,P4/mbm [127],-0.663,0 (stable),MP,0,0,.,.,.,.,.,.,DFT,mp-1207788
MMD-1809,VCoAs,4,12,orthorhombic,Pnma [62],-0.403,0 (stable),MP,0.29,0.26,.,.,.,.,.,.,DFT,mp-1207799
MMD-1810,Ti3CoS6,2,20,hexagonal,P6_322 [182],-1.154,.,MP,0,0,.,.,.,.,.,.,DFT,mp-1208259
MMD-1811,Ti6Co16Ge7,4,116,cubic,Fm-3m [225],-0.375,.,MP,0,0,.,.,.,.,.,.,DFT,mp-1208302
MMD-1812,Ti20(CoB2)3,4,116,cubic,Fm-3m [225],-0.208,.,MP,0.37,0.3,.,.,.,.,.,.,DFT,mp-1208329
MMD-1813,ScCo2Ge,4,16,cubic,Fm-3m [225],-0.448,.,MP,0.25,0.22,.,.,.,.,.,.,DFT,mp-1208943
MMD-1814,Nb3Co5B2,2,20,tetragonal,P4/mbm [127],-0.336,.,MP,0,0,.,.,.,.,.,.,DFT,mp-1209993
MMD-1815,Nb2Co2Si3,8,56,tetragonal,I4/mmm [139],-0.567,.,MP,0,0,.,.,.,.,.,.,DFT,mp-1210174
MMD-1816,Al3Co3Si4,4,40,cubic,Im-3m [229],-0.455,0 (stable),MP,0,0,.,.,.,.,.,.,DFT,mp-1214851
MMD-1817,Al20(CoB2)3,4,116,cubic,Fm-3m [225],0.101,.,MP,0,0,.,.,.,.,.,.,DFT,mp-1214905
MMD-1818,Al11(CoSi)6,4,92,monoclinic,P2_1/c [14],-0.428,0 (stable),MP,0,0,.,.,.,.,.,.,DFT,mp-1214980
MMD-1819,ZrTiCo4,4,24,cubic,F-43m [216],-0.318,.,MP,0.3,0.27,.,.,.,.,.,.,DFT,mp-1215186
MMD-1820,ZrNbCo4,4,24,cubic,F-43m [216],-0.231,.,MP,0.18,0.16,.,.,.,.,.,.,DFT,mp-1215214
MMD-1821,ZrCo4Si,4,24,cubic,F-43m [216],-0.22,.,MP,0.54,0.5,.,.,.,.,.,.,DFT,mp-1215253
MMD-1822,ZrCoSi,8,24,orthorhombic,Amm2 [38],-0.619,.,MP,0,0,.,.,.,.,.,.,DFT,mp-1215304
MMD-1823,ZrAlCo4,4,24,cubic,F-43m [216],-0.339,.,MP,0.51,0.46,.,.,.,.,.,.,DFT,mp-1215333
MMD-1824,Zr8Co3Cu,2,24,orthorhombic,C222 [21],-0.222,.,MP,0,0,.,.,.,.,.,.,DFT,mp-1215345
MMD-1825,ZrAlCo,8,24,orthorhombic,Amm2 [38],-0.485,.,MP,0,0,.,.,.,.,.,.,DFT,mp-1215357
MMD-1826,Zr2CoMo3,3,18,trigonal,R-3m [166],-0.13,.,MP,0,0,.,.,.,.,.,.,DFT,mp-1215484
MMD-1827,Zn3CoS4,1,8,tetragonal,P-4m2 [115],-0.63,.,MP,0.37,0.22,.,.,.,.,.,.,DFT,mp-1215500
MMD-1828,Zr2Al3Co,3,18,trigonal,R-3m [166],-0.527,.,MP,0,0,.,.,.,.,.,.,DFT,mp-1215510
MMD-1829,Zr2Co3Mo,3,18,trigonal,R-3m [166],-0.258,.,MP,0,0,.,.,.,.,.,.,DFT,mp-1215528
MMD-1830,Zr2CoS4,2,14,monoclinic,Cm [8],-1.325,.,MP,0.14,0.08,c,0.91,0.11,-0.8,.,.,DFT,mp-1215573
MMD-1831,Zn4CoSe5,2,20,monoclinic,Cm [8],-0.553,.,MP,0.3,0.15,.,.,.,.,.,.,DFT,mp-1215583
MMD-1832,Zr3CoSe6,3,30,trigonal,R-3 [148],-1.153,.,MP,0.17,0.09,.,.,.,.,.,.,DFT,mp-1215665
MMD-1833,Zr5Co19P12,1,36,hexagonal,P-62m [189],-0.895,0 (stable),MP,0.23,0.22,.,.,.,.,.,.,DFT,mp-1215734
MMD-1834,Zr2Ga3Co,2,12,monoclinic,Cm [8],-0.513,.,MP,0,0,.,.,.,.,.,.,DFT,mp-1215776
MMD-1835,Zr2Co3Mo,2,12,hexagonal,P6_3/mmc [194],-0.271,.,MP,0,0,.,.,.,.,.,.,DFT,mp-1215796
MMD-1836,Zr3AlCo8,3,36,trigonal,R3m [160],-0.327,.,MP,0.1,0.08,.,.,.,.,.,.,DFT,mp-1215811
MMD-1837,Zr2GaCo3,2,12,hexagonal,P6_3/mmc [194],-0.426,.,MP,0,0,.,.,.,.,.,.,DFT,mp-1215817
MMD-1838,YZr2Co9,3,36,trigonal,R3m [160],-0.204,.,MP,0.76,0.65,.,.,.,.,.,.,DFT,mp-1215821
MMD-1839,YCoC,1,3,tetragonal,P4/mmm [123],-0.327,.,MP,0,0,.,.,.,.,.,.,DFT,mp-1215913
MMD-1840,YCo4Ge,2,12,orthorhombic,Cmmm [65],-0.24,.,MP,0.67,0.56,.,.,.,.,.,.,DFT,mp-1215928
MMD-1841,YAlCo4,1,6,hexagonal,P-6m2 [187],-0.252,.,MP,0.74,0.61,.,.,.,.,.,.,DFT,mp-1215955
MMD-1842,Y2Co3Si,3,18,trigonal,R-3m [166],-0.41,.,MP,0,0,.,.,.,.,.,.,DFT,mp-1216065
MMD-1843,Zr3Co8Si,3,36,trigonal,R3m [160],-0.292,.,MP,0.43,0.38,.,.,.,.,.,.,DFT,mp-1216086
MMD-1844,Y2AlCo3,3,18,trigonal,R-3m [166],-0.278,.,MP,0.06,0.04,.,.,.,.,.,.,DFT,mp-1216136
MMD-1845,Y2(CoCu)5,1,12,orthorhombic,Pmmm [47],-0.059,.,MP,0.48,0.39,.,.,.,.,.,.,DFT,mp-1216214
MMD-1846,Y5Co19P12,1,36,hexagonal,P-62m [189],-0.889,0 (stable),MP,0.21,0.19,.,.,.,.,.,.,DFT,mp-1216287
MMD-1847,VCrCo,8,24,orthorhombic,Amm2 [38],-0.046,.,MP,0,0,.,.,.,.,.,.,DFT,mp-1216414
MMD-1848,VCoSi,8,24,orthorhombic,Amm2 [38],-0.413,.,MP,0.03,0.03,.,.,.,.,.,.,DFT,mp-1216425
MMD-1849,TiAlCo2,1,4,tetragonal,P4/mmm [123],-0.527,.,MP,0.25,0.23,.,.,.,.,.,.,DFT,mp-1217016
MMD-1850,Y10Ga3Co7,2,40,orthorhombic,Pmc2_1 [26],-0.345,0 (stable),MP,0.14,0.08,.,.,.,.,.,.,DFT,mp-1217060
MMD-1851,Ti2Co3Si,2,12,hexagonal,P6_3/mmc [194],-0.612,0 (stable),MP,0,0,.,.,.,.,.,.,DFT,mp-1217162
MMD-1852,Ti3CoS6,3,30,trigonal,R-3 [148],-1.21,.,MP,0.11,0.08,.,.,.,.,.,.,DFT,mp-1217185
MMD-1853,Ti5CoSe10,1,16,triclinic,P-1 [2],-1.037,.,MP,0.09,0.05,.,.,.,.,.,.,DFT,mp-1217213
MMD-1854,Sc4CoSi7,1,12,orthorhombic,Pmm2 [25],-0.47,.,MP,0,0,.,.,.,.,.,.,DFT,mp-1219384
MMD-1855,ScAlCo,8,24,orthorhombic,Amm2 [38],-0.477,.,MP,0.07,0.05,.,.,.,.,.,.,DFT,mp-1219393
MMD-1856,Sc2AlCo3,3,18,trigonal,R-3m [166],-0.42,.,MP,0.12,0.1,.,.,.,.,.,.,DFT,mp-1219430
MMD-1857,NbAlCo4,2,12,trigonal,P-3m1 [164],-0.21,.,MP,0.33,0.32,.,.,.,.,.,.,DFT,mp-1220480
MMD-1858,NbVCo,8,24,orthorhombic,Amm2 [38],-0.172,0 (stable),MP,0,0,.,.,.,.,.,.,DFT,mp-1220522
MMD-1859,Nb2GaCo3,2,12,hexagonal,P6_3/mmc [194],-0.254,.,MP,0,0,.,.,.,.,.,.,DFT,mp-1220716
MMD-1860,Nb2Co3Ge,2,12,hexagonal,P6_3/mmc [194],-0.322,0 (stable),MP,0,0,.,.,.,.,.,.,DFT,mp-1220720
MMD-1861,Nb3Co8Si,1,12,trigonal,P3m1 [156],-0.162,.,MP,0.25,0.23,.,.,.,.,.,.,DFT,mp-1220724
MMD-1862,Nb3Co8Si,3,36,trigonal,R3m [160],-0.157,.,MP,0.19,0.18,.,.,.,.,.,.,DFT,mp-1220858
MMD-1863,Nb4Co3Si7,8,112,orthorhombic,F222 [22],-0.466,.,MP,0,0,.,.,.,.,.,.,DFT,mp-1220933
MMD-1864,Ga3Co4Ge,3,24,trigonal,R3 [146],-0.195,.,MP,0.3,0.28,.,.,.,.,.,.,DFT,mp-1224805
MMD-1865,Ga2Co6C,1,9,tetragonal,P4/mmm [123],-0.093,.,MP,0.46,0.5,.,.,.,.,.,.,DFT,mp-1224829
MMD-1866,GaCo4Ge3,3,24,trigonal,R3 [146],-0.205,.,MP,0.14,0.13,.,.,.,.,.,.,DFT,mp-1224863
MMD-1867,CoPS,4,12,cubic,P2_13 [198],-0.569,0 (stable),MP,0,0,.,.,.,.,.,.,DFT,mp-1226003
MMD-1868,CoAsSe,2,6,monoclinic,P2/m [10],-0.311,.,MP,0,0,.,.,.,.,.,.,DFT,mp-1226008
MMD-1869,CoPSe,4,12,cubic,P2_13 [198],-0.438,.,MP,0,0,.,.,.,.,.,.,DFT,mp-1226014
MMD-1870,CoSeS,4,12,cubic,P2_13 [198],-0.308,.,MP,0.3,0.23,.,.,.,.,.,.,DFT,mp-1226030
MMD-1871,CoAsSe,4,12,cubic,P2_13 [198],-0.352,.,MP,0,0,.,.,.,.,.,.,DFT,mp-1226036
MMD-1872,Co5CuS8,4,56,cubic,F-43m [216],-0.442,.,MP,0,0,.,.,.,.,.,.,DFT,mp-1226056
MMD-1873,Co3SiMo2,2,12,hexagonal,P6_3/mmc [194],-0.314,0 (stable),MP,0,0,.,.,.,.,.,.,DFT,mp-1226069
MMD-1874,CoCuS4,2,12,monoclinic,P2_1/c [14],-0.237,.,MP,0.06,0.05,.,.,.,.,.,.,DFT,mp-1226070
MMD-1875,CoSiMo,8,24,orthorhombic,Amm2 [38],-0.358,.,MP,0,0,.,.,.,.,.,.,DFT,mp-1226108
MMD-1876,CoMo4N5,2,20,orthorhombic,Amm2 [38],-0.159,.,MP,0.01,0.01,.,.,.,.,.,.,DFT,mp-1226133
MMD-1877,Co3SiGe2,4,24,triclinic,P1 [1],-0.306,.,MP,0,0,.,.,.,.,.,.,DFT,mp-1226179
MMD-1878,CrCoB,8,24,orthorhombic,Fmmm [69],-0.288,.,MP,0.32,0.41,.,.,.,.,.,.,DFT,mp-1226217
MMD-1879,CrCoSi2,2,8,monoclinic,P2_1 [4],-0.413,.,MP,0.14,0.14,.,.,.,.,.,.,DFT,mp-1226249
MMD-1880,CoGeMo,8,24,orthorhombic,Amm2 [38],0.056,.,MP,0,0,.,.,.,.,.,.,DFT,mp-1226367
MMD-1881,Cr2CoP3,4,24,monoclinic,Pm [6],-0.55,.,MP,0.24,0.24,.,.,.,.,.,.,DFT,mp-1226398
MMD-1882,Co2SiGe,2,8,monoclinic,P2_1 [4],-0.372,.,MP,0,0,.,.,.,.,.,.,DFT,mp-1226449
MMD-1883,Co2PS3,2,12,monoclinic,P2_1 [4],-0.454,.,MP,0.16,0.14,.,.,.,.,.,.,DFT,mp-1226453
MMD-1884,Co2(GeS)3,4,32,monoclinic,C2/m [12],-0.173,.,MP,0,0,.,.,.,.,.,.,DFT,mp-1226567
MMD-1885,Co12Ge4C,1,17,tetragonal,P4/mmm [123],-0.039,.,MP,0.47,0.49,.,.,.,.,.,.,DFT,mp-1226575
MMD-1886,Al6CoCu3,1,10,trigonal,P3m1 [156],-0.304,.,MP,0,0,.,.,.,.,.,.,DFT,mp-1228194
MMD-1887,AlGaCo2,1,4,tetragonal,P4/mmm [123],-0.416,0 (stable),MP,0,0,.,.,.,.,.,.,DFT,mp-1228893
MMD-1888,AlVCo,8,24,orthorhombic,Amm2 [38],-0.125,.,MP,0,0,.,.,.,.,.,.,DFT,mp-1228974
MMD-1889,Co5(SiN3)2,4,52,tetragonal,P-4b2 [117],0.226,.,MP,0.54,0.6,.,.,.,.,.,.,DFT,mp-1245339
MMD-1890,AlCoN2,4,16,tetragonal,I-42d [122],-0.367,.,MP,0.1,0.11,.,.,.,.,.,.,DFT,mp-1245486
MMD-1891,GaCo2N3,8,48,monoclinic,C2/c [15],0.45,.,MP,0,0,.,.,.,.,.,.,DFT,mp-1245644
MMD-1892,CoCN,3,9,trigonal,R3m [160],0.312,.,MP,0,0,.,.,.,.,.,.,DFT,mp-1245659
MMD-1893,Ti(CoN)4,2,18,triclinic,P-1 [2],-0.075,.,MP,0,0,.,.,.,.,.,.,DFT,mp-1245662
MMD-1894,Co(CN)2,2,10,cubic,P-43m [215],0.405,.,MP,0.6,0.37,.,.,.,.,.,.,DFT,mp-1245666
MMD-1895,GaCoN2,4,16,orthorhombic,Pna2_1 [33],0.147,.,MP,0.11,0.12,.,.,.,.,.,.,DFT,mp-1245681
MMD-1896,Co3Si6N11,2,40,tetragonal,P4bm [100],-0.184,.,MP,0.4,0.42,.,.,.,.,.,.,DFT,mp-1245708
MMD-1897,Co(CN)2,8,40,orthorhombic,Cmce [64],0.318,.,MP,0.2,0.14,.,.,.,.,.,.,DFT,mp-1245710
MMD-1898,Nb5CoN9,4,60,monoclinic,P2_1/c [14],-0.539,.,MP,0,0,.,.,.,.,.,.,DFT,mp-1245718
MMD-1899,CrCo2N3,8,48,orthorhombic,Cmce [64],0.222,.,MP,0.02,0.02,.,.,.,.,.,.,DFT,mp-1245722
MMD-1900,Cr(CoN)3,4,28,hexagonal,P6_3/mmc [194],0.08,.,MP,0,0,.,.,.,.,.,.,DFT,mp-1245726
MMD-1901,VCoN2,2,8,hexagonal,P6_3/mmc [194],-0.282,.,MP,0,0,.,.,.,.,.,.,DFT,mp-1245739
MMD-1902,Ga2CoN3,4,24,orthorhombic,Cmc2_1 [36],0.001,.,MP,0.35,0.36,.,.,.,.,.,.,DFT,mp-1245747
MMD-1903,Co7GeN6,4,56,orthorhombic,Pbcn [60],0.298,.,MP,0.07,0.08,.,.,.,.,.,.,DFT,mp-1245898
MMD-1904,Co(CN)2,4,20,triclinic,P-1 [2],0.319,.,MP,0.2,0.14,.,.,.,.,.,.,DFT,mp-1245914
MMD-1905,ZnCoN2,4,16,orthorhombic,Pna2_1 [33],0.268,.,MP,0,0,.,.,.,.,.,.,DFT,mp-1245979
MMD-1906,TiCoN2,2,8,hexagonal,P6_3/mmc [194],-0.528,.,MP,0,0,.,.,.,.,.,.,DFT,mp-1246050
MMD-1907,V(CoN)4,2,18,triclinic,P-1 [2],0.011,.,MP,0,0,.,.,.,.,.,.,DFT,mp-1246063
MMD-1908,VCo2N3,4,24,orthorhombic,Cmc2_1 [36],-0.199,.,MP,0,0,.,.,.,.,.,.,DFT,mp-1246070
MMD-1909,Zr(CoN)4,2,18,triclinic,P-1 [2],-0.142,.,MP,0,0,.,.,.,.,.,.,DFT,mp-1246090
MMD-1910,Co4CN4,4,36,orthorhombic,Pnma [62],0.332,.,MP,0.02,0.03,.,.,.,.,.,.,DFT,mp-1246094
MMD-1911,CoC2N3,8,48,monoclinic,C2/c [15],0.441,.,MP,0.33,0.26,.,.,.,.,.,.,DFT,mp-1246117
MMD-1912,Sc2Co3N4,4,36,monoclinic,C2/c [15],-0.54,.,MP,0,0,.,.,.,.,.,.,DFT,mp-1246196
MMD-1913,CoGeN2,4,16,orthorhombic,Pna2_1 [33],0.21,.,MP,0.75,0.76,.,.,.,.,.,.,DFT,mp-1246231
MMD-1914,Co(C4N3)2,2,30,orthorhombic,Pmna [53],0.389,.,MP,0.07,0.06,.,.,.,.,.,.,DFT,mp-1246287
MMD-1915,Cr2Co3N4,4,36,monoclinic,C2/c [15],-0.031,.,MP,0,0,.,.,.,.,.,.,DFT,mp-1246290
MMD-1916,CoGeN2,2,8,hexagonal,P6_3/mmc [194],0.643,.,MP,0,0,.,.,.,.,.,.,DFT,mp-1246480
MMD-1917,Co11(CN5)2,2,46,tetragonal,P4_2/mnm [136],0.379,.,MP,0.1,0.12,.,.,.,.,.,.,DFT,mp-1246536
MMD-1918,CoSi7N10,2,36,monoclinic,Pc [7],-0.775,.,MP,0.17,0.16,.,.,.,.,.,.,DFT,mp-1246538
MMD-1919,Co(C4N3)2,6,90,monoclinic,Cm [8],0.384,.,MP,0.07,0.05,.,.,.,.,.,.,DFT,mp-1246539
MMD-1920,CoMoN3,4,20,triclinic,P-1 [2],0.299,.,MP,0.04,0.02,.,.,.,.,.,.,DFT,mp-1246547
MMD-1921,CrCo2N3,4,24,orthorhombic,Cmc2_1 [36],-0.067,.,MP,0,0,.,.,.,.,.,.,DFT,mp-1246564
MMD-1922,Co2CuN2,3,15,trigonal,R-3m [166],0.246,.,MP,0.02,0.02,.,.,.,.,.,.,DFT,mp-1246591
MMD-1923,AlCoN2,4,16,orthorhombic,Pna2_1 [33],-0.336,.,MP,0.03,0.04,.,.,.,.,.,.,DFT,mp-1246670
MMD-1924,Al2CoN3,4,24,orthorhombic,Cmc2_1 [36],-0.639,.,MP,0.35,0.39,.,.,.,.,.,.,DFT,mp-1246714
MMD-1925,Co2Ge5N8,8,120,orthorhombic,Pbca [61],0.283,.,MP,0.27,0.23,.,.,.,.,.,.,DFT,mp-1246730
MMD-1926,V2Co3N4,4,36,monoclinic,C2/c [15],-0.248,.,MP,0,0,.,.,.,.,.,.,DFT,mp-1246838
MMD-1927,Co4GeN4,4,36,orthorhombic,Pnna [52],0.34,.,MP,0,0,.,.,.,.,.,.,DFT,mp-1246852
MMD-1928,ZrCoN2,4,16,orthorhombic,Pnma [62],-0.673,.,MP,0.23,0.23,b,0.36,-0.09,-0.45,.,.,DFT,mp-1246862
MMD-1929,CoSi2N3,4,24,orthorhombic,Cmc2_1 [36],-0.582,.,MP,0.33,0.39,.,.,.,.,.,.,DFT,mp-1246895
MMD-1930,Co2(CN2)3,2,22,monoclinic,C2/m [12],0.342,.,MP,0,0,.,.,.,.,.,.,DFT,mp-1246944
MMD-1931,Co2CuN2,2,10,orthorhombic,Pmmn [59],0.388,.,MP,0,0.01,.,.,.,.,.,.,DFT,mp-1246956
MMD-1932,CoGeN2,16,64,orthorhombic,Pbca [61],0.244,.,MP,0,0,.,.,.,.,.,.,DFT,mp-1246968
MMD-1933,Y2Co3N4,4,36,monoclinic,C2/c [15],-0.486,.,MP,0.01,0.01,.,.,.,.,.,.,DFT,mp-1246971
MMD-1934,TiCoN2,4,16,orthorhombic,Pnma [62],-0.702,.,MP,0.2,0.24,.,.,.,.,.,.,DFT,mp-1247032
MMD-1935,Co2(CN2)3,6,66,trigonal,R-3c [167],0.217,.,MP,0,0,.,.,.,.,.,.,DFT,mp-1247219
MMD-1936,CoGe7N10,2,36,monoclinic,Pc [7],0.216,.,MP,0.06,0.05,.,.,.,.,.,.,DFT,mp-1247269
MMD-1937,CoC2N3,3,18,trigonal,P3_121 [152],0.517,.,MP,0.33,0.39,.,.,.,.,.,.,DFT,mp-1247301
MMD-1938,Co3Ge6N11,2,40,tetragonal,P4bm [100],0.655,.,MP,0.18,0.19,.,.,.,.,.,.,DFT,mp-1247382
MMD-1939,Co(C2N3)3,4,64,orthorhombic,Cmcm [63],0.481,.,MP,0.23,0.16,.,.,.,.,.,.,DFT,mp-1247408
MMD-1940,Zr(CoN)2,1,5,trigonal,P-3m1 [164],-0.468,.,MP,0.24,0.27,c,0.31,.,.,.,.,DFT,mp-1247441
MMD-1941,Zn5CoN4,2,20,orthorhombic,Pmmn [59],0.283,.,MP,0.29,0.29,.,.,.,.,.,.,DFT,mp-1247475
MMD-1942,Co7SiN6,4,56,orthorhombic,Pbcn [60],0.152,.,MP,0,0,.,.,.,.,.,.,DFT,mp-1247482
MMD-1943,Co5CuN4,2,20,orthorhombic,Pmmn [59],0.259,.,MP,0,0,.,.,.,.,.,.,DFT,mp-1247509
MMD-1944,Co5(GeN3)2,4,52,monoclinic,C2/c [15],0.438,.,MP,0,0,.,.,.,.,.,.,DFT,mp-1247510
MMD-1945,CrCoN2,2,8,hexagonal,P6_3/mmc [194],0.006,.,MP,0,0,.,.,.,.,.,.,DFT,mp-1247540
MMD-1946,Zr6Al2Co,1,9,hexagonal,P-62m [189],-0.35,0 (stable),MP,0,0,.,.,.,.,.,.,DFT,mp-12760
MMD-1947,TiCoSi,3,9,hexagonal,P-62m [189],-0.791,.,MP,0,0,.,.,.,.,.,.,DFT,mp-15657
MMD-1948,Nb2Co12P7,1,21,hexagonal,P-6 [174],-0.652,0 (stable),MP,0.19,0.2,.,.,.,.,.,.,DFT,mp-15842
MMD-1949,CoAsS,4,12,cubic,P2_13 [198],-0.444,.,MP,0,0,.,.,.,.,.,.,DFT,mp-16363
MMD-1950,YAl2Co,4,16,orthorhombic,Cmcm [63],-0.539,0 (stable),MP,0,0,.,.,.,.,.,.,DFT,mp-16493
MMD-1951,Al12Co4Cu,6,102,monoclinic,C2/m [12],-0.411,0 (stable),MP,0,0,.,.,.,.,.,.,DFT,mp-17017
MMD-1952,Al7CoCu2,4,40,tetragonal,P4/mnc [128],-0.276,.,MP,0,0,.,.,.,.,.,.,DFT,mp-17856
MMD-1953,Zr2Co4P3,4,36,hexagonal,P-62m [189],-1.035,0 (stable),MP,0.05,0.05,.,.,.,.,.,.,DFT,mp-18133
MMD-1954,Zr4Co7Ge6,2,34,cubic,Im-3m [229],-0.604,0 (stable),MP,0,0,.,.,.,.,.,.,DFT,mp-18135
MMD-1955,Co2CuGe2,2,10,orthorhombic,Pmma [51],-0.167,0 (stable),MP,0.11,0.1,.,.,.,.,.,.,DFT,mp-19955
MMD-1956,ZnCo2Ge,4,16,cubic,Fm-3m [225],-0.117,0 (stable),MP,0.09,0.09,.,.,.,.,.,.,DFT,mp-19971
MMD-1957,TiGaCo2,4,16,cubic,Fm-3m [225],-0.504,0 (stable),MP,0.25,0.23,.,.,.,.,.,.,DFT,mp-20145
MMD-1958,VCo2Si,4,16,cubic,Fm-3m [225],-0.436,.,MP,0.74,0.75,.,.,.,.,.,.,DFT,mp-20586
MMD-1959,Y2Co3Si5,4,40,orthorhombic,Ibam [72],-0.774,.,MP,0.03,0.02,.,.,.,.,.,.,DFT,mp-20618
MMD-1960,NbCoB2,4,16,orthorhombic,Pnma [62],-0.641,.,MP,0,0,.,.,.,.,.,.,DFT,mp-20877
MMD-1961,Cr2CoS4,8,56,cubic,Fd-3m [227],-0.566,.,MP,1.08,0.75,.,.,.,.,.,.,DFT,mp-21299
MMD-1962,TiCoSi,4,12,orthorhombic,Pnma [62],-0.818,0 (stable),MP,0,0,.,.,.,.,.,.,DFT,mp-21306
MMD-1963,CoBMo,4,12,orthorhombic,Pnma [62],-0.456,0 (stable),MP,0,0,.,.,.,.,.,.,DFT,mp-21347
MMD-1964,VCoSi,4,12,orthorhombic,Pnma [62],-0.603,0 (stable),MP,0,0,.,.,.,.,.,.,DFT,mp-21371
MMD-1965,YCoC,2,6,tetragonal,P4_2/mmc [131],-0.383,0 (stable),MP,0.14,0.1,.,.,.,.,.,.,DFT,mp-21422
MMD-1966,Nb4CoP,2,12,tetragonal,P4/mcc [124],-0.457,.,MP,0,0,.,.,.,.,.,.,DFT,mp-21447
MMD-1967,NbCoP,4,12,orthorhombic,Pnma [62],-0.904,0 (stable),MP,0,0,.,.,.,.,.,.,DFT,mp-21449
MMD-1968,Y3GaCo3,4,28,orthorhombic,Cmcm [63],-0.333,0 (stable),MP,0.15,0.09,.,.,.,.,.,.,DFT,mp-21491
MMD-1969,ScCoGe2,12,48,orthorhombic,Pbam [55],-0.58,.,MP,0,0,.,.,.,.,.,.,DFT,mp-21739
MMD-1970,Y4GaCo4,2,18,monoclinic,C2/m [12],-0.301,0 (stable),MP,0.08,0.05,.,.,.,.,.,.,DFT,mp-21875
MMD-1971,Co3Mo3N,16,112,cubic,Fd-3m [227],-0.167,.,MP,0.56,0.54,.,.,.,.,.,.,DFT,mp-22166
MMD-1972,Zr6Ga2Co,1,9,hexagonal,P-62m [189],-0.416,0 (stable),MP,0,0,.,.,.,.,.,.,DFT,mp-22167
MMD-1973,Zr4Co4Ge7,4,60,tetragonal,I4/mmm [139],-0.617,0 (stable),MP,0,0,.,.,.,.,.,.,DFT,mp-22233
MMD-1974,CoMoP,4,12,orthorhombic,Pnma [62],-0.621,0 (stable),MP,0,0,.,.,.,.,.,.,DFT,mp-22262
MMD-1975,Co(C2N3)2,2,22,orthorhombic,Pnnm [58],0.346,.,MP,0.27,0.22,.,.,.,.,.,.,DFT,mp-22403
MMD-1976,TiCoGe,3,9,hexagonal,P-62m [189],-0.592,0 (stable),MP,0.08,0.07,.,.,.,.,.,.,DFT,mp-22769
MMD-1977,VGaCo2,4,16,cubic,Fm-3m [225],-0.296,0 (stable),MP,0.5,0.49,.,.,.,.,.,.,DFT,mp-22790
MMD-1978,Sc2Co3Si,2,12,hexagonal,P6_3/mmc [194],-0.61,0 (stable),MP,0,0,.,.,.,.,.,.,DFT,mp-27319
MMD-1979,Zr6CoAs2,1,9,hexagonal,P-62m [189],-0.743,0 (stable),MP,0,0,.,.,.,.,.,.,DFT,mp-29135
MMD-1980,Zr2CoP,2,8,monoclinic,P2_1/m [11],-0.957,0 (stable),MP,0,0,.,.,.,.,.,.,DFT,mp-29152
MMD-1981,Co(SiP)3,4,28,monoclinic,P2_1 [4],-0.327,0 (stable),MP,0,0,.,.,.,.,.,.,DFT,mp-29187
MMD-1982,Co2(GeS)3,12,96,trigonal,R-3 [148],-0.43,0 (stable),MP,0,0,.,.,.,.,.,.,DFT,mp-2956
MMD-1983,YGa2Co3,3,18,hexagonal,P6/mmm [191],-0.349,0 (stable),MP,0.18,0.14,.,.,.,.,.,.,DFT,mp-30557
MMD-1984,Sc3Co2Ge3,4,32,orthorhombic,Cmcm [63],-0.734,.,MP,0,0,.,.,.,.,.,.,DFT,mp-31191
MMD-1985,Y(CoB)2,2,10,tetragonal,I4/mmm [139],-0.583,0 (stable),MP,0,0,.,.,.,.,.,.,DFT,mp-3515
MMD-1986,TiCo2Si,4,16,cubic,Fm-3m [225],-0.665,0 (stable),MP,0.5,0.49,.,.,.,.,.,.,DFT,mp-3657
MMD-1987,CoAsS,4,12,monoclinic,P2_1/c [14],-0.25,.,MP,0,0,.,.,.,.,.,.,DFT,mp-3699
MMD-1988,ZrAlCo2,4,16,cubic,Fm-3m [225],-0.523,0 (stable),MP,0.25,0.21,a,.,.,.,0,.,DFT,mp-3909
MMD-1989,Co2CuS4,8,56,cubic,Fd-3m [227],-0.438,0 (stable),MP,0,0,.,.,.,.,.,.,DFT,mp-3925
MMD-1990,Zr2CoSi2,4,20,monoclinic,C2/m [12],-0.907,0 (stable),MP,0,0,.,.,.,.,.,.,DFT,mp-4022
MMD-1991,Sc(CoSi)2,2,10,tetragonal,I4/mmm [139],-0.79,0 (stable),MP,0,0,.,.,.,.,.,.,DFT,mp-4131
MMD-1992,Ga2CoS4,2,14,tetragonal,I-4 [82],-0.528,.,MP,0.43,0.24,.,.,.,.,.,.,DFT,mp-4152
MMD-1993,Nb3Co4B7,4,56,orthorhombic,Cmcm [63],-0.618,0 (stable),MP,0,0,.,.,.,.,.,.,DFT,mp-4212
MMD-1994,YCoC2,2,8,orthorhombic,Amm2 [38],-0.424,0 (stable),MP,0,0,.,.,.,.,.,.,DFT,mp-4248
MMD-1995,NbGaCo2,4,16,cubic,Fm-3m [225],-0.316,0 (stable),MP,0.5,0.44,.,.,.,.,.,.,DFT,mp-4364
MMD-1996,TiCo2Ge,4,16,cubic,Fm-3m [225],-0.494,0 (stable),MP,0.5,0.47,.,.,.,.,.,.,DFT,mp-4612
MMD-1997,CoAsS,4,12,orthorhombic,Pca2_1 [29],-0.447,0 (stable),MP,0,0,.,.,.,.,.,.,DFT,mp-4627
MMD-1998,Y(CoGe)2,2,10,tetragonal,I4/mmm [139],-0.606,0 (stable),MP,0,0,.,.,.,.,.,.,DFT,mp-4908
MMD-1999,ScCo3B2,1,6,hexagonal,P6/mmm [191],-0.558,0 (stable),MP,0,0,.,.,.,.,.,.,DFT,mp-4938
MMD-2000,AlVCo2,4,16,cubic,Fm-3m [225],-0.426,0 (stable),MP,0.5,0.49,.,.,.,.,.,.,DFT,mp-4955
MMD-2001,YCo3B2,1,6,hexagonal,P6/mmm [191],-0.499,0 (stable),MP,0,0,.,.,.,.,.,.,DFT,mp-5019
MMD-2002,Ti3Co5B2,2,20,tetragonal,P4/mbm [127],-0.564,0 (stable),MP,0,0,.,.,.,.,.,.,DFT,mp-504617
MMD-2003,Y4CoB13,2,36,tetragonal,P4/mnc [128],-0.483,.,MP,0,0,.,.,.,.,.,.,DFT,mp-504861
MMD-2004,YCo5P3,4,36,orthorhombic,Pnma [62],-0.841,0 (stable),MP,0.15,0.14,.,.,.,.,.,.,DFT,mp-505011
MMD-2005,CoAsSe,8,24,orthorhombic,Pbca [61],-0.363,0 (stable),MP,0,0,.,.,.,.,.,.,DFT,mp-505511
MMD-2006,Al3(Co10B3)2,4,116,cubic,Fm-3m [225],-0.294,.,MP,0.63,0.74,.,.,.,.,.,.,DFT,mp-505537
MMD-2007,Co2Mo4C,16,112,cubic,Fd-3m [227],-0.097,.,MP,0.14,0.12,.,.,.,.,.,.,DFT,mp-505574
MMD-2008,Nb3Co3C,16,112,cubic,Fd-3m [227],-0.316,.,MP,0.2,0.18,.,.,.,.,.,.,DFT,mp-505601
MMD-2009,Nb3Co2Si,16,96,cubic,Fd-3m [227],-0.393,.,MP,0,0,.,.,.,.,.,.,DFT,mp-505627
MMD-2010,Nb9Co4Ge,4,56,tetragonal,I4/mcm [140],-0.201,.,MP,0,0,.,.,.,.,.,.,DFT,mp-505764
MMD-2011,Sc3CoC4,2,16,orthorhombic,Immm [71],-0.528,0 (stable),MP,0,0,.,.,.,.,.,.,DFT,mp-5075
MMD-2012,Co2(GeSe)3,12,96,trigonal,R-3 [148],-0.354,0 (stable),MP,0,0,.,.,.,.,.,.,DFT,mp-5094
MMD-2013,Y(CoSi)2,2,10,tetragonal,I4/mmm [139],-0.832,0 (stable),MP,0,0,.,.,.,.,.,.,DFT,mp-5129
MMD-2014,NbAlCo2,4,16,cubic,Fm-3m [225],-0.433,0 (stable),MP,0.5,0.44,.,.,.,.,.,.,DFT,mp-5149
MMD-2015,TiAlCo2,4,16,cubic,Fm-3m [225],-0.615,0 (stable),MP,0.25,0.23,.,.,.,.,.,.,DFT,mp-5407
MMD-2016,Zr2(Co7B2)3,4,116,cubic,Fm-3m [225],-0.29,.,MP,0.7,0.8,.,.,.,.,.,.,DFT,mp-541854
MMD-2017,Zr2(Co7B2)3,1,29,cubic,Fm-3m [225],-0.29,.,MP,0.7,0.8,.,.,.,.,.,.,DFT,mp-541854p
MMD-2018,Nb6Co16Si7,4,116,cubic,Fm-3m [225],-0.561,0 (stable),MP,0,0,.,.,.,.,.,.,DFT,mp-541938
MMD-2019,Co2Mo3N,4,24,cubic,P4_132 [213],-0.19,0 (stable),MP,0.34,0.32,.,.,.,.,.,.,DFT,mp-542316
MMD-2020,Sc5(Co2Si5)2,2,38,tetragonal,P4/mbm [127],-0.742,0 (stable),MP,0,0,.,.,.,.,.,.,DFT,mp-542493
MMD-2021,Cr2(Co7B2)3,4,116,cubic,Fm-3m [225],-0.183,.,MP,0.69,0.83,.,.,.,.,.,.,DFT,mp-542727
MMD-2022,Co21(B3Mo)2,4,116,cubic,Fm-3m [225],-0.225,0 (stable),MP,0.65,0.76,.,.,.,.,.,.,DFT,mp-542728
MMD-2023,CoAsS,2,6,orthorhombic,Pmn2_1 [31],-0.447,.,MP,0,0,.,.,.,.,.,.,DFT,mp-553946
MMD-2024,CoCN2,2,8,hexagonal,P6_3/mmc [194],0.326,.,MP,0.42,0.49,.,.,.,.,.,.,DFT,mp-567767
MMD-2025,CrGaCo2,4,16,cubic,Fm-3m [225],-0.103,.,MP,0.76,0.75,.,.,.,.,.,.,DFT,mp-567981
MMD-2026,Zr(CoSi)2,2,10,tetragonal,I4/mmm [139],-0.814,0 (stable),MP,0,0,.,.,.,.,.,.,DFT,mp-569344
MMD-2027,Nb6Co16Ge7,4,116,cubic,Fm-3m [225],-0.298,0 (stable),MP,0.01,0.01,.,.,.,.,.,.,DFT,mp-580140
MMD-2028,Y5GaCo5,4,44,orthorhombic,Cmcm [63],-0.281,0 (stable),MP,0,0,.,.,.,.,.,.,DFT,mp-582751
MMD-2029,CoAsS,4,12,orthorhombic,Pca2_1 [29],-0.149,.,MP,0,0,.,.,.,.,.,.,DFT,mp-613314
MMD-2030,ScCoC2,2,8,tetragonal,P4/nmm [129],-0.398,0 (stable),MP,0,0,.,.,.,.,.,.,DFT,mp-615314
MMD-2031,ZrCo3B2,9,54,trigonal,R-3m [166],-0.591,0 (stable),MP,0,0,.,.,.,.,.,.,DFT,mp-618324
MMD-2032,NbCrCo,4,12,cubic,F-43m [216],0.819,.,MP,0.99,0.7,.,.,.,.,.,.,DFT,mp-631299
MMD-2033,Co2Mo4N,16,112,cubic,Fd-3m [227],-0.17,0 (stable),MP,0.03,0.02,.,.,.,.,.,.,DFT,mp-644838
MMD-2034,Zr6Co16Ge7,4,116,cubic,Fm-3m [225],-0.468,.,MP,0,0,.,.,.,.,.,.,DFT,mp-672654
MMD-2035,Zr6Co16Si7,4,116,cubic,Fm-3m [225],-0.675,0 (stable),MP,0.11,0.1,.,.,.,.,.,.,DFT,mp-672680
MMD-2036,Co(Mo3Se4)4,1,29,triclinic,P1 [1],-0.495,.,MP,0.06,0.03,.,.,.,.,.,.,DFT,mp-675208
MMD-2037,Ti7Co3N10,2,40,orthorhombic,Imm2 [44],-0.967,.,MP,0.14,0.18,.,.,.,.,.,.,DFT,mp-675585
MMD-2038,Cr2CoSe4,1,7,triclinic,P-1 [2],0.724,.,MP,0.74,0.43,.,.,.,.,.,.,DFT,mp-676073
MMD-2039,CoPS3,4,20,monoclinic,C2/m [12],-0.228,.,MP,0.2,0.12,.,.,.,.,.,.,DFT,mp-676437
MMD-2040,Nb3CoS6,2,20,hexagonal,P6_322 [182],-1.028,0 (stable),MP,0.05,0.04,.,.,.,.,.,.,DFT,mp-7116
MMD-2041,Co(MoS2)2,2,14,monoclinic,C2/m [12],-0.625,.,MP,0.02,0.02,.,.,.,.,.,.,DFT,mp-7923
MMD-2042,ZrCoP,4,12,orthorhombic,Pnma [62],-1.167,0 (stable),MP,0,0,.,.,.,.,.,.,DFT,mp-8418
MMD-2043,ScAlCo2,4,16,cubic,Fm-3m [225],-0.5,0 (stable),MP,0,0,.,.,.,.,.,.,DFT,mp-862602
MMD-2044,NbZnCo2,4,16,cubic,Fm-3m [225],-0.181,0 (stable),MP,0.25,0.23,.,.,.,.,.,.,DFT,mp-864857
MMD-2045,VCo2Ge,4,16,cubic,Fm-3m [225],-0.231,0 (stable),MP,0.74,0.72,.,.,.,.,.,.,DFT,mp-865465
MMD-2046,TiZnCo2,4,16,cubic,Fm-3m [225],-0.345,0 (stable),MP,0,0,.,.,.,.,.,.,DFT,mp-865898
MMD-2047,Ti2Co12P7,1,21,hexagonal,P-6 [174],-0.722,0 (stable),MP,0.26,0.27,.,.,.,.,.,.,DFT,mp-867373
MMD-2048,ScGaCo2,4,16,cubic,Fm-3m [225],-0.415,0 (stable),MP,0,0,.,.,.,.,.,.,DFT,mp-867915
MMD-2049,ZrCoAs,4,12,cubic,F-43m [216],-0.032,.,MP,0.41,0.24,a,.,.,.,0.27,.,DFT,mp-961689
MMD-2050,TiCoAs,4,12,cubic,F-43m [216],-0.123,.,MP,0.34,0.24,.,.,.,.,.,.,DFT,mp-961700
MMD-2051,Zr2Co12P7,1,21,hexagonal,P-6 [174],-0.793,0 (stable),MP,0.25,0.25,.,.,.,.,.,.,DFT,mp-972631
MMD-2052,Nb4Co4Si7,4,60,tetragonal,I4/mmm [139],-0.692,0 (stable),MP,0,0,.,.,.,.,.,.,DFT,mp-984586
MMD-2053,Sc3Co2Si3,4,32,orthorhombic,Cmcm [63],-0.836,.,MP,0,0,.,.,.,.,.,.,DFT,mp-9901
MMD-2054,Sc2CoSi2,4,20,monoclinic,C2/m [12],-0.842,0 (stable),MP,0,0,.,.,.,.,.,.,DFT,mp-9902
MMD-2055,Ti2GaCo,4,16,cubic,F-43m [216],-0.259,.,MP,0.5,0.41,.,.,.,.,.,.,DFT,mp-999054
MMD-2056,Ti2CoSi,4,16,cubic,F-43m [216],-0.354,.,MP,0.75,0.64,.,.,.,.,.,.,DFT,mp-999060
MMD-2057,Ti2CoGe,4,16,cubic,F-43m [216],-0.262,.,MP,0.75,0.61,.,.,.,.,.,.,DFT,mp-999067
MMD-2058,Zn(CoS2)4,3,39,trigonal,R-3m [166],-0.329,.,MP,0,0,.,.,.,.,.,.,DFT,mvc-11131
MMD-2059,Zn(CoS2)4,3,39,trigonal,R-3m [166],-0.335,.,MP,0,0,.,.,.,.,.,.,DFT,mvc-11285
MMD-2060,ZnCo2S5,2,16,orthorhombic,Pmmn [59],-0.259,.,MP,0,0,.,.,.,.,.,.,DFT,mvc-12859
MMD-2061,Zn(CoN)2,1,5,tetragonal,P-4m2 [115],0.459,.,MP,0,0,.,.,.,.,.,.,DFT,mvc-13747
MMD-2062,Al(CoS2)2,8,56,cubic,Fd-3m [227],-0.575,.,MP,0.02,0.01,.,.,.,.,.,.,DFT,mvc-16726
MMD-2063,Y(CoS2)2,4,28,tetragonal,I4_1/amd [141],-0.715,.,MP,0.14,0.09,.,.,.,.,.,.,DFT,mvc-16744
MMD-2064,Y(CoS2)2,4,28,orthorhombic,Imma [74],-0.849,.,MP,0.14,0.09,.,.,.,.,.,.,DFT,mvc-16778
MMD-2065,Zn2CoN2,4,20,monoclinic,C2/m [12],0.233,.,MP,0.19,0.18,.,.,.,.,.,.,DFT,mvc-2146
MMD-2066,Zn(CoS2)2,8,56,cubic,Fd-3m [227],-0.527,.,MP,0,0,.,.,.,.,.,.,DFT,mvc-98
MMD-2067,CrFe2Si,4,16,cubic,Fm-3m [225],-0.267,.,MP,0.5,0.53,.,.,.,.,.,.,DFT,mp-1018068
MMD-2068,Fe2SiS4,2,14,trigonal,P-3m1 [164],-0.38,.,MP,0,0,.,.,.,.,.,.,DFT,mp-1024054
MMD-2069,Fe2SiS4,4,28,monoclinic,P2/m [10],-0.284,.,MP,0,0,.,.,.,.,.,.,DFT,mp-1024056
MMD-2070,V2FeSe4,2,14,monoclinic,C2/m [12],-0.572,.,MP,0.4,0.27,.,.,.,.,.,.,DFT,mp-1025182
MMD-2071,Al2FeS4,3,21,trigonal,R3m [160],-0.762,.,MP,0.47,0.28,c,0.59,.,.,.,.,DFT,mp-1025204
MMD-2072,ZnFe3C,1,5,cubic,Pm-3m [221],-0.02,.,MP,0.82,0.89,a,.,.,.,0.01,.,DFT,mp-10266
MMD-2073,Al(FeS2)2,4,28,orthorhombic,Imma [74],-0.492,.,MP,0.71,0.5,.,.,.,.,.,.,DFT,mp-1045438
MMD-2074,Al2FeS4,3,21,trigonal,R-3m [166],-0.789,.,MP,0,0,.,.,.,.,.,.,DFT,mp-1078015
MMD-2075,Ga2FeSe4,1,7,tetragonal,P-42m [111],-0.446,.,MP,0.57,0.27,ab plane,-10.89,.,.,.,.,DFT,mp-1078053
MMD-2076,V(FeSe2)2,2,14,monoclinic,C2/m [12],-0.378,.,MP,0.89,0.58,.,.,.,.,.,.,DFT,mp-1078113
MMD-2077,Cr2FeS4,2,14,monoclinic,C2/m [12],-0.582,.,MP,0.42,0.35,.,.,.,.,.,.,DFT,mp-1078247
MMD-2078,Fe(BMo)2,2,10,tetragonal,P4/mbm [127],-0.453,0 (stable),MP,0.37,0.41,.,.,.,.,.,.,DFT,mp-1078299
MMD-2079,FeCu3S4,2,16,tetragonal,I-42m [121],-0.296,.,MP,0.37,0.25,.,.,.,.,.,.,DFT,mp-1078387
MMD-2080,Ga2Fe2S5,1,9,trigonal,P-3m1 [164],-0.415,.,MP,0.82,0.5,c,1.14,.,.,.,.,DFT,mp-1079795
MMD-2081,ScFeC2,2,8,tetragonal,P4/nmm [129],-0.331,.,MP,0.23,0.26,.,.,.,.,.,.,DFT,mp-1080113
MMD-2082,TiFeP,3,9,hexagonal,P-62m [189],-1.039,.,MP,0,0,.,.,.,.,.,.,DFT,mp-1080486
MMD-2083,Zr6Ga2Fe,1,9,hexagonal,P-62m [189],-0.381,0 (stable),MP,0,0,.,.,.,.,.,.,DFT,mp-1080526
MMD-2084,NbFeB,3,9,hexagonal,P-62m [189],-0.571,0 (stable),MP,0.13,0.14,.,.,.,.,.,.,DFT,mp-1080817
MMD-2085,Nb2FeB2,2,10,tetragonal,P4/mbm [127],-0.618,.,MP,0.29,0.3,.,.,.,.,.,.,DFT,mp-1086660
MMD-2086,Ti2FeSi,4,16,cubic,F-43m [216],-0.364,.,MP,0.5,0.43,.,.,.,.,.,.,DFT,mp-1094030
MMD-2087,VFeAs,3,9,hexagonal,P-62m [189],-0.313,.,MP,0.44,0.4,.,.,.,.,.,.,DFT,mp-1095040
MMD-2088,YFeGe2,4,16,orthorhombic,Cmcm [63],-0.47,.,MP,0.25,0.16,.,.,.,.,.,.,DFT,mp-1095063
MMD-2089,TiFeAs,3,9,hexagonal,P-62m [189],-0.664,0 (stable),MP,0.39,0.33,.,.,.,.,.,.,DFT,mp-1095148
MMD-2090,Fe11MoC4,1,16,triclinic,P1 [1],0.027,.,MP,1.16,1.38,.,.,.,.,.,.,DFT,mp-1096767
MMD-2091,Fe2SiS4,8,56,cubic,Fd-3m [227],-0.315,.,MP,1.05,0.71,.,.,.,.,.,.,DFT,mp-1096954
MMD-2092,FeCuS2,3,12,trigonal,R3m [160],-0.271,.,MP,0.24,0.19,.,.,.,.,.,.,DFT,mp-1096975
MMD-2093,Fe65(BN)6,1,77,monoclinic,Pm [6],-0.049,.,MP,1.97,1.95,.,.,.,.,.,.,DFT,mp-1097708
MMD-2094,TiFeP,4,12,orthorhombic,Pnma [62],-1.069,0 (stable),MP,0,0,.,.,.,.,.,.,DFT,mp-1101870
MMD-2095,FeAsSe,4,12,monoclinic,P2_1/c [14],-0.314,0 (stable),MP,0,0,.,.,.,.,.,.,DFT,mp-1101894
MMD-2096,FePS,4,12,monoclinic,P2_1/c [14],-0.545,0 (stable),MP,0,0,.,.,.,.,.,.,DFT,mp-1101971
MMD-2097,ZrFeSi,4,12,orthorhombic,Pnma [62],-0.772,0 (stable),MP,0,0,.,.,.,.,.,.,DFT,mp-1102452
MMD-2098,FeMoP,4,12,orthorhombic,Pnma [62],-0.6,0 (stable),MP,0,0,.,.,.,.,.,.,DFT,mp-1102843
MMD-2099,NbFeSi,4,12,orthorhombic,Cmcm [63],-0.581,.,MP,0.26,0.22,.,.,.,.,.,.,DFT,mp-1102925
MMD-2100,NbFeP,4,12,orthorhombic,Pnma [62],-0.9,0 (stable),MP,0,0,.,.,.,.,.,.,DFT,mp-1102980
MMD-2101,FePSe,4,12,monoclinic,P2_1/c [14],-0.377,.,MP,0,0,.,.,.,.,.,.,DFT,mp-1103067
MMD-2102,Zr6Al2Fe,1,9,hexagonal,P-62m [189],-0.314,.,MP,0,0,.,.,.,.,.,.,DFT,mp-11038
MMD-2103,Zr(GaFe)6,2,26,orthorhombic,Immm [71],-0.299,0 (stable),MP,0.84,0.7,.,.,.,.,.,.,DFT,mp-1103910
MMD-2104,Fe(Mo3S4)2,3,45,trigonal,R-3 [148],-0.593,.,MP,0.24,0.15,.,.,.,.,.,.,DFT,mp-1103998
MMD-2105,Fe(Mo3Se4)2,3,45,trigonal,R-3 [148],-0.401,.,MP,0.24,0.14,.,.,.,.,.,.,DFT,mp-1104529
MMD-2106,Y(Fe2Si)2,2,14,tetragonal,P4_2/mnm [136],-0.465,.,MP,0.55,0.47,.,.,.,.,.,.,DFT,mp-1104575
MMD-2107,Sc(Fe2Si)2,2,14,tetragonal,P4_2/mnm [136],-0.493,.,MP,0.56,0.51,.,.,.,.,.,.,DFT,mp-1104929
MMD-2108,Zr(Fe2P)2,2,14,tetragonal,P4_2/mnm [136],-0.712,.,MP,0.75,0.71,.,.,.,.,.,.,DFT,mp-1105063
MMD-2109,Zr3Fe2Si3,4,32,orthorhombic,Cmcm [63],-0.803,.,MP,0,0,.,.,.,.,.,.,DFT,mp-1105799
MMD-2110,Y4Ga12Fe,2,34,cubic,Im-3m [229],-0.532,.,MP,0.06,0.04,.,.,.,.,.,.,DFT,mp-1106026
MMD-2111,Sc(GaFe)6,2,26,orthorhombic,Immm [71],-0.309,0 (stable),MP,0.83,0.69,.,.,.,.,.,.,DFT,mp-11438
MMD-2112,AlFe2Ge,4,16,cubic,Fm-3m [225],-0.205,.,MP,0.07,0.07,a,.,.,.,0.05,.,DFT,mp-1183187
MMD-2113,MnV2Fe,4,16,cubic,Fm-3m [225],-0.199,.,MP,0.14,0.14,.,.,.,.,.,.,DFT,mp-1186011
MMD-2114,Y2Ga2Fe15,3,57,trigonal,R-3m [166],-0.061,.,MP,1.53,1.31,.,.,.,.,.,.,DFT,mp-1188725
MMD-2115,Nb3FeSe6,2,20,hexagonal,P6_322 [182],-0.776,.,MP,0.34,0.2,.,.,.,.,.,.,DFT,mp-1190037
MMD-2116,Al3Fe2Si,16,96,cubic,Fd-3m [227],-0.401,0 (stable),MP,0,0,.,.,.,.,.,.,DFT,mp-1190708
MMD-2117,Y2Fe17C3,3,66,trigonal,R-3m [166],-0.106,0 (stable),MP,1.57,1.49,.,.,.,.,.,.,DFT,mp-1190821
MMD-2118,Nb4Fe4Si7,4,60,tetragonal,I4/mmm [139],-0.619,0 (stable),MP,0.11,0.1,.,.,.,.,.,.,DFT,mp-1192618
MMD-2119,Ti2FeSe4,4,28,trigonal,P-3m1 [164],-0.889,.,MP,0.33,0.2,.,.,.,.,.,.,DFT,mp-1192831
MMD-2120,Zr6Fe16Si7,4,116,cubic,Fm-3m [225],-0.557,0 (stable),MP,0.18,0.16,.,.,.,.,.,.,DFT,mp-1192960
MMD-2121,Zr4Fe2N,16,112,cubic,Fd-3m [227],-0.647,.,MP,0.16,0.11,.,.,.,.,.,.,DFT,mp-1193097
MMD-2122,V3Fe3C,16,112,cubic,Fd-3m [227],-0.259,.,MP,0.08,0.09,.,.,.,.,.,.,DFT,mp-1193313
MMD-2123,Nb4FeSe8,2,26,hexagonal,P6_3/mmc [194],-0.81,0 (stable),MP,0.26,0.15,.,.,.,.,.,.,DFT,mp-1193638
MMD-2124,Nb4FeS8,2,26,hexagonal,P6_3/mmc [194],-1.058,0 (stable),MP,0,0,.,.,.,.,.,.,DFT,mp-1193686
MMD-2125,Zr3Fe3C,16,112,cubic,Fd-3m [227],-0.366,.,MP,0.35,0.28,.,.,.,.,.,.,DFT,mp-1193698
MMD-2126,Zr9FeMo4,2,28,hexagonal,P6_3/mmc [194],-0.096,.,MP,0,0,.,.,.,.,.,.,DFT,mp-1193832
MMD-2127,Nb2FeS4,4,28,orthorhombic,Pnma [62],-0.62,.,MP,0.57,0.39,.,.,.,.,.,.,DFT,mp-1193958
MMD-2128,NbFeSi2,12,48,orthorhombic,Pbam [55],-0.604,0 (stable),MP,0,0,.,.,.,.,.,.,DFT,mp-1196167
MMD-2129,Y2Al3Fe14,2,38,hexagonal,P6_3/mmc [194],-0.13,.,MP,1.49,1.27,.,.,.,.,.,.,DFT,mp-1196730
MMD-2130,Y2Fe3Si5,4,40,tetragonal,P4/mnc [128],-0.701,0 (stable),MP,0,0,.,.,.,.,.,.,DFT,mp-1197725
MMD-2131,ScFeSi2,12,48,orthorhombic,Pbam [55],-0.683,.,MP,0,0,.,.,.,.,.,.,DFT,mp-1199097
MMD-2132,TiFeGe2,12,48,orthorhombic,Pbam [55],-0.422,0 (stable),MP,0.04,0.03,.,.,.,.,.,.,DFT,mp-1199430
MMD-2133,ZrFeSi2,24,96,orthorhombic,Cmce [64],-0.719,.,MP,0.1,0.08,.,.,.,.,.,.,DFT,mp-1199521
MMD-2134,Y2Ga3Fe14,2,38,hexagonal,P6_3/mmc [194],-0.103,.,MP,1.53,1.29,.,.,.,.,.,.,DFT,mp-1200648
MMD-2135,ScFeGe2,12,48,orthorhombic,Pbam [55],-0.535,0 (stable),MP,0.25,0.18,.,.,.,.,.,.,DFT,mp-1201682
MMD-2136,Y2FeSi2,4,20,monoclinic,C2/m [12],-0.722,0 (stable),MP,0,0,.,.,.,.,.,.,DFT,mp-1205522
MMD-2137,CrFeAs,3,9,hexagonal,P-62m [189],-0.083,.,MP,0.69,0.62,.,.,.,.,.,.,DFT,mp-1206083
MMD-2138,CrFe3N,1,5,cubic,Pm-3m [221],0.176,.,MP,1.63,1.72,.,.,.,.,.,.,DFT,mp-1206130
MMD-2139,AlFe3B,1,5,cubic,Pm-3m [221],-0.15,.,MP,0.82,0.86,a,.,.,.,0.01,.,DFT,mp-1206715
MMD-2140,AlFe3N,1,5,cubic,Pm-3m [221],-0.248,.,MP,0,0,.,.,.,.,.,.,DFT,mp-1206767
MMD-2141,TiFe3N,1,5,cubic,Pm-3m [221],-0.269,.,MP,0.33,0.37,.,.,.,.,.,.,DFT,mp-1206985
MMD-2142,ZrFeAs,4,12,orthorhombic,Pnma [62],-0.764,0 (stable),MP,0.08,0.06,.,.,.,.,.,.,DFT,mp-1207418
MMD-2143,Zr6FeS2,4,36,orthorhombic,Pnnm [58],-0.821,.,MP,0,0,.,.,.,.,.,.,DFT,mp-1207526
MMD-2144,YFeB4,4,24,orthorhombic,Pbam [55],-0.62,0 (stable),MP,0,0,.,.,.,.,.,.,DFT,mp-1207634
MMD-2145,Y(FeB)2,2,10,tetragonal,I4/mmm [139],-0.451,0 (stable),MP,0.25,0.24,.,.,.,.,.,.,DFT,mp-12077
MMD-2146,Y(AlFe2)4,2,26,tetragonal,I4/mmm [139],-0.238,.,MP,1.18,1,c,0.54,.,.,.,.,DFT,mp-1207708
MMD-2147,Y2Fe17N3,2,44,hexagonal,P6_3/mmc [194],-0.234,.,MP,1.77,1.67,ab plane,-0.96,.,.,.,.,DFT,mp-1207754
MMD-2148,Y2Fe17C3,2,44,hexagonal,P6_3/mmc [194],-0.107,.,MP,1.58,1.5,.,.,.,.,.,.,DFT,mp-1207759
MMD-2149,Y3Fe2Si3,4,32,orthorhombic,Cmcm [63],-0.679,.,MP,0,0,.,.,.,.,.,.,DFT,mp-1207786
MMD-2150,Y2Cr2Fe15,2,38,hexagonal,P6_3/mmc [194],-0.003,.,MP,1.36,1.19,.,.,.,.,.,.,DFT,mp-1207800
MMD-2151,Y(Fe2Ge)2,2,14,orthorhombic,Pnnm [58],-0.327,.,MP,1.16,0.91,.,.,.,.,.,.,DFT,mp-1207830
MMD-2152,Y(Fe2Ge)2,2,14,tetragonal,P4_2/mnm [136],-0.296,.,MP,1.14,0.89,.,.,.,.,.,.,DFT,mp-1207910
MMD-2153,Y2Fe14C,4,68,tetragonal,P4_2/mnm [136],-0.084,0 (stable),MP,1.75,1.56,.,.,.,.,.,.,DFT,mp-1207957
MMD-2154,Ti4FeSe8,2,26,monoclinic,C2/m [12],-1.019,.,MP,0.2,0.11,.,.,.,.,.,.,DFT,mp-1208241
MMD-2155,Ti6Al16Fe7,4,116,cubic,Fm-3m [225],-0.379,.,MP,0.19,0.15,.,.,.,.,.,.,DFT,mp-1208277
MMD-2156,TiFeGe,12,36,orthorhombic,Ima2 [46],-0.541,0 (stable),MP,0.03,0.03,.,.,.,.,.,.,DFT,mp-1208403
MMD-2157,NbFeSi,4,12,orthorhombic,Pnma [62],-0.616,0 (stable),MP,0.25,0.21,.,.,.,.,.,.,DFT,mp-1209887
MMD-2158,NbFeSe5,2,14,monoclinic,P2_1/m [11],-0.475,.,MP,0.31,0.16,.,.,.,.,.,.,DFT,mp-1209948
MMD-2159,GaFe3N,1,5,cubic,Pm-3m [221],-0.145,.,MP,0.96,1.07,a,.,.,.,0,.,DFT,mp-1212637
MMD-2160,Fe5SiC,8,56,orthorhombic,Cmc2_1 [36],-0.178,.,MP,1.33,1.48,.,.,.,.,.,.,DFT,mp-1212719
MMD-2161,ZrNbFe4,4,24,cubic,F-43m [216],-0.207,.,MP,0.96,0.8,.,.,.,.,.,.,DFT,mp-1215224
MMD-2162,ZrFe4Si,4,24,cubic,F-43m [216],-0.202,.,MP,1.06,0.99,.,.,.,.,.,.,DFT,mp-1215254
MMD-2163,ZrNbFe4,2,12,trigonal,P-3m1 [164],-0.202,.,MP,0.99,0.82,.,.,.,.,.,.,DFT,mp-1215290
MMD-2164,ZrTiFe4,2,12,trigonal,P-3m1 [164],-0.281,.,MP,0.97,0.82,.,.,.,.,.,.,DFT,mp-1215291
MMD-2165,ZrCrFe,8,24,orthorhombic,Amm2 [38],-0.148,.,MP,0.35,0.28,.,.,.,.,.,.,DFT,mp-1215295
MMD-2166,ZrAlFe4,4,24,cubic,F-43m [216],-0.305,.,MP,0.98,0.88,.,.,.,.,.,.,DFT,mp-1215319
MMD-2167,Zr4FeSe8,2,26,monoclinic,C2/m [12],-1.198,.,MP,0.23,0.11,.,.,.,.,.,.,DFT,mp-1215397
MMD-2168,Zn2FeS3,1,6,trigonal,P3m1 [156],-0.583,.,MP,0.66,0.38,c,0.8,.,.,.,.,DFT,mp-1215436
MMD-2169,ZnFeS2,3,12,trigonal,R3m [160],-0.468,.,MP,0.98,0.57,c,1.43,.,.,.,.,DFT,mp-1215469
MMD-2170,Zr2V3Fe,3,18,trigonal,R-3m [166],-0.145,.,MP,0,0,.,.,.,.,.,.,DFT,mp-1215479
MMD-2171,Zn3FeS4,3,24,trigonal,R3m [160],-0.642,.,MP,0.49,0.29,.,.,.,.,.,.,DFT,mp-1215502
MMD-2172,Zn4FeS5,3,30,trigonal,R3m [160],-0.677,.,MP,0.4,0.23,.,.,.,.,.,.,DFT,mp-1215515
MMD-2173,Zn2FeS3,2,12,orthorhombic,Imm2 [44],-0.587,.,MP,0.67,0.39,.,.,.,.,.,.,DFT,mp-1215530
MMD-2174,Zn4FeSe5,3,30,trigonal,R3m [160],-0.556,.,MP,0.39,0.2,.,.,.,.,.,.,DFT,mp-1215532
MMD-2175,Zr2AlFe3,3,18,trigonal,R-3m [166],-0.387,.,MP,0.61,0.47,.,.,.,.,.,.,DFT,mp-1215552
MMD-2176,Zr2AlFe3,2,12,hexagonal,P6_3/mmc [194],-0.403,0 (stable),MP,0.58,0.45,.,.,.,.,.,.,DFT,mp-1215595
MMD-2177,Zn2FeS3,6,36,trigonal,R3 [146],-0.585,.,MP,0.67,0.39,.,.,.,.,.,.,DFT,mp-1215640
MMD-2178,Zr2CrFe3,2,12,hexagonal,P6_3/mmc [194],-0.205,.,MP,0.57,0.46,.,.,.,.,.,.,DFT,mp-1215662
MMD-2179,Zr2CrFe3,4,24,orthorhombic,Amm2 [38],-0.213,.,MP,0.69,0.54,.,.,.,.,.,.,DFT,mp-1215712
MMD-2180,Zr3AlFe8,3,36,trigonal,R3m [160],-0.307,0 (stable),MP,1.04,0.86,.,.,.,.,.,.,DFT,mp-1215720
MMD-2181,Zr(AlFe)6,2,26,orthorhombic,Immm [71],-0.406,0 (stable),MP,0.77,0.66,.,.,.,.,.,.,DFT,mp-1215723
MMD-2182,Zr3Fe8Si,3,36,trigonal,R3m [160],-0.265,.,MP,1.1,0.92,.,.,.,.,.,.,DFT,mp-1215750
MMD-2183,Zr2Cr3Fe,4,24,orthorhombic,Amm2 [38],-0.087,.,MP,0.14,0.11,.,.,.,.,.,.,DFT,mp-1215757
MMD-2184,Zr3(V2Fe)2,2,18,triclinic,P-1 [2],-0.168,.,MP,0.05,0.03,.,.,.,.,.,.,DFT,mp-1215874
MMD-2185,YAlFe,4,12,orthorhombic,Imma [74],-0.305,.,MP,0.55,0.35,.,.,.,.,.,.,DFT,mp-1215937
MMD-2186,YScFe4,4,24,cubic,F-43m [216],-0.166,.,MP,0.98,0.76,.,.,.,.,.,.,DFT,mp-1215942
MMD-2187,YFeCu,4,12,orthorhombic,Imma [74],-0.053,.,MP,0.43,0.31,.,.,.,.,.,.,DFT,mp-1215980
MMD-2188,Y2AlFe3,3,18,trigonal,R-3m [166],-0.18,.,MP,0.68,0.47,.,.,.,.,.,.,DFT,mp-1216110
MMD-2189,Y2Al3Fe,3,18,trigonal,R-3m [166],-0.415,.,MP,0.32,0.2,.,.,.,.,.,.,DFT,mp-1216123
MMD-2190,Y2Fe4Si9,1,15,trigonal,P-3m1 [164],-0.345,.,MP,0,0,.,.,.,.,.,.,DFT,mp-1216145
MMD-2191,Y2Fe17C2,2,42,monoclinic,C2/m [12],-0.082,.,MP,1.72,1.57,.,.,.,.,.,.,DFT,mp-1216161
MMD-2192,Y4FeS7,2,24,monoclinic,Cm [8],-1.741,.,MP,0.33,0.18,.,.,.,.,.,.,DFT,mp-1216175
MMD-2193,Y(Fe5Si)2,2,26,orthorhombic,Immm [71],-0.252,.,MP,1.56,1.43,.,.,.,.,.,.,DFT,mp-1216179
MMD-2194,Y4Fe34C3,1,41,triclinic,P-1 [2],-0.066,.,MP,1.79,1.61,.,.,.,.,.,.,DFT,mp-1216228
MMD-2195,Y2Fe17C,2,40,monoclinic,C2/m [12],-0.051,.,MP,1.87,1.66,.,.,.,.,.,.,DFT,mp-1216258
MMD-2196,VFe3Si4,3,24,trigonal,R3 [146],-0.451,.,MP,0,0,.,.,.,.,.,.,DFT,mp-1216327
MMD-2197,VCrFe2,2,8,orthorhombic,Cmm2 [35],-0.036,.,MP,0.91,0.9,.,.,.,.,.,.,DFT,mp-1216349
MMD-2198,Y2Fe17C,4,80,orthorhombic,Amm2 [38],-0.051,.,MP,1.88,1.66,.,.,.,.,.,.,DFT,mp-1216410
MMD-2199,V5Fe5Si6,2,32,orthorhombic,Amm2 [38],-0.475,.,MP,0.42,0.4,.,.,.,.,.,.,DFT,mp-1216470
MMD-2200,Y4Fe29Si5,1,38,triclinic,P-1 [2],-0.125,.,MP,1.49,1.3,.,.,.,.,.,.,DFT,mp-1216484
MMD-2201,V3FeS6,3,30,trigonal,R-3 [148],-0.834,.,MP,0.01,0.01,.,.,.,.,.,.,DFT,mp-1216499
MMD-2202,V9Ga4Fe3,1,16,monoclinic,Pm [6],-0.216,0 (stable),MP,0,0,.,.,.,.,.,.,DFT,mp-1216513
MMD-2203,V2Cr2Fe,4,20,orthorhombic,Fmm2 [42],-0.028,.,MP,0.3,0.28,.,.,.,.,.,.,DFT,mp-1216576
MMD-2204,V2FeSi,4,16,orthorhombic,Ama2 [40],-0.475,0 (stable),MP,0,0,.,.,.,.,.,.,DFT,mp-1216581
MMD-2205,V2FeSe4,2,14,monoclinic,Cm [8],-0.552,.,MP,0.7,0.45,.,.,.,.,.,.,DFT,mp-1216659
MMD-2206,V(FeS2)2,2,14,monoclinic,Cm [8],-0.63,.,MP,0.19,0.16,.,.,.,.,.,.,DFT,mp-1216724
MMD-2207,V2GaFe,2,8,orthorhombic,Cmm2 [35],-0.083,.,MP,0.41,0.37,.,.,.,.,.,.,DFT,mp-1216782
MMD-2208,V(FeSe2)2,2,14,monoclinic,Cm [8],-0.403,.,MP,0.59,0.4,.,.,.,.,.,.,DFT,mp-1216826
MMD-2209,TiNbFe4,2,12,trigonal,P-3m1 [164],-0.214,.,MP,0.66,0.6,.,.,.,.,.,.,DFT,mp-1216848
MMD-2210,V11FeB8,1,20,monoclinic,P2/m [10],-0.705,.,MP,0.07,0.09,.,.,.,.,.,.,DFT,mp-1216907
MMD-2211,V2FeGe,4,16,orthorhombic,Ama2 [40],-0.296,0 (stable),MP,0,0,.,.,.,.,.,.,DFT,mp-1216977
MMD-2212,Ti2FeCu,1,4,tetragonal,P4/mmm [123],-0.222,.,MP,0,0,.,.,.,.,.,.,DFT,mp-1217096
MMD-2213,Ti4Fe2P3,2,18,orthorhombic,Amm2 [38],-1.029,.,MP,0,0,.,.,.,.,.,.,DFT,mp-1217126
MMD-2214,Ti3FeS6,3,30,trigonal,R-3 [148],-1.209,.,MP,0,0,.,.,.,.,.,.,DFT,mp-1217178
MMD-2215,Ti3Fe5P4,1,12,monoclinic,Pm [6],-0.917,0 (stable),MP,0,0,.,.,.,.,.,.,DFT,mp-1217193
MMD-2216,Ti(FeSe2)2,2,14,monoclinic,Cm [8],-0.558,.,MP,0.56,0.37,.,.,.,.,.,.,DFT,mp-1217350
MMD-2217,Sc4FeSi7,1,12,orthorhombic,Pmm2 [25],-0.453,.,MP,0.09,0.06,.,.,.,.,.,.,DFT,mp-1219407
MMD-2218,Sc2Fe3Si,4,24,orthorhombic,Amm2 [38],-0.445,.,MP,0.59,0.48,.,.,.,.,.,.,DFT,mp-1219437
MMD-2219,Sc(AlFe)6,2,26,orthorhombic,Immm [71],-0.402,0 (stable),MP,0.75,0.64,.,.,.,.,.,.,DFT,mp-1219472
MMD-2220,Sc(Fe5Si)2,2,26,orthorhombic,Immm [71],-0.256,.,MP,1.54,1.46,.,.,.,.,.,.,DFT,mp-1219497
MMD-2221,Sc3(Ga4Fe5)4,2,78,monoclinic,Cm [8],-0.264,.,MP,0.96,0.8,.,.,.,.,.,.,DFT,mp-1219537
MMD-2222,Sc(TiFe3)2,4,36,trigonal,P3m1 [156],-0.281,.,MP,0.93,0.81,.,.,.,.,.,.,DFT,mp-1220247
MMD-2223,NbAlFe4,2,12,trigonal,P-3m1 [164],-0.181,.,MP,0.89,0.81,.,.,.,.,.,.,DFT,mp-1220454
MMD-2224,Nb4Fe3Si5,2,24,orthorhombic,Amm2 [38],-0.571,.,MP,0.24,0.21,.,.,.,.,.,.,DFT,mp-1220469
MMD-2225,NbFe4Si,2,12,trigonal,P-3m1 [164],-0.085,.,MP,0.89,0.83,.,.,.,.,.,.,DFT,mp-1220510
MMD-2226,Nb4FeS8,2,26,monoclinic,C2/m [12],-1.035,.,MP,0,0,.,.,.,.,.,.,DFT,mp-1220569
MMD-2227,Nb3AlFe8,1,12,trigonal,P3m1 [156],-0.19,.,MP,0.75,0.68,.,.,.,.,.,.,DFT,mp-1220667
MMD-2228,Nb3FeSe10,1,14,monoclinic,Pm [6],-0.632,.,MP,0,0,.,.,.,.,.,.,DFT,mp-1220711
MMD-2229,Nb2FeS4,1,7,trigonal,P-3m1 [164],-0.907,.,MP,0,0,.,.,.,.,.,.,DFT,mp-1220734
MMD-2230,Nb3Fe8Si,1,12,trigonal,P3m1 [156],-0.15,.,MP,0.82,0.75,.,.,.,.,.,.,DFT,mp-1220756
MMD-2231,Fe2CuS3,1,6,trigonal,P3m1 [156],-0.235,.,MP,1.05,0.68,c,0.41,.,.,.,.,DFT,mp-1224687
MMD-2232,Fe2AsP,2,8,orthorhombic,Pmc2_1 [26],-0.355,.,MP,0.23,0.22,a,-0.15,0.45,0.6,.,.,DFT,mp-1224707
MMD-2233,Fe23(BC)3,3,87,trigonal,R3m [160],-0.079,.,MP,1.65,1.91,.,.,.,.,.,.,DFT,mp-1224758
MMD-2234,FeSiMo,8,24,orthorhombic,Amm2 [38],-0.31,.,MP,0.29,0.27,.,.,.,.,.,.,DFT,mp-1224897
MMD-2235,FeSiMo,8,24,orthorhombic,Amm2 [38],-0.327,.,MP,0.24,0.22,.,.,.,.,.,.,DFT,mp-1224916
MMD-2236,GaFe7N2,4,40,cubic,Fm-3m [225],-0.062,.,MP,1.11,1.27,<111>,.,.,.,0,.,DFT,mp-1224930
MMD-2237,Ga2Fe6C,1,9,tetragonal,P4/mmm [123],-0.099,.,MP,1.14,1.18,ab plane,-0.11,.,.,.,.,DFT,mp-1224932
MMD-2238,FeCuS2,1,4,tetragonal,P-4m2 [115],-0.121,.,MP,0.65,0.43,.,.,.,.,.,.,DFT,mp-1224949
MMD-2239,FeCu3S8,3,36,trigonal,R-3 [148],-0.197,.,MP,0,0,.,.,.,.,.,.,DFT,mp-1224980
MMD-2240,Fe2CuS3,4,24,triclinic,P1 [1],-0.262,.,MP,0.24,0.2,.,.,.,.,.,.,DFT,mp-1225005
MMD-2241,FeMo3As4,1,8,monoclinic,Pm [6],-0.182,.,MP,0.37,0.27,.,.,.,.,.,.,DFT,mp-1225013
MMD-2242,Fe3Mo5N8,2,32,monoclinic,C2/m [12],-0.271,.,MP,0.49,0.59,.,.,.,.,.,.,DFT,mp-1225023
MMD-2243,Fe6BC,2,16,orthorhombic,Pmc2_1 [26],-0.091,.,MP,1.46,1.76,c,0.17,0.4,0.23,.,.,DFT,mp-1225026
MMD-2244,Fe6Ge2N,1,9,tetragonal,P4/mmm [123],-0.046,.,MP,0.99,1.03,.,.,.,.,.,.,DFT,mp-1225101
MMD-2245,Fe3CuAs2,1,6,tetragonal,P-4m2 [115],0.062,.,MP,1.11,0.97,c,0.46,.,.,.,.,DFT,mp-1225133
MMD-2246,Fe2SeS,1,4,hexagonal,P-6m2 [187],-0.113,.,MP,0.96,0.78,c,1.5,.,.,.,.,DFT,mp-1225163
MMD-2247,Fe12Ge3As2,3,51,trigonal,R32 [155],-0.048,.,MP,1.49,1.36,.,.,.,.,.,.,DFT,mp-1225179
MMD-2248,Fe3(Se2S)2,2,18,monoclinic,Pm [6],-0.384,.,MP,0,0,.,.,.,.,.,.,DFT,mp-1225204
MMD-2249,GaFe19N5,1,25,tetragonal,P4/m [83],-0.055,.,MP,1.71,1.88,ab plane,-0.28,.,.,.,.,DFT,mp-1225232
MMD-2250,Fe9BP2,4,48,triclinic,P1 [1],-0.298,.,MP,1.45,1.58,.,.,.,.,.,.,DFT,mp-1225248
MMD-2251,Fe4Mo2N,8,56,tetragonal,I-4m2 [119],-0.075,.,MP,0.91,0.92,.,.,.,.,.,.,DFT,mp-1225260
MMD-2252,Fe(Mo3Se4)2,1,15,triclinic,P1 [1],-0.474,.,MP,0.26,0.14,.,.,.,.,.,.,DFT,mp-1225290
MMD-2253,Cr(FeAs3)2,2,18,monoclinic,P2/m [10],-0.192,.,MP,0.22,0.16,.,.,.,.,.,.,DFT,mp-1226104
MMD-2254,CrFe3As2,1,6,tetragonal,P-4m2 [115],-0.022,.,MP,1.39,1.19,.,.,.,.,.,.,DFT,mp-1226210
MMD-2255,CrFe3B2,4,24,orthorhombic,Fmm2 [42],-0.294,.,MP,0.75,0.96,.,.,.,.,.,.,DFT,mp-1226213
MMD-2256,CrGaFe2,2,8,orthorhombic,Cmm2 [35],0.078,.,MP,1.05,0.99,.,.,.,.,.,.,DFT,mp-1226220
MMD-2257,CrFeAs4,1,6,monoclinic,P2/m [10],-0.168,.,MP,0.33,0.24,.,.,.,.,.,.,DFT,mp-1226236
MMD-2258,CrFeS2,1,4,trigonal,P-3m1 [164],-0.37,.,MP,0.23,0.21,.,.,.,.,.,.,DFT,mp-1226240
MMD-2259,CrFeP2,2,8,orthorhombic,Pmc2_1 [26],-0.562,.,MP,0.49,0.48,.,.,.,.,.,.,DFT,mp-1226245
MMD-2260,CrFeSi2,2,8,monoclinic,P2_1 [4],-0.387,.,MP,0.29,0.3,.,.,.,.,.,.,DFT,mp-1226256
MMD-2261,CrFeAs2,2,8,orthorhombic,Pmn2_1 [31],-0.187,0 (stable),MP,0.77,0.62,.,.,.,.,.,.,DFT,mp-1226258
MMD-2262,CrFeB2,2,8,orthorhombic,Pmc2_1 [26],-0.424,.,MP,0.52,0.73,.,.,.,.,.,.,DFT,mp-1226310
MMD-2263,CrFeS4,4,24,orthorhombic,Imma [74],-0.24,.,MP,0.48,0.3,.,.,.,.,.,.,DFT,mp-1226336
MMD-2264,Cr9FeB6,2,32,tetragonal,I4/m [87],-0.42,.,MP,0.07,0.08,.,.,.,.,.,.,DFT,mp-1226337
MMD-2265,CrFeGe2,2,8,monoclinic,P2_1 [4],-0.03,.,MP,0.51,0.45,.,.,.,.,.,.,DFT,mp-1226385
MMD-2266,Fe46(BC3)3,1,58,triclinic,P1 [1],-0.03,.,MP,1.64,1.91,.,.,.,.,.,.,DFT,mp-1226402
MMD-2267,Cr12Fe3S20,1,35,triclinic,P-1 [2],-0.604,.,MP,0.57,0.46,.,.,.,.,.,.,DFT,mp-1226707
MMD-2268,Cr23Ga26Fe3,1,52,triclinic,P1 [1],-0.001,.,MP,0.17,0.14,.,.,.,.,.,.,DFT,mp-1227222
MMD-2269,Al3FeSi2,4,24,tetragonal,I4cm [108],-0.234,.,MP,0,0,.,.,.,.,.,.,DFT,mp-1228467
MMD-2270,Al37(Fe6Cu)2,2,102,monoclinic,Cm [8],-0.326,0 (stable),MP,0,0,.,.,.,.,.,.,DFT,mp-1228719
MMD-2271,AlVFe2,4,16,cubic,F-43m [216],-0.144,.,MP,0.88,0.82,a,.,.,.,0.07,.,DFT,mp-1228804
MMD-2272,AlVFe2,1,4,tetragonal,P4/mmm [123],-0.386,.,MP,0,0,.,.,.,.,.,.,DFT,mp-1228816
MMD-2273,AlCrFe2,1,4,tetragonal,P4/mmm [123],-0.168,.,MP,0.24,0.25,.,.,.,.,.,.,DFT,mp-1228906
MMD-2274,Al53Fe17Si12,1,82,triclinic,P-1 [2],-0.311,0 (stable),MP,0,0,.,.,.,.,.,.,DFT,mp-1229054
MMD-2275,Al79(Fe13Si9)2,1,123,triclinic,P-1 [2],-0.315,0 (stable),MP,0,0,.,.,.,.,.,.,DFT,mp-1229249
MMD-2276,Fe7GeN6,4,56,orthorhombic,Pbcn [60],0.182,.,MP,0.12,0.15,.,.,.,.,.,.,DFT,mp-1245330
MMD-2277,Ga2FeN3,4,24,orthorhombic,Cmc2_1 [36],-0.083,.,MP,0.8,0.79,b,0.65,-1,-1.64,.,.,DFT,mp-1245395
MMD-2278,YFeN2,16,64,orthorhombic,Pbca [61],-0.633,.,MP,0.01,0,.,.,.,.,.,.,DFT,mp-1245408
MMD-2279,Al2FeN3,4,24,orthorhombic,Cmc2_1 [36],-0.742,.,MP,0.83,0.87,b,0.59,-0.05,-0.64,.,.,DFT,mp-1245423
MMD-2280,Fe4Se3N2,4,36,orthorhombic,Pnma [62],-0.016,.,MP,0.24,0.21,.,.,.,.,.,.,DFT,mp-1245425
MMD-2281,GaFeN2,16,64,orthorhombic,Pbca [61],0.084,.,MP,0.41,0.41,.,.,.,.,.,.,DFT,mp-1245433
MMD-2282,GaFe2N3,4,24,orthorhombic,Cmc2_1 [36],0.063,.,MP,0,0,.,.,.,.,.,.,DFT,mp-1245459
MMD-2283,CrFe2N3,8,48,monoclinic,C2/c [15],0.03,.,MP,0.2,0.26,.,.,.,.,.,.,DFT,mp-1245478
MMD-2284,CrFe2N3,4,24,orthorhombic,Cmc2_1 [36],-0.157,.,MP,0.16,0.2,.,.,.,.,.,.,DFT,mp-1245504
MMD-2285,Cr2Fe9N8,2,38,monoclinic,C2/m [12],0.099,.,MP,0.39,0.48,.,.,.,.,.,.,DFT,mp-1245508
MMD-2286,FeC2N3,8,48,monoclinic,C2/c [15],0.394,.,MP,0.67,0.71,.,.,.,.,.,.,DFT,mp-1245528
MMD-2287,FeSiN2,4,16,monoclinic,P2_1/c [14],-0.208,.,MP,0.45,0.55,.,.,.,.,.,.,DFT,mp-1245541
MMD-2288,TiFeN2,4,16,orthorhombic,Pnma [62],-0.773,.,MP,0.34,0.39,.,.,.,.,.,.,DFT,mp-1245552
MMD-2289,Fe5(GeN3)2,4,52,monoclinic,C2/c [15],0.211,.,MP,0,0,.,.,.,.,.,.,DFT,mp-1245621
MMD-2290,AlFeN2,4,16,tetragonal,I-42d [122],-0.448,.,MP,0,0,.,.,.,.,.,.,DFT,mp-1245631
MMD-2291,AlFeN2,4,16,orthorhombic,Pna2_1 [33],-0.419,.,MP,0.01,0.01,.,.,.,.,.,.,DFT,mp-1245637
MMD-2292,FeGe7N10,2,36,monoclinic,Pc [7],0.197,.,MP,0.22,0.18,.,.,.,.,.,.,DFT,mp-1245701
MMD-2293,Fe2(CN2)3,3,33,trigonal,R32 [155],0.383,.,MP,0.16,0.18,.,.,.,.,.,.,DFT,mp-1245833
MMD-2294,CrFeN2,16,64,orthorhombic,Pbca [61],-0.065,.,MP,0.02,0.02,.,.,.,.,.,.,DFT,mp-1245864
MMD-2295,Zr(FeN)4,2,18,triclinic,P-1 [2],-0.198,.,MP,0.45,0.51,.,.,.,.,.,.,DFT,mp-1245884
MMD-2296,Fe2(CN2)3,6,66,trigonal,R-3c [167],0.208,.,MP,0.18,0.21,.,.,.,.,.,.,DFT,mp-1245918
MMD-2297,V(FeN)4,2,18,triclinic,P-1 [2],-0.1,.,MP,0.65,0.81,.,.,.,.,.,.,DFT,mp-1245944
MMD-2298,Fe3SiN4,2,16,orthorhombic,Pmn2_1 [31],-0.065,.,MP,0.22,0.23,.,.,.,.,.,.,DFT,mp-1245976
MMD-2299,Fe(C2N3)3,4,64,orthorhombic,Cmcm [63],0.394,.,MP,0.31,0.2,.,.,.,.,.,.,DFT,mp-1246055
MMD-2300,Fe4CN4,4,36,orthorhombic,Pnma [62],0.204,.,MP,0.56,0.76,.,.,.,.,.,.,DFT,mp-1246069
MMD-2301,Y2FeN3,8,48,monoclinic,C2/c [15],-1.077,.,MP,0.15,0.14,.,.,.,.,.,.,DFT,mp-1246079
MMD-2302,Cr2Fe3N4,4,36,monoclinic,C2/c [15],-0.063,.,MP,0.38,0.47,.,.,.,.,.,.,DFT,mp-1246113
MMD-2303,Fe10CuN8,2,38,monoclinic,C2/m [12],0.193,.,MP,0.65,0.79,.,.,.,.,.,.,DFT,mp-1246140
MMD-2304,Zr(FeN)2,1,5,trigonal,P-3m1 [164],-0.546,.,MP,0,0,.,.,.,.,.,.,DFT,mp-1246166
MMD-2305,Zn3(FeN2)2,4,36,monoclinic,C2/c [15],0.305,.,MP,0,0,.,.,.,.,.,.,DFT,mp-1246188
MMD-2306,VFeN2,2,8,hexagonal,P6_3/mmc [194],-0.364,.,MP,0.7,0.95,.,.,.,.,.,.,DFT,mp-1246237
MMD-2307,GaFeN2,4,16,tetragonal,I-42d [122],0.046,.,MP,0.08,0.09,.,.,.,.,.,.,DFT,mp-1246352
MMD-2308,CrFeN2,2,8,hexagonal,P6_3/mmc [194],-0.073,.,MP,0.54,0.76,.,.,.,.,.,.,DFT,mp-1246373
MMD-2309,FeSi2N3,4,24,orthorhombic,Cmc2_1 [36],-0.549,.,MP,0.5,0.58,a,-0.96,0.14,1.1,.,.,DFT,mp-1246402
MMD-2310,GaFeN2,4,16,orthorhombic,Pna2_1 [33],0.064,.,MP,0,0,.,.,.,.,.,.,DFT,mp-1246475
MMD-2311,FeGeN2,16,64,orthorhombic,Pbca [61],0.218,.,MP,0.5,0.52,.,.,.,.,.,.,DFT,mp-1246529
MMD-2312,AlFeN2,16,64,orthorhombic,Pbca [61],-0.405,.,MP,0.42,0.45,.,.,.,.,.,.,DFT,mp-1246607
MMD-2313,TiFeN2,2,8,hexagonal,P6_3/mmc [194],-0.611,.,MP,0.04,0.05,.,.,.,.,.,.,DFT,mp-1246645
MMD-2314,Cr(FeN)3,2,14,hexagonal,P6_3/mmc [194],-0.036,.,MP,0.89,0.98,.,.,.,.,.,.,DFT,mp-1246664
MMD-2315,Zn8Fe3N8,2,38,monoclinic,C2/m [12],0.204,.,MP,0.5,0.41,.,.,.,.,.,.,DFT,mp-1246727
MMD-2316,FeSiN2,16,64,orthorhombic,Pbca [61],-0.419,.,MP,1,1.09,.,.,.,.,.,.,DFT,mp-1246734
MMD-2317,FeSi7N10,2,36,monoclinic,Pc [7],-0.804,.,MP,0.22,0.21,.,.,.,.,.,.,DFT,mp-1246746
MMD-2318,Fe2CuN2,1,5,trigonal,P-3m1 [164],0.103,.,MP,0,0,.,.,.,.,.,.,DFT,mp-1246758
MMD-2319,Fe3SiN4,4,32,orthorhombic,Pnma [62],-0.142,.,MP,0,0,.,.,.,.,.,.,DFT,mp-1246800
MMD-2320,Cr8Fe3N8,2,38,monoclinic,C2/m [12],-0.186,.,MP,0.39,0.48,.,.,.,.,.,.,DFT,mp-1246813
MMD-2321,ZrFeN2,4,16,orthorhombic,Pnma [62],-0.766,.,MP,0.79,0.74,.,.,.,.,.,.,DFT,mp-1246849
MMD-2322,AlFe2N3,4,24,orthorhombic,Cmc2_1 [36],-0.265,.,MP,0,0,.,.,.,.,.,.,DFT,mp-1246890
MMD-2323,VFe2N3,4,24,orthorhombic,Cmc2_1 [36],-0.272,.,MP,0,0,.,.,.,.,.,.,DFT,mp-1246955
MMD-2324,FeGeN2,4,16,monoclinic,P2_1/c [14],0.189,.,MP,1,0.95,a,-0.23,-0.05,0.18,.,.,DFT,mp-1246992
MMD-2325,V8Fe3N8,2,38,monoclinic,C2/m [12],-0.709,.,MP,0.02,0.02,.,.,.,.,.,.,DFT,mp-1247009
MMD-2326,Zn3FeN3,2,14,hexagonal,P6_3/m [176],0.181,.,MP,0.5,0.4,.,.,.,.,.,.,DFT,mp-1247011
MMD-2327,Fe4Se3N2,2,18,orthorhombic,Pnnm [58],0.129,.,MP,0.16,0.14,.,.,.,.,.,.,DFT,mp-1247160
MMD-2328,Y2Fe3N4,4,36,monoclinic,C2/c [15],-0.629,.,MP,0.13,0.12,.,.,.,.,.,.,DFT,mp-1247169
MMD-2329,Fe4Se3N2,2,18,monoclinic,C2/m [12],-0.013,.,MP,0.08,0.07,.,.,.,.,.,.,DFT,mp-1247463
MMD-2330,Zn5FeN4,2,20,orthorhombic,Pmmn [59],0.268,.,MP,0,0,.,.,.,.,.,.,DFT,mp-1247479
MMD-2331,Fe2CuN2,2,10,tetragonal,I4/mmm [139],0.129,.,MP,0,0,.,.,.,.,.,.,DFT,mp-1247500
MMD-2332,Al(FeS2)2,4,28,orthorhombic,Imma [74],-0.492,.,MP,0.71,0.5,c,3.77,1.19,-2.58,.,.,DFT,mp-1252156
MMD-2333,Y3FeB7,4,44,orthorhombic,Cmcm [63],-0.608,0 (stable),MP,0,0,.,.,.,.,.,.,DFT,mp-14542
MMD-2334,Fe2B4Mo,2,14,orthorhombic,Immm [71],-0.403,.,MP,0.2,0.28,.,.,.,.,.,.,DFT,mp-15722
MMD-2335,Ti3FeS6,2,20,trigonal,P-31c [163],-1.143,.,MP,0.31,0.2,.,.,.,.,.,.,DFT,mp-16335
MMD-2336,Zr2Fe3Si,2,12,hexagonal,P6_3/mmc [194],-0.55,0 (stable),MP,0.66,0.53,.,.,.,.,.,.,DFT,mp-16336
MMD-2337,AlCrFe2,4,16,cubic,Fm-3m [225],-0.159,.,MP,0.04,0.04,.,.,.,.,.,.,DFT,mp-16495
MMD-2338,Y(Al5Fe)2,4,52,orthorhombic,Cmcm [63],-0.359,0 (stable),MP,0,0,.,.,.,.,.,.,DFT,mp-16744
MMD-2339,Zr4Fe4Si7,4,60,tetragonal,I4/mmm [139],-0.76,0 (stable),MP,0.22,0.18,.,.,.,.,.,.,DFT,mp-17435
MMD-2340,Sc(FeGe)6,1,13,hexagonal,P6/mmm [191],-0.277,0 (stable),MP,0.82,0.69,c,1.3,.,.,.,.,DFT,mp-19739
MMD-2341,Zr(Fe2Si)2,2,14,tetragonal,P4_2/mnm [136],-0.513,.,MP,0.52,0.48,.,.,.,.,.,.,DFT,mp-19792
MMD-2342,Nb(FeGe)6,1,13,hexagonal,P6/mmm [191],-0.163,.,MP,0.91,0.78,c,1.04,.,.,.,.,DFT,mp-19887
MMD-2343,Sc2FeS4,8,56,cubic,Fd-3m [227],-1.423,.,MP,0.57,0.32,.,.,.,.,.,.,DFT,mp-20499
MMD-2344,Ga2FeS4,1,7,trigonal,P-3m1 [164],-0.519,.,MP,0.57,0.32,ab plane,-5.95,.,.,.,.,DFT,mp-20793
MMD-2345,ZrFeP,4,12,orthorhombic,Pnma [62],-1.078,0 (stable),MP,0,0,.,.,.,.,.,.,DFT,mp-20892
MMD-2346,Cr2FeS4,8,56,cubic,Fd-3m [227],-0.585,.,MP,1.4,0.91,.,.,.,.,.,.,DFT,mp-21019
MMD-2347,Zr2Fe3Ge,2,12,hexagonal,P6_3/mmc [194],-0.465,0 (stable),MP,0.68,0.53,.,.,.,.,.,.,DFT,mp-21040
MMD-2348,Fe2GeS4,4,28,orthorhombic,Pnma [62],-0.295,.,MP,0,0,.,.,.,.,.,.,DFT,mp-21086
MMD-2349,Y(FeGe)2,2,10,tetragonal,I4/mmm [139],-0.464,0 (stable),MP,0.31,0.22,.,.,.,.,.,.,DFT,mp-21113
MMD-2350,Fe2CuGe2,2,10,orthorhombic,Pmma [51],-0.078,.,MP,0.55,0.48,.,.,.,.,.,.,DFT,mp-21141
MMD-2351,CrFeP,4,12,orthorhombic,Pnma [62],-0.563,0 (stable),MP,0.32,0.33,.,.,.,.,.,.,DFT,mp-21495
MMD-2352,Sc2Fe3Si5,4,40,tetragonal,P4/mnc [128],-0.692,0 (stable),MP,0,0,.,.,.,.,.,.,DFT,mp-21588
MMD-2353,TiFeSi2,12,48,orthorhombic,Pbam [55],-0.684,0 (stable),MP,0,0,.,.,.,.,.,.,DFT,mp-21662
MMD-2354,Nb3(Fe10B3)2,4,116,cubic,Fm-3m [225],-0.274,.,MP,1.16,1.28,.,.,.,.,.,.,DFT,mp-21666
MMD-2355,VGaFe2,4,16,cubic,Fm-3m [225],-0.287,0 (stable),MP,0,0,.,.,.,.,.,.,DFT,mp-21883
MMD-2356,Ti(FeGe)6,1,13,hexagonal,P6/mmm [191],-0.208,.,MP,0.85,0.73,c,0.99,.,.,.,.,DFT,mp-22130
MMD-2357,Nb4FeSi,2,12,tetragonal,P4/mcc [124],-0.309,.,MP,0,0,.,.,.,.,.,.,DFT,mp-22312
MMD-2358,Nb3FeS6,2,20,hexagonal,P6_322 [182],-1.03,.,MP,0.35,0.23,.,.,.,.,.,.,DFT,mp-22613
MMD-2359,ScFeSi,4,12,orthorhombic,Pnma [62],-0.689,0 (stable),MP,0.01,0.01,.,.,.,.,.,.,DFT,mp-22701
MMD-2360,AlFe3C,1,5,cubic,Pm-3m [221],-0.191,0 (stable),MP,0.62,0.68,<111>,.,.,.,-0.01,.,DFT,mp-22793
MMD-2361,FeMo3S4,2,16,triclinic,P-1 [2],-0.565,.,MP,0.47,0.32,.,.,.,.,.,.,DFT,mp-27380
MMD-2362,Fe2MoP12,4,60,orthorhombic,Pbcn [60],-0.38,0 (stable),MP,0,0,.,.,.,.,.,.,DFT,mp-28104
MMD-2363,Y3(Fe31B7)2,2,158,cubic,Im-3m [229],0.077,.,MP,1.77,1.83,.,.,.,.,.,.,DFT,mp-28618
MMD-2364,Al3Fe2Si3,8,64,monoclinic,P2_1/c [14],-0.354,.,MP,0,0,.,.,.,.,.,.,DFT,mp-29066
MMD-2365,Al2(FeSi)3,2,16,triclinic,P-1 [2],-0.48,0 (stable),MP,0,0,.,.,.,.,.,.,DFT,mp-29110
MMD-2366,Al2Fe3Si4,4,36,orthorhombic,Cmcm [63],-0.431,.,MP,0,0,.,.,.,.,.,.,DFT,mp-29111
MMD-2367,FePSe3,6,30,trigonal,R-3 [148],-0.111,.,MP,0.78,0.36,.,.,.,.,.,.,DFT,mp-2928
MMD-2368,Ti4FeS8,2,26,monoclinic,C2/m [12],-1.23,.,MP,0,0,.,.,.,.,.,.,DFT,mp-30075
MMD-2369,ScFeSi2,24,96,orthorhombic,Cmce [64],-0.681,.,MP,0.16,0.13,.,.,.,.,.,.,DFT,mp-30076
MMD-2370,CrGaFe2,4,16,cubic,Fm-3m [225],0.002,.,MP,0.07,0.07,.,.,.,.,.,.,DFT,mp-30570
MMD-2371,TiAlFe2,4,16,cubic,Fm-3m [225],-0.458,0 (stable),MP,0.23,0.22,.,.,.,.,.,.,DFT,mp-31187
MMD-2372,Sc3FeC4,2,16,orthorhombic,Immm [71],-0.512,0 (stable),MP,0.07,0.07,.,.,.,.,.,.,DFT,mp-3155
MMD-2373,FeCuS2,4,16,tetragonal,I-42d [122],-0.28,.,MP,0.82,0.54,.,.,.,.,.,.,DFT,mp-3497
MMD-2374,Sc2FeSi2,4,20,monoclinic,C2/m [12],-0.779,0 (stable),MP,0,0,.,.,.,.,.,.,DFT,mp-3618
MMD-2375,Sc(Al2Fe)4,2,26,tetragonal,I4/mmm [139],-0.428,0 (stable),MP,0.41,0.33,ab plane,-0.66,.,.,.,.,DFT,mp-3701
MMD-2376,Al(FeB)2,2,10,orthorhombic,Cmmm [65],-0.403,0 (stable),MP,0.53,0.67,a,-1.12,-1,0.12,.,.,DFT,mp-3805
MMD-2377,VFe2Si,4,16,cubic,Fm-3m [225],-0.483,0 (stable),MP,0.2,0.21,.,.,.,.,.,.,DFT,mp-4595
MMD-2378,Y(Al2Fe)4,2,26,tetragonal,I4/mmm [139],-0.436,0 (stable),MP,0.43,0.34,ab plane,-0.62,.,.,.,.,DFT,mp-4656
MMD-2379,Al7FeCu2,4,40,tetragonal,P4/mnc [128],-0.253,0 (stable),MP,0,0,.,.,.,.,.,.,DFT,mp-4689
MMD-2380,Sc3Fe2Si3,4,32,orthorhombic,Cmcm [63],-0.756,0 (stable),MP,0,0,.,.,.,.,.,.,DFT,mp-4755
MMD-2381,Al3FeSi2,4,24,orthorhombic,Pbcn [60],-0.256,0 (stable),MP,0,0,.,.,.,.,.,.,DFT,mp-505229
MMD-2382,FeCuSe2,2,8,tetragonal,P-42m [111],-0.14,.,MP,0.88,0.49,.,.,.,.,.,.,DFT,mp-505244
MMD-2383,Sc(FeSi)2,4,20,orthorhombic,Pbcm [57],-0.686,0 (stable),MP,0.2,0.18,.,.,.,.,.,.,DFT,mp-505554
MMD-2384,Ti2FeSe4,2,14,monoclinic,C2/m [12],-0.904,.,MP,0.33,0.2,.,.,.,.,.,.,DFT,mp-5090
MMD-2385,Sc(Fe2P)2,2,14,tetragonal,P4_2/mnm [136],-0.711,0 (stable),MP,0.56,0.54,.,.,.,.,.,.,DFT,mp-510133
MMD-2386,Y(FeSi)2,2,10,tetragonal,I4/mmm [139],-0.684,0 (stable),MP,0,0,.,.,.,.,.,.,DFT,mp-5288
MMD-2387,Fe3(CuS5)2,4,60,triclinic,P1 [1],-0.316,.,MP,0,0,.,.,.,.,.,.,DFT,mp-532329
MMD-2388,Fe4Cu2S7,2,26,orthorhombic,Pmma [51],-0.221,.,MP,0,0,.,.,.,.,.,.,DFT,mp-540724
MMD-2389,Zr2Fe12P7,1,21,hexagonal,P-6 [174],-0.744,0 (stable),MP,0.04,0.04,.,.,.,.,.,.,DFT,mp-540809
MMD-2390,Nb6Fe16Si7,4,116,cubic,Fm-3m [225],-0.447,0 (stable),MP,0.15,0.14,.,.,.,.,.,.,DFT,mp-542995
MMD-2391,Y2Fe14B,4,68,tetragonal,P4_2/mnm [136],-0.114,0 (stable),MP,1.8,1.57,.,.,.,.,.,.,DFT,mp-5434
MMD-2392,V2FeS4,2,14,monoclinic,C2/m [12],-0.826,.,MP,0.2,0.16,.,.,.,.,.,.,DFT,mp-561419
MMD-2393,FeAsS,4,12,monoclinic,P2_1/c [14],-0.449,0 (stable),MP,0,0,.,.,.,.,.,.,DFT,mp-561511
MMD-2394,FeCN2,2,8,hexagonal,P6_3/mmc [194],0.21,.,MP,0.99,1.1,ab plane,-0.8,.,.,.,.,DFT,mp-567933
MMD-2395,Cr(FeSe2)2,2,14,monoclinic,C2/m [12],-0.298,.,MP,1.03,0.68,.,.,.,.,.,.,DFT,mp-568349
MMD-2396,Zr(FeSi)2,2,10,tetragonal,I4/mmm [139],-0.665,.,MP,0,0,.,.,.,.,.,.,DFT,mp-569247
MMD-2397,Fe11Mo6C5,2,44,monoclinic,C2/m [12],-0.041,.,MP,0.52,0.57,.,.,.,.,.,.,DFT,mp-571055
MMD-2398,Cr2FeSe4,2,14,monoclinic,C2/m [12],-0.403,.,MP,1.28,0.78,.,.,.,.,.,.,DFT,mp-5749
MMD-2399,AlVFe2,4,16,cubic,Fm-3m [225],-0.432,0 (stable),MP,0,0,.,.,.,.,.,.,DFT,mp-5778
MMD-2400,FePS3,4,20,monoclinic,C2/m [12],-0.248,.,MP,0.79,0.43,c,0.6,0.52,-0.08,.,.,DFT,mp-5864
MMD-2401,Fe2CuS3,4,24,orthorhombic,Pnma [62],-0.063,.,MP,0.97,0.63,.,.,.,.,.,.,DFT,mp-603934
MMD-2402,Fe2CuS3,4,24,orthorhombic,Pnma [62],-0.259,.,MP,0.85,0.55,.,.,.,.,.,.,DFT,mp-605485
MMD-2403,Ga2Fe2S5,3,27,trigonal,R-3m [166],-0.411,.,MP,0.83,0.5,c,0.39,.,.,.,.,DFT,mp-608823
MMD-2404,Ga2Fe2S5,2,18,hexagonal,P6_3/mmc [194],-0.436,.,MP,0.78,0.48,c,1.09,.,.,.,.,DFT,mp-616672
MMD-2405,Fe2SiS4,4,28,orthorhombic,Pnma [62],-0.343,.,MP,0.97,0.64,.,.,.,.,.,.,DFT,mp-627591
MMD-2406,Y2FeB,4,16,cubic,F-43m [216],0.635,.,MP,0.25,0.17,.,.,.,.,.,.,DFT,mp-631661
MMD-2407,TiGaFe2,4,16,cubic,Fm-3m [225],-0.355,0 (stable),MP,0.22,0.21,.,.,.,.,.,.,DFT,mp-636320
MMD-2408,FeCuS2,1,4,tetragonal,P-4m2 [115],-0.277,.,MP,0.86,0.56,.,.,.,.,.,.,DFT,mp-640073
MMD-2409,FeSiGe,16,48,orthorhombic,Cmce [64],-0.188,.,MP,0,0,.,.,.,.,.,.,DFT,mp-640075
MMD-2410,FeSiGe,16,48,orthorhombic,Cmce [64],-0.172,.,MP,0,0,.,.,.,.,.,.,DFT,mp-640080
MMD-2411,Fe21(MoC3)2,4,116,cubic,Fm-3m [225],-0.011,.,MP,1.2,1.4,.,.,.,.,.,.,DFT,mp-641587
MMD-2412,AlFe2Mo,4,16,cubic,Fm-3m [225],-0.187,.,MP,0.21,0.19,.,.,.,.,.,.,DFT,mp-672259
MMD-2413,Fe(CuS)2,16,80,cubic,F-43m [216],-0.136,.,MP,0.7,0.52,.,.,.,.,.,.,DFT,mp-672708
MMD-2414,Fe(CuS)2,16,80,cubic,F-43m [216],-0.099,.,MP,0.69,0.51,.,.,.,.,.,.,DFT,mp-672709
MMD-2415,Cr(FeSe2)2,1,7,triclinic,P1 [1],-0.118,.,MP,0.93,0.52,.,.,.,.,.,.,DFT,mp-673844
MMD-2416,V(FeSe2)2,1,7,triclinic,P1 [1],-0.141,.,MP,0.8,0.5,.,.,.,.,.,.,DFT,mp-675747
MMD-2417,FeCu5S4,1,10,monoclinic,Pm [6],-0.162,.,MP,0.42,0.3,.,.,.,.,.,.,DFT,mp-675830
MMD-2418,Ti(FeSe2)2,1,7,triclinic,P-1 [2],-0.506,.,MP,0.28,0.16,.,.,.,.,.,.,DFT,mp-675929
MMD-2419,Sc22Fe7S40,1,69,triclinic,P1 [1],-1.248,.,MP,0.35,0.2,.,.,.,.,.,.,DFT,mp-685224
MMD-2420,Fe(Mo3Se4)2,2,30,triclinic,P-1 [2],-0.47,.,MP,0.27,0.15,.,.,.,.,.,.,DFT,mp-686056
MMD-2421,Fe2GeSe4,4,28,orthorhombic,Pnma [62],-0.138,.,MP,0.49,0.28,.,.,.,.,.,.,DFT,mp-705147
MMD-2422,FeCuS2,1,4,trigonal,P3m1 [156],-0.228,.,MP,0.94,0.56,c,1.3,.,.,.,.,DFT,mp-753211
MMD-2423,Fe(PS3)2,2,18,monoclinic,C2 [5],-0.173,.,MP,0.22,0.11,.,.,.,.,.,.,DFT,mp-753614
MMD-2424,FeCu5S4,3,30,trigonal,R3m [160],-0.138,.,MP,0.38,0.27,.,.,.,.,.,.,DFT,mp-760980
MMD-2425,NbFeB,1,3,hexagonal,P-6m2 [187],-0.159,.,MP,0,0,.,.,.,.,.,.,DFT,mp-7705
MMD-2426,TiFeSi,12,36,orthorhombic,Ima2 [46],-0.737,0 (stable),MP,0.05,0.04,.,.,.,.,.,.,DFT,mp-8648
MMD-2427,NbAlFe2,4,16,cubic,Fm-3m [225],-0.395,0 (stable),MP,0,0,.,.,.,.,.,.,DFT,mp-865280
MMD-2428,V2CrFe,4,16,cubic,Fm-3m [225],-0.166,0 (stable),MP,0,0,.,.,.,.,.,.,DFT,mp-865490
MMD-2429,TiFe2Si,4,16,cubic,Fm-3m [225],-0.689,0 (stable),MP,0,0,.,.,.,.,.,.,DFT,mp-866141
MMD-2430,TiFe2Ge,4,16,cubic,Fm-3m [225],-0.472,0 (stable),MP,0,0,.,.,.,.,.,.,DFT,mp-866375
MMD-2431,AlFe2Si,4,16,cubic,Fm-3m [225],-0.462,0 (stable),MP,0,0,.,.,.,.,.,.,DFT,mp-867878
MMD-2432,Fe(SiP)4,1,9,triclinic,P1 [1],-0.289,0 (stable),MP,0,0,.,.,.,.,.,.,DFT,mp-9198
MMD-2433,ScFeGe,3,9,hexagonal,P-62m [189],-0.558,0 (stable),MP,0.6,0.43,.,.,.,.,.,.,DFT,mp-9549
MMD-2434,ZrFeSe,4,12,cubic,F-43m [216],-0.552,.,MP,0,0,.,.,.,.,.,.,DFT,mp-961651
MMD-2435,VFeSe,4,12,cubic,F-43m [216],-0.129,.,MP,0,0,.,.,.,.,.,.,DFT,mp-961658
MMD-2436,TiFeSe,4,12,cubic,F-43m [216],-0.579,.,MP,0,0,.,.,.,.,.,.,DFT,mp-961660
MMD-2437,NbGaFe2,4,16,cubic,Fm-3m [225],-0.267,0 (stable),MP,0,0,.,.,.,.,.,.,DFT,mp-977410
MMD-2438,Zr(FeGe)6,1,13,hexagonal,P6/mmm [191],-0.255,0 (stable),MP,0.84,0.71,c,1.04,.,.,.,.,DFT,mp-981356
MMD-2439,Fe5B2P,4,32,tetragonal,I4/mcm [140],-0.391,0 (stable),MP,1.06,1.29,c,0.48,.,.,.,.,DFT,mp-9913
MMD-2440,Ti2FeS4,2,14,monoclinic,C2/m [12],-1.143,.,MP,0.31,0.22,.,.,.,.,.,.,DFT,mp-9942
MMD-2441,VFe11C4,1,16,monoclinic,Pm [6],0.213,.,MP,1.17,1.4,.,.,.,.,.,.,DFT,mp-995285
MMD-2442,Fe11MoC4,1,16,orthorhombic,Pmm2 [25],0.148,.,MP,1.22,1.38,.,.,.,.,.,.,DFT,mp-995434
MMD-2443,TiFe2As,4,16,cubic,Fm-3m [225],-0.319,.,MP,0.25,0.24,.,.,.,.,.,.,DFT,mp-999002
MMD-2444,Ti2GaFe,4,16,cubic,F-43m [216],-0.212,.,MP,0,0,.,.,.,.,.,.,DFT,mp-999059
MMD-2445,Ti2AlFe,4,16,cubic,F-43m [216],-0.211,.,MP,0,0,.,.,.,.,.,.,DFT,mp-999069
MMD-2446,Zn(FeS2)2,8,56,cubic,Fd-3m [227],-0.467,.,MP,0.29,0.21,.,.,.,.,.,.,DFT,mvc-11245
MMD-2447,Zn(FeS2)4,3,39,trigonal,R-3m [166],-0.344,.,MP,0.58,0.37,.,.,.,.,.,.,DFT,mvc-11742
MMD-2448,Zn(FeS2)4,3,39,trigonal,R-3m [166],-0.304,.,MP,0.54,0.37,.,.,.,.,.,.,DFT,mvc-12948
MMD-2449,ZnFe2S5,2,16,orthorhombic,Pmmn [59],-0.183,.,MP,0.27,0.17,.,.,.,.,.,.,DFT,mvc-134
MMD-2450,Zn2FeN2,4,20,monoclinic,C2/m [12],0.189,.,MP,0.39,0.37,.,.,.,.,.,.,DFT,mvc-13775
MMD-2451,Zn(FeN)2,1,5,tetragonal,P-4m2 [115],0.478,.,MP,0.64,0.61,ab plane,-2.1,.,.,.,.,DFT,mvc-13889
MMD-2452,GaCo2Ni,4,16,cubic,Fm-3m [225],-0.083,.,MP,0.7,0.71,a,.,.,.,0,.,DFT,mp-1007821
MMD-2453,MnCoSe,4,12,cubic,F-43m [216],-0.035,.,MP,1.33,1.04,<111>,.,.,.,0,.,DFT,mp-1008873
MMD-2454,MnCoS,4,12,cubic,F-43m [216],-0.042,.,MP,1.33,1.16,a,.,.,.,0,.,DFT,mp-1008876
MMD-2455,Mn2CoAs,4,16,cubic,F-43m [216],-0.044,.,MP,1,0.98,<111>,.,.,.,0,.,DFT,mp-1017515
MMD-2456,MnGaFe2,4,16,cubic,Fm-3m [225],0.116,.,MP,0,0,.,.,.,.,.,.,DFT,mp-1018046
MMD-2457,GaCo2Ni,2,8,tetragonal,I4/mmm [139],-0.112,.,MP,0.75,0.76,ab plane,-0.82,.,.,.,.,DFT,mp-1018060
MMD-2458,MnFe2Ge,4,16,cubic,Fm-3m [225],-0.103,.,MP,0.76,0.76,<111>,.,.,.,0,.,DFT,mp-1018071
MMD-2459,GaFeNi2,4,16,cubic,Fm-3m [225],-0.195,.,MP,0.81,0.8,<111>,.,.,.,0,.,DFT,mp-1018074
MMD-2460,FeNiGe,2,6,hexagonal,P6_3/mmc [194],-0.057,.,MP,0.51,0.5,c,0.09,.,.,.,.,DFT,mp-1024972
MMD-2461,FeCoGe,2,6,hexagonal,P6_3/mmc [194],-0.101,.,MP,0.95,0.92,ab plane,-0.37,.,.,.,.,DFT,mp-1025047
MMD-2462,Co2NiSe4,2,14,monoclinic,C2/m [12],-0.276,.,MP,0,0,.,.,.,.,.,.,DFT,mp-1025190
MMD-2463,Fe(CoSe2)2,2,14,monoclinic,C2/m [12],-0.266,.,MP,0.33,0.23,.,.,.,.,.,.,DFT,mp-1025235
MMD-2464,Co(NiSe2)2,2,14,monoclinic,C2/m [12],-0.266,.,MP,0,0,.,.,.,.,.,.,DFT,mp-1025318
MMD-2465,Fe(NiSe2)2,2,14,monoclinic,C2/m [12],-0.259,.,MP,0.25,0.17,.,.,.,.,.,.,DFT,mp-1025359
MMD-2466,MnCoN2,3,12,trigonal,R3m [160],-0.158,0 (stable),MP,0,0,.,.,.,.,.,.,DFT,mp-1029367
MMD-2467,MnCoSi,2,6,hexagonal,P6_3/mmc [194],-0.038,.,MP,0.9,0.91,c,1.55,.,.,.,.,DFT,mp-10365
MMD-2468,MnNiGe,4,12,cubic,F-43m [216],-0.137,.,MP,1.01,0.81,a,.,.,.,0,.,DFT,mp-1062162
MMD-2469,MnSiNi,4,12,cubic,F-43m [216],-0.242,.,MP,1,0.86,<111>,.,.,.,0,.,DFT,mp-1062306
MMD-2470,MnNiP,4,12,cubic,F-43m [216],-0.233,.,MP,1.33,1.24,a,.,.,.,0,.,DFT,mp-1063388
MMD-2471,GaFeNi2,1,4,tetragonal,P4/mmm [123],-0.187,.,MP,0.78,0.76,c,1,.,.,.,.,DFT,mp-1065359
MMD-2472,MnGaFe2,1,4,tetragonal,P4/mmm [123],-0.065,.,MP,1.67,1.57,ab plane,-1.11,.,.,.,.,DFT,mp-1065753
MMD-2473,MnGaNi2,1,4,tetragonal,P4/mmm [123],-0.247,.,MP,1.06,1.01,ab plane,-0.36,.,.,.,.,DFT,mp-1066921
MMD-2474,YMnNi4,4,24,cubic,F-43m [216],-0.265,.,MP,0.91,0.76,a,.,.,.,0,.,DFT,mp-1077362
MMD-2475,Fe2CoSe4,2,14,monoclinic,C2/m [12],-0.245,.,MP,0.54,0.38,.,.,.,.,.,.,DFT,mp-1078104
MMD-2476,CoNiAs,3,9,hexagonal,P-62m [189],-0.123,.,MP,0,0,.,.,.,.,.,.,DFT,mp-1079542
MMD-2477,MnNiAs,3,9,hexagonal,P-62m [189],-0.224,0 (stable),MP,1.13,0.98,c,0.41,.,.,.,.,DFT,mp-1079845
MMD-2478,FeNiP,3,9,hexagonal,P-62m [189],-0.466,.,MP,0.42,0.44,ab plane,-0.83,.,.,.,.,DFT,mp-1080653
MMD-2479,FeNiAs,6,18,orthorhombic,Amm2 [38],-0.1,.,MP,0.57,0.53,a,-0.63,-0.5,0.12,.,.,DFT,mp-1080824
MMD-2480,AlFeCo2,4,16,cubic,Fm-3m [225],-0.361,0 (stable),MP,1.25,1.25,a,.,.,.,0,.,DFT,mp-10884
MMD-2481,Mn2FeGe5,4,32,tetragonal,P-4n2 [118],-0.073,.,MP,0,0,.,.,.,.,.,.,DFT,mp-1094148
MMD-2482,FeCoP,4,12,orthorhombic,Pnma [62],-0.552,0 (stable),MP,0.68,0.72,c,0.71,0.48,-0.23,.,.,DFT,mp-1095664
MMD-2483,FeSiNi,4,12,orthorhombic,Pnma [62],-0.417,.,MP,0.52,0.54,b,0.17,-0.11,-0.27,.,.,DFT,mp-1103705
MMD-2484,Fe2NiB,4,16,orthorhombic,Pnma [62],-0.21,.,MP,1.06,1.28,a,-0.53,-0.07,0.45,.,.,DFT,mp-1105860
MMD-2485,Fe2NiB,8,32,tetragonal,I-4 [82],-0.203,.,MP,1.06,1.3,ab plane,-0.16,.,.,.,.,DFT,mp-1184343
MMD-2486,MnZnNi2,4,16,cubic,Fm-3m [225],-0.155,.,MP,1.12,1.09,a,.,.,.,0,.,DFT,mp-1186005
MMD-2487,Sc2CoNi,4,16,cubic,Fm-3m [225],-0.418,.,MP,0.11,0.08,.,.,.,.,.,.,DFT,mp-1186936
MMD-2488,Ti2FeCo,4,16,cubic,Fm-3m [225],-0.405,.,MP,0.22,0.2,.,.,.,.,.,.,DFT,mp-1187429
MMD-2489,Mn3Ga4Ni9,1,16,tetragonal,P4/mmm [123],-0.262,.,MP,0.82,0.8,ab plane,-0.71,.,.,.,.,DFT,mp-1188501
MMD-2490,Mn3Ga4Ni9,1,16,cubic,Pm-3m [221],-0.257,.,MP,0.82,0.79,a,.,.,.,0,.,DFT,mp-1189147
MMD-2491,Fe2NiC,4,16,orthorhombic,Pnma [62],0.046,.,MP,0.97,1.2,c,0.12,0.32,0.2,.,.,DFT,mp-1189517
MMD-2492,Mn2(Ni7B2)3,4,116,cubic,Fm-3m [225],-0.236,.,MP,0.34,0.41,.,.,.,.,.,.,DFT,mp-1193061
MMD-2493,Mn3(Co10B3)2,4,116,cubic,Fm-3m [225],-0.165,.,MP,0.9,1.1,.,.,.,.,.,.,DFT,mp-1193450
MMD-2494,Fe3(Ni10B3)2,4,116,cubic,Fm-3m [225],-0.23,.,MP,0.44,0.52,.,.,.,.,.,.,DFT,mp-1193589
MMD-2495,Y6Mn14Fe9,4,116,cubic,Fm-3m [225],0.12,.,MP,0.01,0.01,.,.,.,.,.,.,DFT,mp-1193646
MMD-2496,Mn2(Co7B2)3,4,116,cubic,Fm-3m [225],-0.175,.,MP,0.92,1.11,.,.,.,.,.,.,DFT,mp-1194187
MMD-2497,Mn3(Ni10B3)2,4,116,cubic,Fm-3m [225],-0.253,.,MP,0.45,0.54,.,.,.,.,.,.,DFT,mp-1194237
MMD-2498,Mn6Ni16Ge7,4,116,cubic,Fm-3m [225],-0.105,.,MP,0,0,.,.,.,.,.,.,DFT,mp-1194507
MMD-2499,MnFe2P,4,16,cubic,Fm-3m [225],-0.236,.,MP,1,1.09,<111>,.,.,.,0,.,DFT,mp-1206366
MMD-2500,Mn2GaNi,4,16,cubic,Fm-3m [225],-0.037,.,MP,1.8,1.58,a,.,.,.,0,.,DFT,mp-1206407
MMD-2501,CoNiP,3,9,hexagonal,P-62m [189],-0.476,.,MP,0,0,.,.,.,.,.,.,DFT,mp-1206541
MMD-2502,FeNiGe,2,6,hexagonal,P6_3/mmc [194],-0.147,.,MP,0.78,0.75,c,0.51,.,.,.,.,DFT,mp-1206550
MMD-2503,MnGa2Ni,4,16,cubic,Fm-3m [225],-0.138,.,MP,0.77,0.67,.,.,.,.,.,.,DFT,mp-1206866
MMD-2504,FeCoGe,2,6,hexagonal,P6_3/mmc [194],0.05,.,MP,0.76,0.74,c,0.9,.,.,.,.,DFT,mp-1206973
MMD-2505,Fe2CoSi,4,16,cubic,Fm-3m [225],-0.223,.,MP,1.12,1.19,a,.,.,.,0,.,DFT,mp-1207085
MMD-2506,Fe2CoSi,4,16,cubic,F-43m [216],-0.368,0 (stable),MP,1.24,1.31,a,.,.,.,0,.,DFT,mp-1207117
MMD-2507,Fe2SiNi,4,16,cubic,F-43m [216],-0.302,.,MP,1.19,1.24,<111>,.,.,.,0,.,DFT,mp-1207121
MMD-2508,Mn3SiNi,4,20,cubic,P2_13 [198],-0.2,.,MP,0.74,0.77,a,.,.,.,0.01,.,DFT,mp-1210618
MMD-2509,MnCo3C,1,5,cubic,Pm-3m [221],0.025,.,MP,1.27,1.4,a,.,.,.,0.2,.,DFT,mp-1210746
MMD-2510,MnGaFe2,2,8,tetragonal,I4/mmm [139],-0.021,.,MP,1.06,1.05,c,0.22,.,.,.,.,DFT,mp-1210826
MMD-2511,Fe3CoN,1,5,cubic,Pm-3m [221],0.016,.,MP,1.51,1.77,<111>,.,.,.,0,.,DFT,mp-1212650
MMD-2512,Fe3SiNi,4,20,cubic,P2_13 [198],-0.259,.,MP,1.4,1.43,<111>,.,.,.,-0.02,.,DFT,mp-1212682
MMD-2513,AlCo2Ni,4,16,cubic,Fm-3m [225],-0.214,.,MP,0.67,0.68,a,.,.,.,0.01,.,DFT,mp-1214804
MMD-2514,AlCo2Ni,2,8,tetragonal,I4/mmm [139],-0.243,.,MP,0.73,0.75,ab plane,-0.83,.,.,.,.,DFT,mp-1214822
MMD-2515,ZrMnNi,4,12,orthorhombic,Imma [74],-0.282,.,MP,0.73,0.57,a,-0.42,0.32,0.74,.,.,DFT,mp-1215234
MMD-2516,ZrFeCo,4,12,orthorhombic,Imma [74],-0.31,.,MP,0.71,0.58,c,1.17,0.27,-0.9,.,.,DFT,mp-1215271
MMD-2517,ZrCoNi,4,12,orthorhombic,Imma [74],-0.375,.,MP,0,0,.,.,.,.,.,.,DFT,mp-1215275
MMD-2518,ZrMnFe,8,24,orthorhombic,Amm2 [38],-0.233,.,MP,0.71,0.57,b,0.1,-0.03,-0.13,.,.,DFT,mp-1215286
MMD-2519,ZrMnNi,8,24,orthorhombic,Amm2 [38],-0.297,.,MP,0.15,0.12,.,.,.,.,.,.,DFT,mp-1215315
MMD-2520,ZrMnFe,8,24,orthorhombic,Amm2 [38],-0.232,.,MP,0.71,0.58,a,-0.64,0.27,0.91,.,.,DFT,mp-1215321
MMD-2521,Zr5Co4Ni,1,10,tetragonal,P4/mmm [123],-0.307,.,MP,0.33,0.23,c,0.03,.,.,.,.,DFT,mp-1215360
MMD-2522,Zr4FeNi,2,12,tetragonal,I422 [97],-0.235,.,MP,0.04,0.03,.,.,.,.,.,.,DFT,mp-1215366
MMD-2523,Zr4FeCo,2,12,tetragonal,I422 [97],-0.214,.,MP,0,0,.,.,.,.,.,.,DFT,mp-1215368
MMD-2524,Zr4CoNi,2,12,tetragonal,I422 [97],-0.296,.,MP,0,0,.,.,.,.,.,.,DFT,mp-1215379
MMD-2525,Zr2MnFe3,3,18,trigonal,R-3m [166],-0.269,.,MP,1,0.79,c,0.12,.,.,.,.,DFT,mp-1215517
MMD-2526,Zr2FeCo3,3,18,trigonal,R-3m [166],-0.322,0 (stable),MP,0.53,0.43,ab plane,-1.35,.,.,.,.,DFT,mp-1215554
MMD-2527,Zr2CoNi,2,8,orthorhombic,Amm2 [38],-0.413,0 (stable),MP,0,0,.,.,.,.,.,.,DFT,mp-1215600
MMD-2528,Zr3MnCo8,3,36,trigonal,R3m [160],-0.252,.,MP,0.82,0.73,.,.,.,.,.,.,DFT,mp-1215872
MMD-2529,Zr3(MnNi2)2,2,18,triclinic,P-1 [2],-0.341,.,MP,0.46,0.36,.,.,.,.,.,.,DFT,mp-1215885
MMD-2530,YMnFe,4,12,orthorhombic,Imma [74],0.044,.,MP,1,0.72,b,0.31,-0.44,-0.75,.,.,DFT,mp-1215943
MMD-2531,YCo3Ni2,1,6,hexagonal,P6/mmm [191],-0.189,.,MP,0.82,0.7,c,2.45,.,.,.,.,DFT,mp-1215948
MMD-2532,YMnCo,4,12,orthorhombic,Imma [74],-0.065,.,MP,1.15,0.8,b,-0.32,-0.93,-0.6,.,.,DFT,mp-1215953
MMD-2533,YCoNi,4,12,orthorhombic,Imma [74],-0.284,.,MP,0.29,0.23,b,0.06,-0.08,-0.14,.,.,DFT,mp-1215957
MMD-2534,YFeCo,4,12,orthorhombic,Imma [74],-0.15,0 (stable),MP,0.96,0.7,b,-0.24,-1.91,-1.67,.,.,DFT,mp-1215958
MMD-2535,YFeNi4,1,6,hexagonal,P-6m2 [187],-0.248,.,MP,0.67,0.56,ab plane,-0.71,.,.,.,.,DFT,mp-1215961
MMD-2536,YFeNi,4,12,orthorhombic,Imma [74],-0.22,.,MP,0.68,0.5,c,0.85,0.52,-0.34,.,.,DFT,mp-1215987
MMD-2537,Y2Mn3Co,3,18,trigonal,R-3m [166],0.045,.,MP,1.05,0.75,ab plane,-0.89,.,.,.,.,DFT,mp-1216070
MMD-2538,Y2Mn3Fe,3,18,trigonal,R-3m [166],0.205,.,MP,0,0,.,.,.,.,.,.,DFT,mp-1216095
MMD-2539,Y2(CoNi)5,1,12,orthorhombic,Pmmm [47],-0.172,.,MP,0.75,0.64,a,-3.49,0.18,3.67,.,.,DFT,mp-1216167
MMD-2540,TiCoNi2,8,32,orthorhombic,Amm2 [38],-0.389,.,MP,0.2,0.2,.,.,.,.,.,.,DFT,mp-1217064
MMD-2541,Ti2CoNi,1,4,tetragonal,P4/mmm [123],-0.37,.,MP,0.19,0.17,c,1.05,.,.,.,.,DFT,mp-1217078
MMD-2542,Ti2CoNi,12,48,orthorhombic,Imm2 [44],-0.304,.,MP,0,0,.,.,.,.,.,.,DFT,mp-1217222
MMD-2543,Ti4Co5Ni,1,10,tetragonal,P4/mmm [123],-0.294,.,MP,0.32,0.29,ab plane,-0.2,.,.,.,.,DFT,mp-1217224
MMD-2544,Ti4CoNi,16,96,cubic,F-43m [216],-0.297,0 (stable),MP,0,0,.,.,.,.,.,.,DFT,mp-1217247
MMD-2545,Ti4FeNi,16,96,cubic,F-43m [216],-0.271,.,MP,0,0,.,.,.,.,.,.,DFT,mp-1217277
MMD-2546,Nb2FeCo3,2,12,hexagonal,P6_3/mmc [194],-0.178,0 (stable),MP,0.41,0.38,ab plane,-1.15,.,.,.,.,DFT,mp-1220766
MMD-2547,MnNiP2,2,8,orthorhombic,Pmc2_1 [26],-0.524,.,MP,0.17,0.17,c,0.11,0.11,0,.,.,DFT,mp-1221342
MMD-2548,MnNiSe2,1,4,trigonal,P-3m1 [164],-0.221,.,MP,0.75,0.57,c,0.43,.,.,.,.,DFT,mp-1221348
MMD-2549,Mn5Fe5Si6,2,32,orthorhombic,Amm2 [38],-0.335,.,MP,0.78,0.78,b,-0.56,-0.61,-0.06,.,.,DFT,mp-1221382
MMD-2550,Mn5Fe5Si6,2,32,orthorhombic,Amm2 [38],-0.366,.,MP,1.25,1.23,a,-1.76,-1.75,0.01,.,.,DFT,mp-1221407
MMD-2551,Mn2SiNi,2,8,tetragonal,I-4m2 [119],-0.205,.,MP,0.01,0.01,.,.,.,.,.,.,DFT,mp-1221538
MMD-2552,MnSi2Ni,2,8,monoclinic,P2_1 [4],-0.469,.,MP,0.25,0.25,a,-0.05,0.16,0.21,.,.,DFT,mp-1221554
MMD-2553,MnSiNi2,1,4,tetragonal,P4/mmm [123],-0.262,.,MP,0.99,0.98,ab plane,-1.03,.,.,.,.,DFT,mp-1221579
MMD-2554,MnFeSi4,1,6,tetragonal,P4/mmm [123],-0.347,.,MP,0.08,0.08,.,.,.,.,.,.,DFT,mp-1221606
MMD-2555,MnFeSi2,2,8,monoclinic,P2_1 [4],-0.473,.,MP,0.24,0.25,b,0.07,-0.07,-0.14,.,.,DFT,mp-1221619
MMD-2556,MnAlFe2,4,16,cubic,F-43m [216],-0.129,.,MP,1.75,1.66,a,.,.,.,0,.,DFT,mp-1221620
MMD-2557,MnFeP2,2,8,orthorhombic,Pmc2_1 [26],-0.593,.,MP,0.45,0.45,a,-0.92,-0.9,0.02,.,.,DFT,mp-1221626
MMD-2558,MnCo2Si,1,4,tetragonal,P4/mmm [123],-0.327,.,MP,1.27,1.31,c,0.34,.,.,.,.,DFT,mp-1221634
MMD-2559,MnFe3Si8,1,12,tetragonal,P4/mmm [123],-0.365,.,MP,0.03,0.03,.,.,.,.,.,.,DFT,mp-1221641
MMD-2560,MnAl2Co,1,4,tetragonal,P4/mmm [123],-0.422,.,MP,0.46,0.43,c,0.82,.,.,.,.,DFT,mp-1221642
MMD-2561,MnFeB,8,24,orthorhombic,Fmmm [69],-0.318,.,MP,0.94,1.21,b,-0.31,-0.7,-0.39,.,.,DFT,mp-1221654
MMD-2562,MnAl2Ni,1,4,tetragonal,P4/mmm [123],-0.459,0 (stable),MP,0.54,0.5,c,1.31,.,.,.,.,DFT,mp-1221656
MMD-2563,MnFePt2,1,4,tetragonal,P4/mmm [123],-0.155,.,MP,1.7,1.5,c,2.88,.,.,.,.,DFT,mp-1221659
MMD-2564,MnCoB,8,24,orthorhombic,Fmmm [69],-0.311,.,MP,0.76,0.99,a,-1.33,-0.11,1.22,.,.,DFT,mp-1221661
MMD-2565,MnCoSi2,2,8,monoclinic,P2_1 [4],-0.501,.,MP,0.04,0.04,.,.,.,.,.,.,DFT,mp-1221669
MMD-2566,MnCoB2,2,8,orthorhombic,Pmc2_1 [26],-0.393,.,MP,0.49,0.72,c,0.22,0.04,-0.18,.,.,DFT,mp-1221680
MMD-2567,MnCoSe2,3,12,trigonal,R-3m [166],-0.124,.,MP,1.48,1,ab plane,-0.26,.,.,.,.,DFT,mp-1221682
MMD-2568,MnCoPt2,1,4,tetragonal,P4/mmm [123],-0.18,.,MP,1.62,1.35,c,8.88,.,.,.,.,DFT,mp-1221704
MMD-2569,MnFe4Si3,4,32,orthorhombic,Amm2 [38],-0.375,.,MP,1.05,1.07,b,-1.93,-1.96,-0.02,.,.,DFT,mp-1221713
MMD-2570,Mn3CoAs2,1,6,tetragonal,P-4m2 [115],-0.128,0 (stable),MP,1.41,1.18,ab plane,-1.05,.,.,.,.,DFT,mp-1221723
MMD-2571,MnFe3P2,3,18,monoclinic,Pm [6],-0.494,0 (stable),MP,1.17,1.2,b,0,-0.88,-0.88,.,.,DFT,mp-1221737
MMD-2572,MnAlNi6,1,8,tetragonal,P4/mmm [123],-0.253,.,MP,0.61,0.65,ab plane,-0.14,.,.,.,.,DFT,mp-1221740
MMD-2573,Mn3FeP4,1,8,monoclinic,Pm [6],-0.596,.,MP,0.56,0.56,b,-0.77,-0.95,-0.18,.,.,DFT,mp-1221749
MMD-2574,MnCoSe2,1,4,trigonal,P-3m1 [164],-0.159,.,MP,0.58,0.46,ab plane,-1.04,.,.,.,.,DFT,mp-1221754
MMD-2575,Mn3Fe3Si2,3,24,trigonal,R3m [160],-0.266,.,MP,0.64,0.68,ab plane,-0.04,.,.,.,.,DFT,mp-1221761
MMD-2576,Mn3FeAs4,1,8,monoclinic,Pm [6],-0.222,.,MP,0.7,0.58,b,2.24,-0.02,-2.25,.,.,DFT,mp-1221780
MMD-2577,Mn3NiP2,2,12,orthorhombic,Pmc2_1 [26],-0.517,0 (stable),MP,1.06,1.07,a,-1.83,-0.91,0.92,.,.,DFT,mp-1221804
MMD-2578,Mn4FeS5,3,30,trigonal,R-3m [166],-0.391,.,MP,2.09,1.49,c,0.25,.,.,.,.,DFT,mp-1221805
MMD-2579,Mn4Si3Ni5,2,24,orthorhombic,Amm2 [38],-0.307,.,MP,1.24,1.2,b,-0.11,-0.19,-0.08,.,.,DFT,mp-1221824
MMD-2580,Mn3Fe9P4,1,16,triclinic,P1 [1],-0.332,.,MP,1.27,1.32,.,.,.,.,.,.,DFT,mp-1221826
MMD-2581,Mn5Fe5C4,1,14,triclinic,P1 [1],-0.025,.,MP,0.57,0.72,.,.,.,.,.,.,DFT,mp-1221847
MMD-2582,Mn4CoS5,3,30,trigonal,R-3m [166],-0.393,.,MP,1.94,1.43,c,0.01,.,.,.,.,DFT,mp-1221850
MMD-2583,Mn4FeC2,4,28,monoclinic,C2 [5],-0.057,.,MP,0.47,0.6,b,-0.22,-0.49,-0.27,.,.,DFT,mp-1221861
MMD-2584,Mn3Fe9C4,1,16,triclinic,P1 [1],0.013,.,MP,1.06,1.31,.,.,.,.,.,.,DFT,mp-1221888
MMD-2585,Mn2FeSe3,1,6,trigonal,P-3m1 [164],-0.033,.,MP,1.71,1.3,c,1.51,.,.,.,.,DFT,mp-1221940
MMD-2586,Mn2GaNi,2,8,tetragonal,I-4m2 [119],0.058,.,MP,0,0,.,.,.,.,.,.,DFT,mp-1222026
MMD-2587,Mn3Fe3Ge2,1,8,hexagonal,P-6m2 [187],-0.056,.,MP,1.32,1.29,ab plane,-1.43,.,.,.,.,DFT,mp-1222054
MMD-2588,MnGa2Ni9,1,12,tetragonal,P4/mmm [123],-0.217,0 (stable),MP,0.45,0.46,c,0.1,.,.,.,.,DFT,mp-1222110
MMD-2589,Mn3(Co2Ge3)2,2,26,orthorhombic,Cmm2 [35],-0.13,.,MP,0.68,0.59,c,0.42,0.32,-0.1,.,.,DFT,mp-1222126
MMD-2590,Mn4Co11Ge5,3,60,trigonal,R-3m [166],-0.197,.,MP,1.2,1.19,.,.,.,.,.,.,DFT,mp-1222148
MMD-2591,Mn4FeGe3,2,16,trigonal,P-31m [162],-0.092,.,MP,1.62,1.4,ab plane,-0.35,.,.,.,.,DFT,mp-1222161
MMD-2592,Mn4NiSe5,2,20,orthorhombic,Immm [71],-0.081,.,MP,1.34,0.92,c,1.49,1.14,-0.36,.,.,DFT,mp-1222176
MMD-2593,Mn4FeS5,2,20,monoclinic,C2/m [12],-0.398,.,MP,2.06,1.5,b,0.18,-0.08,-0.26,.,.,DFT,mp-1222234
MMD-2594,Fe2NiP,8,32,tetragonal,I-4 [82],-0.339,.,MP,1.04,1.08,ab plane,-0.61,.,.,.,.,DFT,mp-1224713
MMD-2595,Fe2CoSe4,2,14,monoclinic,Cm [8],-0.234,.,MP,0.4,0.28,.,.,.,.,.,.,DFT,mp-1224716
MMD-2596,Fe2NiSe4,2,14,monoclinic,Cm [8],-0.239,.,MP,0.4,0.28,.,.,.,.,.,.,DFT,mp-1224725
MMD-2597,Fe(NiAs)2,6,30,orthorhombic,Imm2 [44],-0.129,.,MP,0.3,0.24,.,.,.,.,.,.,DFT,mp-1224728
MMD-2598,Fe3NiAs8,1,12,monoclinic,P2/m [10],-0.247,.,MP,0.07,0.05,.,.,.,.,.,.,DFT,mp-1224768
MMD-2599,Fe3NiAs4,1,8,monoclinic,Pm [6],-0.214,0 (stable),MP,0,0,.,.,.,.,.,.,DFT,mp-1224770
MMD-2600,Fe3NiP4,1,8,monoclinic,Pm [6],-0.57,0 (stable),MP,0,0,.,.,.,.,.,.,DFT,mp-1224771
MMD-2601,GaCo2Ni,1,4,tetragonal,P4/mmm [123],-0.019,.,MP,0.67,0.68,ab plane,-0.65,.,.,.,.,DFT,mp-1224797
MMD-2602,Ga2CoNi,1,4,tetragonal,P4/mmm [123],-0.28,.,MP,0.17,0.16,c,0.08,.,.,.,.,DFT,mp-1224798
MMD-2603,Fe3Ni3P2,4,32,monoclinic,C2 [5],-0.386,.,MP,0.8,0.84,a,-0.35,-0.18,0.17,.,.,DFT,mp-1224865
MMD-2604,Ga2FeCo,1,4,tetragonal,P4/mmm [123],-0.141,.,MP,0.1,0.09,ab plane,-0.39,.,.,.,.,DFT,mp-1224867
MMD-2605,FeNiSe4,2,12,monoclinic,P2_1/c [14],-0.267,.,MP,0.13,0.09,.,.,.,.,.,.,DFT,mp-1224875
MMD-2606,Fe3Ni3B2,2,16,monoclinic,P2_1 [4],-0.213,.,MP,0.88,1.06,a,-0.78,-0.37,0.41,.,.,DFT,mp-1224887
MMD-2607,FeNiS4,2,12,monoclinic,P2_1/c [14],-0.363,.,MP,0.22,0.18,.,.,.,.,.,.,DFT,mp-1224893
MMD-2608,GaFe2Co,4,16,cubic,F-43m [216],-0.138,.,MP,1.31,1.31,a,.,.,.,0,.,DFT,mp-1224895
MMD-2609,FeNiS2,1,4,trigonal,P-3m1 [164],-0.257,.,MP,0.29,0.26,c,2.14,.,.,.,.,DFT,mp-1224903
MMD-2610,Fe3Ni3Pt2,1,8,orthorhombic,Pmmm [47],-0.152,.,MP,1.39,1.33,b,2.6,-4.36,-6.95,.,.,DFT,mp-1224927
MMD-2611,FeNiPt6,1,8,tetragonal,P4/mmm [123],-0.142,0 (stable),MP,0.67,0.52,ab plane,-1.02,.,.,.,.,DFT,mp-1224947
MMD-2612,FeNiAs4,1,6,monoclinic,P2/m [10],-0.246,.,MP,0.1,0.08,.,.,.,.,.,.,DFT,mp-1224951
MMD-2613,FeNiB,8,24,orthorhombic,Fmmm [69],-0.256,.,MP,0.63,0.82,b,-0.09,-1.02,-0.94,.,.,DFT,mp-1224960
MMD-2614,FeCoSe2,1,4,trigonal,P-3m1 [164],-0.066,.,MP,0.31,0.25,c,1.81,.,.,.,.,DFT,mp-1224966
MMD-2615,FeNiPt2,1,4,tetragonal,P4/mmm [123],-0.147,.,MP,1.03,0.91,c,17.06,.,.,.,.,DFT,mp-1224968
MMD-2616,FeCoS2,1,4,trigonal,P-3m1 [164],-0.268,.,MP,0,0,.,.,.,.,.,.,DFT,mp-1224971
MMD-2617,FeCoAs4,1,6,monoclinic,P2/m [10],-0.267,.,MP,0.08,0.06,.,.,.,.,.,.,DFT,mp-1224972
MMD-2618,FeCuNi,1,3,trigonal,P3m1 [156],0.071,.,MP,1.01,1.08,c,2.51,.,.,.,.,DFT,mp-1224973
MMD-2619,FeCo3S8,3,36,trigonal,R-3 [148],-0.401,.,MP,0.25,0.21,.,.,.,.,.,.,DFT,mp-1224978
MMD-2620,FeCoSi2,2,8,monoclinic,P2_1 [4],-0.558,.,MP,0.25,0.27,c,0.24,0.24,-0.01,.,.,DFT,mp-1224983
MMD-2621,FeCoB,8,24,orthorhombic,Fmmm [69],-0.288,.,MP,0.99,1.3,a,-0.52,-0.34,0.17,.,.,DFT,mp-1224984
MMD-2622,FeNiP6,4,32,monoclinic,C2/m [12],-0.418,0 (stable),MP,0,0,.,.,.,.,.,.,DFT,mp-1224986
MMD-2623,FeCoPt2,1,4,tetragonal,P4/mmm [123],-0.116,.,MP,1.36,1.22,c,10.82,.,.,.,.,DFT,mp-1224993
MMD-2624,FeCoB2,2,8,orthorhombic,Pmc2_1 [26],-0.377,.,MP,0.27,0.4,c,0.23,0.41,0.18,.,.,DFT,mp-1224999
MMD-2625,FeCoS4,2,12,monoclinic,P2_1/c [14],-0.436,.,MP,0.16,0.14,c,0.14,0.19,0.05,.,.,DFT,mp-1225004
MMD-2626,FeCoPt2,3,12,trigonal,R3m [160],-0.008,.,MP,1.26,1.09,ab plane,-0.97,.,.,.,.,DFT,mp-1225018
MMD-2627,Fe7Ni5P4,1,16,triclinic,P1 [1],-0.385,.,MP,0.89,0.93,.,.,.,.,.,.,DFT,mp-1225022
MMD-2628,Fe3Ni3Ge2,3,24,trigonal,R3m [160],-0.07,.,MP,0.86,0.85,c,0.57,.,.,.,.,DFT,mp-1225085
MMD-2629,FeNiS2,8,32,orthorhombic,Imm2 [44],-0.171,.,MP,0.75,0.38,.,.,.,.,.,.,DFT,mp-1225090
MMD-2630,FeNi2Ge,1,4,tetragonal,P4/mmm [123],-0.155,.,MP,0.6,0.61,c,1.1,.,.,.,.,DFT,mp-1225094
MMD-2631,Ga2FeNi9,1,12,tetragonal,P4/mmm [123],-0.208,.,MP,0.51,0.53,ab plane,0,.,.,.,.,DFT,mp-1225169
MMD-2632,Fe(CoSe2)2,2,14,monoclinic,Cm [8],-0.242,.,MP,0.25,0.18,.,.,.,.,.,.,DFT,mp-1225174
MMD-2633,Fe3Co3B2,2,16,monoclinic,P2_1 [4],-0.231,.,MP,1.29,1.55,a,-0.48,0.42,0.91,.,.,DFT,mp-1225207
MMD-2634,Fe3Si2Ni3,1,8,orthorhombic,Pmmm [47],-0.322,.,MP,0.81,0.85,c,0.76,0.26,-0.5,.,.,DFT,mp-1225224
MMD-2635,Fe3Co3Si2,3,24,trigonal,R3m [160],-0.374,0 (stable),MP,1.34,1.41,c,0.04,.,.,.,.,DFT,mp-1225227
MMD-2636,Fe4NiSe10,2,30,monoclinic,P2/m [10],-0.322,.,MP,0,0,.,.,.,.,.,.,DFT,mp-1225243
MMD-2637,Fe5Ni4P3,4,48,triclinic,P1 [1],-0.384,.,MP,0.85,0.9,.,.,.,.,.,.,DFT,mp-1225371
MMD-2638,Fe3Co3Ge2,3,24,trigonal,R3m [160],-0.03,.,MP,1.25,1.24,c,0.2,.,.,.,.,DFT,mp-1225391
MMD-2639,Fe4Ni5P3,4,48,triclinic,P1 [1],-0.391,.,MP,0.73,0.77,.,.,.,.,.,.,DFT,mp-1225419
MMD-2640,FeNi35S32,2,136,orthorhombic,I222 [23],-0.378,.,MP,0.01,0.01,.,.,.,.,.,.,DFT,mp-1225604
MMD-2641,CoNiPt2,1,4,tetragonal,P4/mmm [123],-0.09,.,MP,0.83,0.73,c,8.13,.,.,.,.,DFT,mp-1226004
MMD-2642,CoSi4Ni,3,18,trigonal,R-3m [166],-0.45,0 (stable),MP,0,0,.,.,.,.,.,.,DFT,mp-1226006
MMD-2643,CoNiAs2,1,4,trigonal,P-3m1 [164],-0.245,.,MP,0,0,.,.,.,.,.,.,DFT,mp-1226009
MMD-2644,CoSi4Ni3,1,8,monoclinic,Pm [6],-0.523,0 (stable),MP,0,0,.,.,.,.,.,.,DFT,mp-1226011
MMD-2645,CoNiSe2,1,4,trigonal,P-3m1 [164],-0.179,.,MP,0,0,.,.,.,.,.,.,DFT,mp-1226013
MMD-2646,CoNiGe,2,6,hexagonal,P6_3/mmc [194],-0.162,.,MP,0.15,0.15,c,0.17,.,.,.,.,DFT,mp-1226015
MMD-2647,Co5NiS8,4,56,cubic,F-43m [216],-0.468,0 (stable),MP,0.01,0.01,.,.,.,.,.,.,DFT,mp-1226019
MMD-2648,CoNiGe,2,6,hexagonal,P6_3/mmc [194],-0.172,.,MP,0,0,.,.,.,.,.,.,DFT,mp-1226021
MMD-2649,CoNiP,3,9,hexagonal,P-62m [189],-0.566,0 (stable),MP,0,0,.,.,.,.,.,.,DFT,mp-1226037
MMD-2650,CoNiS4,2,12,monoclinic,P2_1/c [14],-0.297,.,MP,0.07,0.06,.,.,.,.,.,.,DFT,mp-1226064
MMD-2651,CoNi5S8,4,56,cubic,F-43m [216],-0.386,.,MP,0,0,.,.,.,.,.,.,DFT,mp-1226065
MMD-2652,CoNiSe4,2,12,monoclinic,P2_1/c [14],-0.255,.,MP,0,0,.,.,.,.,.,.,DFT,mp-1226084
MMD-2653,CoNiPt2,3,12,trigonal,R3m [160],0.003,.,MP,0.78,0.66,c,3.6,.,.,.,.,DFT,mp-1226094
MMD-2654,Co7NiP4,1,12,monoclinic,Pm [6],-0.529,0 (stable),MP,0,0,.,.,.,.,.,.,DFT,mp-1226111
MMD-2655,Co3Ni3S8,3,42,trigonal,R-3m [166],-0.414,.,MP,0,0,.,.,.,.,.,.,DFT,mp-1226465
MMD-2656,Co(NiS2)2,1,7,monoclinic,P2/m [10],-0.334,.,MP,0,0,.,.,.,.,.,.,DFT,mp-1226504
MMD-2657,Co(NiSe2)2,2,14,monoclinic,Cm [8],-0.278,.,MP,0,0,.,.,.,.,.,.,DFT,mp-1226512
MMD-2658,Co3Ni9P4,1,16,triclinic,P1 [1],-0.385,.,MP,0.24,0.26,.,.,.,.,.,.,DFT,mp-1226652
MMD-2659,Al5FeNi,8,56,orthorhombic,Amm2 [38],-0.382,0 (stable),MP,0,0,.,.,.,.,.,.,DFT,mp-1228374
MMD-2660,Al9Co2Ni,8,96,orthorhombic,Immm [71],-0.397,.,MP,0,0,.,.,.,.,.,.,DFT,mp-1228742
MMD-2661,Al2FeCo,1,4,tetragonal,P4/mmm [123],-0.467,0 (stable),MP,0.13,0.13,ab plane,-0.1,.,.,.,.,DFT,mp-1228905
MMD-2662,Al2FeNi,1,4,tetragonal,P4/mmm [123],-0.522,0 (stable),MP,0,0,.,.,.,.,.,.,DFT,mp-1228910
MMD-2663,Al2CoNi,1,4,tetragonal,P4/mmm [123],-0.614,.,MP,0.12,0.12,ab plane,-0.06,.,.,.,.,DFT,mp-1228913
MMD-2664,AlCoNi6,1,8,tetragonal,P4/mmm [123],-0.202,.,MP,0.58,0.62,c,0.2,.,.,.,.,DFT,mp-1228972
MMD-2665,Mn3Co8N9,4,80,monoclinic,P2_1/c [14],0.176,.,MP,0.06,0.07,.,.,.,.,.,.,DFT,mp-1245346
MMD-2666,Mn5NiN4,2,20,orthorhombic,Pmmn [59],-0.101,.,MP,0.67,0.75,c,1.88,1.45,-0.43,.,.,DFT,mp-1245394
MMD-2667,Mn3Ni8N9,4,80,monoclinic,P2_1/c [14],0.246,.,MP,0,0,.,.,.,.,.,.,DFT,mp-1245427
MMD-2668,MnNi5N4,2,20,orthorhombic,Pmmn [59],0.13,.,MP,0,0,.,.,.,.,.,.,DFT,mp-1245431
MMD-2669,Mn2NiN2,1,5,trigonal,P-3m1 [164],0.074,.,MP,0,0,.,.,.,.,.,.,DFT,mp-1245477
MMD-2670,Mn(NiN)3,2,14,hexagonal,P6_3/m [176],0.147,.,MP,0,0,.,.,.,.,.,.,DFT,mp-1245483
MMD-2671,Fe2CoN2,2,10,tetragonal,I4/mmm [139],0.138,.,MP,1.23,1.54,c,0.04,.,.,.,.,DFT,mp-1245531
MMD-2672,Fe(CoN)2,1,5,trigonal,P-3m1 [164],0.263,.,MP,0.31,0.41,c,0.9,.,.,.,.,DFT,mp-1245567
MMD-2673,Fe(NiN)3,2,14,hexagonal,P6_3/mmc [194],0.27,.,MP,0.17,0.18,c,0.41,.,.,.,.,DFT,mp-1245580
MMD-2674,Mn(CoN)2,1,5,trigonal,P-3m1 [164],0.096,.,MP,0.73,0.91,c,1.71,.,.,.,.,DFT,mp-1245597
MMD-2675,Mn(CoN)2,2,10,orthorhombic,Pmmn [59],0.191,.,MP,0.53,0.67,b,-0.27,-0.45,-0.17,.,.,DFT,mp-1245606
MMD-2676,Mn(Fe5N4)2,2,38,monoclinic,C2/m [12],0.116,.,MP,0.57,0.72,.,.,.,.,.,.,DFT,mp-1245641
MMD-2677,Co2NiN2,3,15,trigonal,R-3m [166],0.153,.,MP,0,0,.,.,.,.,.,.,DFT,mp-1245646
MMD-2678,Mn3(FeN2)2,4,36,monoclinic,C2/c [15],-0.116,.,MP,0.1,0.12,.,.,.,.,.,.,DFT,mp-1245673
MMD-2679,Mn2CoN2,2,10,monoclinic,C2/m [12],-0.018,.,MP,0.28,0.33,c,1.2,0.47,-0.72,.,.,DFT,mp-1245700
MMD-2680,MnNiN2,2,8,hexagonal,P6_3/mmc [194],-0.004,.,MP,0,0,.,.,.,.,.,.,DFT,mp-1245706
MMD-2681,Fe10NiN8,2,38,monoclinic,C2/m [12],0.167,.,MP,0.54,0.68,.,.,.,.,.,.,DFT,mp-1245751
MMD-2682,Mn(NiN)2,1,5,trigonal,P-3m1 [164],0.223,.,MP,0.15,0.2,c,1.36,.,.,.,.,DFT,mp-1245787
MMD-2683,Mn(NiN)2,4,20,orthorhombic,Pnma [62],0.175,.,MP,0,0,.,.,.,.,.,.,DFT,mp-1245849
MMD-2684,Co2NiN2,2,10,tetragonal,I4/mmm [139],0.239,.,MP,0,0,.,.,.,.,.,.,DFT,mp-1245878
MMD-2685,Mn2FeN2,1,5,trigonal,P-3m1 [164],0.053,.,MP,0.31,0.38,c,0.39,.,.,.,.,DFT,mp-1245879
MMD-2686,Mn2FeN2,4,20,orthorhombic,Cmc2_1 [36],0.002,.,MP,0.54,0.6,a,-1.31,-1.14,0.18,.,.,DFT,mp-1245907
MMD-2687,Mn(CoN)3,2,14,monoclinic,P2_1/m [11],0.159,.,MP,0.2,0.24,.,.,.,.,.,.,DFT,mp-1245959
MMD-2688,Mn10CoN8,2,38,orthorhombic,Immm [71],-0.158,.,MP,0.96,1.04,.,.,.,.,.,.,DFT,mp-1245992
MMD-2689,CoNiN,1,3,hexagonal,P-6m2 [187],0.154,.,MP,0,0,.,.,.,.,.,.,DFT,mp-1246020
MMD-2690,Fe(CoN)3,2,14,hexagonal,P6_3/mmc [194],0.21,.,MP,0,0,.,.,.,.,.,.,DFT,mp-1246033
MMD-2691,Mn(CoN)4,2,18,triclinic,P-1 [2],0.175,.,MP,0.02,0.02,.,.,.,.,.,.,DFT,mp-1246097
MMD-2692,Mn2Fe9N8,2,38,monoclinic,C2/m [12],0.123,.,MP,0.64,0.76,.,.,.,.,.,.,DFT,mp-1246147
MMD-2693,Mn3(CoN)8,2,38,monoclinic,C2/m [12],0.158,.,MP,0.21,0.27,.,.,.,.,.,.,DFT,mp-1246172
MMD-2694,Fe2Ni3N4,4,36,monoclinic,C2/c [15],0.277,.,MP,0,0,.,.,.,.,.,.,DFT,mp-1246184
MMD-2695,Mn3CoN3,4,28,orthorhombic,Cmcm [63],-0.081,.,MP,0.88,0.99,.,.,.,.,.,.,DFT,mp-1246223
MMD-2696,Fe2Co3N4,4,36,monoclinic,C2/c [15],0.196,.,MP,0,0,.,.,.,.,.,.,DFT,mp-1246230
MMD-2697,Fe2Co9N8,2,38,monoclinic,C2/m [12],0.264,.,MP,0.1,0.12,.,.,.,.,.,.,DFT,mp-1246235
MMD-2698,CoNi5N4,2,20,orthorhombic,Pmmn [59],0.263,.,MP,0,0,.,.,.,.,.,.,DFT,mp-1246265
MMD-2699,Mn2NiN2,4,20,orthorhombic,Cmc2_1 [36],-0.019,.,MP,0.62,0.66,c,1.48,0.62,-0.85,.,.,DFT,mp-1246288
MMD-2700,Fe3(CoN)8,2,38,monoclinic,C2/m [12],0.239,.,MP,0.1,0.13,.,.,.,.,.,.,DFT,mp-1246348
MMD-2701,Fe2CoN2,2,10,monoclinic,C2/m [12],0.261,.,MP,0.28,0.37,c,0.78,1.13,0.36,.,.,DFT,mp-1246435
MMD-2702,Mn8Fe3N8,2,38,monoclinic,C2/m [12],-0.152,.,MP,1.4,1.74,c,0.87,0.5,-0.37,.,.,DFT,mp-1246446
MMD-2703,Fe2Ni9N8,2,38,monoclinic,C2/m [12],0.312,.,MP,0.03,0.03,.,.,.,.,.,.,DFT,mp-1246451
MMD-2704,FeCo5N4,2,20,orthorhombic,Pmmn [59],0.14,.,MP,0,0,.,.,.,.,.,.,DFT,mp-1246461
MMD-2705,Co5NiN4,2,20,orthorhombic,Pmmn [59],0.225,.,MP,0,0,.,.,.,.,.,.,DFT,mp-1246516
MMD-2706,Mn2CoN2,2,10,tetragonal,I4/mmm [139],-0.173,.,MP,1.31,1.61,ab plane,-0.23,.,.,.,.,DFT,mp-1246571
MMD-2707,Mn2NiN2,2,10,orthorhombic,Pmmn [59],-0.181,.,MP,1.12,1.38,c,0.5,0.5,0,.,.,DFT,mp-1246609
MMD-2708,Mn3Fe3N5,2,22,triclinic,P-1 [2],1.203,.,MP,0.34,0.41,.,.,.,.,.,.,DFT,mp-1246617
MMD-2709,Mn2CoN2,4,20,orthorhombic,Cmc2_1 [36],0.088,.,MP,0.44,0.47,.,.,.,.,.,.,DFT,mp-1246667
MMD-2710,Mn3(FeN)8,2,38,monoclinic,C2/m [12],0.05,.,MP,0.78,0.9,.,.,.,.,.,.,DFT,mp-1246668
MMD-2711,FeNi5N4,2,20,orthorhombic,Pmmn [59],0.211,.,MP,0,0,.,.,.,.,.,.,DFT,mp-1246672
MMD-2712,Mn3(FeN2)2,4,36,orthorhombic,Pnna [52],0.028,.,MP,0.02,0.02,.,.,.,.,.,.,DFT,mp-1246755
MMD-2713,Fe(CoN)2,2,10,tetragonal,I4/mmm [139],0.239,.,MP,0.63,0.81,ab plane,-0.6,.,.,.,.,DFT,mp-1246772
MMD-2714,Mn10FeN8,2,38,orthorhombic,Immm [71],-0.156,.,MP,1.02,1.1,b,0.57,-0.06,-0.63,.,.,DFT,mp-1246793
MMD-2715,Mn10CoN9,4,80,monoclinic,P2_1/c [14],0.011,.,MP,0.01,0.01,.,.,.,.,.,.,DFT,mp-1246831
MMD-2716,Fe2NiN2,2,10,orthorhombic,Pmmn [59],0.152,.,MP,0.37,0.47,a,-0.56,0.04,0.6,.,.,DFT,mp-1247015
MMD-2717,Fe10CoN8,2,38,monoclinic,C2/m [12],0.17,.,MP,0.57,0.68,.,.,.,.,.,.,DFT,mp-1247037
MMD-2718,Fe(Co5N4)2,2,38,monoclinic,C2/m [12],0.27,.,MP,0.06,0.08,.,.,.,.,.,.,DFT,mp-1247046
MMD-2719,Co(NiN)2,2,10,tetragonal,I4/mmm [139],0.383,.,MP,0.14,0.19,c,3.29,.,.,.,.,DFT,mp-1247156
MMD-2720,Mn2Co9N8,2,38,monoclinic,C2/m [12],0.203,.,MP,0.05,0.06,.,.,.,.,.,.,DFT,mp-1247229
MMD-2721,Fe5NiN4,2,20,orthorhombic,Pmmn [59],0.13,.,MP,0,0,.,.,.,.,.,.,DFT,mp-1247266
MMD-2722,Fe5CoN4,2,20,orthorhombic,Pmmn [59],0.099,.,MP,0.06,0.08,.,.,.,.,.,.,DFT,mp-1247267
MMD-2723,Mn3FeN3,2,14,hexagonal,P6_3/mmc [194],-0.169,.,MP,0.98,1.06,.,.,.,.,.,.,DFT,mp-1247277
MMD-2724,MnCo5N4,2,20,orthorhombic,Pmmn [59],0.079,.,MP,0,0,.,.,.,.,.,.,DFT,mp-1247289
MMD-2725,Mn(FeN)2,1,5,trigonal,P-3m1 [164],0.029,.,MP,0.55,0.7,ab plane,-0.28,.,.,.,.,DFT,mp-1247340
MMD-2726,Mn2FeN2,2,10,orthorhombic,Pmmn [59],-0.157,.,MP,1.11,1.39,c,1.25,2.85,1.6,.,.,DFT,mp-1247361
MMD-2727,MnFe5N4,2,20,orthorhombic,Pmmn [59],0.016,.,MP,0.01,0.02,.,.,.,.,.,.,DFT,mp-1247476
MMD-2728,Mn5CoN4,2,20,orthorhombic,Pmmn [59],-0.047,.,MP,0.12,0.15,.,.,.,.,.,.,DFT,mp-1247508
MMD-2729,Mn5FeN4,2,20,orthorhombic,Pmmn [59],-0.103,.,MP,0.7,0.86,b,0.39,-0.58,-0.97,.,.,DFT,mp-1247514
MMD-2730,Mn2AlCo,4,16,cubic,F-43m [216],-0.263,.,MP,0.5,0.49,a,.,.,.,0,.,DFT,mp-13079
MMD-2731,Mn2CoSi,4,16,cubic,F-43m [216],-0.356,.,MP,0.75,0.79,<111>,.,.,.,-0.03,.,DFT,mp-13082
MMD-2732,FeNiPt2,1,4,tetragonal,P4/mmm [123],-0.213,0 (stable),MP,1.2,1.01,c,2.15,.,.,.,.,DFT,mp-13463
MMD-2733,MnCoSi,4,12,orthorhombic,Pnma [62],-0.443,.,MP,1.16,1.13,a,-0.28,0.15,0.43,.,.,DFT,mp-19809
MMD-2734,MnCo2Ge,4,16,cubic,Fm-3m [225],-0.234,0 (stable),MP,1.25,1.23,a,.,.,.,0,.,DFT,mp-19850
MMD-2735,MnNiGe,4,12,orthorhombic,Pnma [62],-0.24,0 (stable),MP,0.99,0.88,a,-0.67,-0.53,0.13,.,.,DFT,mp-20007
MMD-2736,Mn2GaCo,4,16,cubic,F-43m [216],0.033,.,MP,1.18,1.07,<111>,.,.,.,-0.26,.,DFT,mp-20160
MMD-2737,MnGaNi2,4,16,cubic,Fm-3m [225],-0.267,.,MP,1.03,0.99,a,.,.,.,0,.,DFT,mp-20228
MMD-2738,MnCoP,4,12,orthorhombic,Pnma [62],-0.632,0 (stable),MP,0.99,1.02,a,-0.67,-0.38,0.3,.,.,DFT,mp-20249
MMD-2739,Mn3NiN,1,5,cubic,Pm-3m [221],-0.124,.,MP,1.77,1.82,<111>,.,.,.,0,.,DFT,mp-20362
MMD-2740,Mn2Co2C,1,5,tetragonal,P4/mmm [123],0.322,.,MP,0.01,0.02,.,.,.,.,.,.,DFT,mp-20441
MMD-2741,GaCo2Ni,1,4,tetragonal,P4/mmm [123],-0.11,.,MP,0.76,0.76,ab plane,-0.12,.,.,.,.,DFT,mp-20551
MMD-2742,MnCoGe,2,6,hexagonal,P6_3/mmc [194],-0.165,.,MP,1.04,0.97,c,0.43,.,.,.,.,DFT,mp-20565
MMD-2743,MnSiNi,4,12,orthorhombic,Pnma [62],-0.48,0 (stable),MP,0.93,0.91,a,-0.66,-0.57,0.08,.,.,DFT,mp-20949
MMD-2744,MnNiGe,2,6,hexagonal,P6_3/mmc [194],-0.211,.,MP,0.99,0.9,c,0.18,.,.,.,.,DFT,mp-21090
MMD-2745,MnGaCo2,4,16,cubic,Fm-3m [225],-0.211,0 (stable),MP,1.03,1.03,a,.,.,.,0,.,DFT,mp-21171
MMD-2746,MnCoGe,4,12,orthorhombic,Pnma [62],-0.178,.,MP,1.24,1.11,a,-0.22,0.08,0.31,.,.,DFT,mp-21286
MMD-2747,Mn6Ni16As7,4,116,cubic,Fm-3m [225],-0.181,.,MP,0.85,0.79,.,.,.,.,.,.,DFT,mp-21628
MMD-2748,Mn3(Ni10P3)2,4,116,cubic,Fm-3m [225],-0.363,.,MP,0.49,0.5,.,.,.,.,.,.,DFT,mp-21642
MMD-2749,MnNi2Ge,4,16,cubic,Fm-3m [225],-0.205,.,MP,0.99,0.95,a,.,.,.,0,.,DFT,mp-22029
MMD-2750,Mn2CoGe,4,16,cubic,F-43m [216],-0.136,.,MP,0.75,0.74,a,.,.,.,0,.,DFT,mp-22289
MMD-2751,Mn6Si7Ni16,4,116,cubic,Fm-3m [225],-0.425,0 (stable),MP,0.78,0.77,.,.,.,.,.,.,DFT,mp-22290
MMD-2752,FeCo2Ge,4,16,cubic,Fm-3m [225],-0.156,0 (stable),MP,1.4,1.39,<111>,.,.,.,-0.01,.,DFT,mp-22300
MMD-2753,Mn6Ni16P7,4,116,cubic,Fm-3m [225],-0.413,.,MP,0.83,0.85,.,.,.,.,.,.,DFT,mp-22372
MMD-2754,Co2NiS4,8,56,cubic,Fd-3m [227],-0.482,0 (stable),MP,0,0,.,.,.,.,.,.,DFT,mp-22658
MMD-2755,Mn2Co3Ge,2,12,hexagonal,P6_3/mmc [194],-0.024,.,MP,1.86,1.71,c,0.3,.,.,.,.,DFT,mp-22702
MMD-2756,Fe2CoGe,4,16,cubic,Fm-3m [225],-0.01,.,MP,1.35,1.34,a,.,.,.,0.01,.,DFT,mp-30044
MMD-2757,Mn6Al31Ni2,4,156,orthorhombic,Cmcm [63],-0.219,.,MP,0.02,0.02,.,.,.,.,.,.,DFT,mp-30179
MMD-2758,GaFeCo2,4,16,cubic,Fm-3m [225],-0.214,0 (stable),MP,1.26,1.26,<111>,.,.,.,0,.,DFT,mp-30551
MMD-2759,MnAlFe2,4,16,cubic,Fm-3m [225],-0.188,0 (stable),MP,0.5,0.51,a,.,.,.,0.67,.,DFT,mp-31185
MMD-2760,AlFe2Ni,4,16,cubic,Fm-3m [225],-0.097,.,MP,1.11,1.1,a,.,.,.,0,.,DFT,mp-31186
MMD-2761,MnAlCo2,4,16,cubic,Fm-3m [225],-0.354,0 (stable),MP,1.01,1.01,a,.,.,.,0,.,DFT,mp-3623
MMD-2762,MnFeAs,3,9,hexagonal,P-62m [189],-0.17,0 (stable),MP,1.42,1.27,ab plane,-0.18,.,.,.,.,DFT,mp-4238
MMD-2763,MnCo2Si,4,16,cubic,Fm-3m [225],-0.438,0 (stable),MP,1.25,1.3,<111>,.,.,.,0,.,DFT,mp-4492
MMD-2764,MnAlNi2,4,16,cubic,Fm-3m [225],-0.395,0 (stable),MP,1.04,1,a,.,.,.,0,.,DFT,mp-4922
MMD-2765,Fe(NiS2)2,8,56,cubic,Fd-3m [227],-0.382,.,MP,0.05,0.04,.,.,.,.,.,.,DFT,mp-505522
MMD-2766,MnFeAs,2,6,tetragonal,P4/nmm [129],-0.112,.,MP,1.34,1.15,ab plane,-0.68,.,.,.,.,DFT,mp-505803
MMD-2767,FeCo2Si,4,16,cubic,Fm-3m [225],-0.359,.,MP,1.36,1.42,<111>,.,.,.,-0.01,.,DFT,mp-5436
MMD-2768,MnFe2Si,4,16,cubic,Fm-3m [225],-0.335,0 (stable),MP,0.75,0.8,a,.,.,.,0.01,.,DFT,mp-5529
MMD-2769,MnSiNi,2,6,hexagonal,P6_3/mmc [194],-0.244,.,MP,0.71,0.72,c,0.27,.,.,.,.,DFT,mp-567353
MMD-2770,Fe3NiN,1,5,cubic,Pm-3m [221],-0.053,.,MP,1.6,1.74,<111>,.,.,.,0,.,DFT,mp-567703
MMD-2771,Fe2NiP,8,32,tetragonal,I-4 [82],-0.383,.,MP,0.94,1,c,0.11,.,.,.,.,DFT,mp-571370
MMD-2772,MnNiGe,2,6,hexagonal,P6_3/mmc [194],0.087,.,MP,1.24,1.08,c,1.21,.,.,.,.,DFT,mp-583202
MMD-2773,MnGaNi2,2,8,tetragonal,I4/mmm [139],-0.274,0 (stable),MP,1.04,1,ab plane,-1.56,.,.,.,.,DFT,mp-601285
MMD-2774,MnGaNi2,14,56,orthorhombic,Pnnm [58],-0.27,.,MP,1.04,1.01,.,.,.,.,.,.,DFT,mp-606675
MMD-2775,GaFe2Ni,4,16,cubic,Fm-3m [225],-0.008,.,MP,1.24,1.2,a,.,.,.,0,.,DFT,mp-622990
MMD-2776,MnGa2Co,4,16,cubic,Fm-3m [225],-0.063,.,MP,0.44,0.42,<111>,.,.,.,0,.,DFT,mp-623453
MMD-2777,FeNiN,1,3,tetragonal,P4/mmm [123],0.026,.,MP,0.8,0.96,ab plane,-2.58,.,.,.,.,DFT,mp-629397
MMD-2778,FeNiMo,4,12,cubic,F-43m [216],0.554,.,MP,0.25,0.2,a,.,.,.,0,.,DFT,mp-631256
MMD-2779,GaFe2Co,4,16,cubic,Fm-3m [225],-0.039,.,MP,1.54,1.49,a,.,.,.,0.01,.,DFT,mp-636212
MMD-2780,Mn3SiNi2,16,96,cubic,Fd-3m [227],-0.179,.,MP,1.81,1.67,.,.,.,.,.,.,DFT,mp-669554
MMD-2781,Co(NiS2)2,8,56,cubic,Fd-3m [227],-0.391,.,MP,0,0,.,.,.,.,.,.,DFT,mp-672235
MMD-2782,Co(NiS2)2,4,28,orthorhombic,Imma [74],-0.442,0 (stable),MP,0,0,.,.,.,.,.,.,DFT,mp-674355
MMD-2783,Co(NiS2)2,8,56,orthorhombic,Fdd2 [43],-0.325,.,MP,0,0,.,.,.,.,.,.,DFT,mp-674858
MMD-2784,FeCoAs,6,18,orthorhombic,Pmm2 [25],-0.1,.,MP,0.74,0.69,c,0.44,0.12,-0.31,.,.,DFT,mp-675526
MMD-2785,Fe2CoSe4,1,7,triclinic,P1 [1],-0.02,.,MP,0.48,0.34,.,.,.,.,.,.,DFT,mp-676089
MMD-2786,Fe2NiSe4,1,7,triclinic,P1 [1],-0.245,.,MP,0.46,0.33,.,.,.,.,.,.,DFT,mp-686717
MMD-2787,Ti2MnFe,4,16,cubic,Fm-3m [225],-0.336,0 (stable),MP,0.12,0.11,.,.,.,.,.,.,DFT,mp-861983
MMD-2788,Al2FeCo,4,16,cubic,Fm-3m [225],-0.468,.,MP,0,0,.,.,.,.,.,.,DFT,mp-862691
MMD-2789,Ti2MnCo,4,16,cubic,Fm-3m [225],-0.379,0 (stable),MP,0,0,.,.,.,.,.,.,DFT,mp-863690
MMD-2790,TiMnCo2,4,16,cubic,Fm-3m [225],-0.279,0 (stable),MP,1.24,1.16,a,.,.,.,0.01,.,DFT,mp-865537
MMD-2791,Ti2MnNi,4,16,cubic,Fm-3m [225],-0.335,0 (stable),MP,0,0,.,.,.,.,.,.,DFT,mp-865712
MMD-2792,Al2FeNi,4,16,cubic,Fm-3m [225],-0.5,.,MP,0.07,0.06,<111>,.,.,.,-0.01,.,DFT,mp-867330
MMD-2793,MnCoSi,4,12,cubic,F-43m [216],-0.206,.,MP,0.67,0.62,a,.,.,.,0,.,DFT,mp-961696
MMD-2794,MnNiP,3,9,hexagonal,P-62m [189],-0.536,0 (stable),MP,0.78,0.8,c,0,.,.,.,.,DFT,mp-975423
MMD-2795,Y(Mn2Fe)4,2,26,tetragonal,I4/mmm [139],0.098,.,MP,0.01,0.01,.,.,.,.,.,.,DFT,mp-982188
MMD-2796,MnSiNi2,4,16,cubic,Fm-3m [225],-0.351,.,MP,0.97,0.98,a,.,.,.,0,.,DFT,mp-999508
MMD-2797,Mn2SiNi,4,16,cubic,F-43m [216],-0.27,.,MP,0.94,0.97,a,.,.,.,0.09,.,DFT,mp-999558
MMD-2798,Ti2MnGe,4,16,cubic,F-43m [216],-0.236,.,MP,0,0,.,.,.,.,.,.,DFT,mp-1018015
MMD-2799,MnCuAs,2,6,tetragonal,P4/nmm [129],0.004,.,MP,1.2,0.96,.,.,.,.,.,.,DFT,mp-1018800
MMD-2800,MnGaGe,2,6,tetragonal,P4/nmm [129],-0.095,.,MP,0.71,0.54,.,.,.,.,.,.,DFT,mp-1018802
MMD-2801,Mn(NbS2)3,2,20,hexagonal,P6_322 [182],-1.101,0 (stable),MP,0.42,0.27,.,.,.,.,.,.,DFT,mp-10199
MMD-2802,Mn(CrSe2)2,2,14,monoclinic,C2/m [12],-0.502,0 (stable),MP,1.55,0.87,.,.,.,.,.,.,DFT,mp-1025180
MMD-2803,Mn(NbS2)2,1,7,trigonal,P-3m1 [164],-0.619,.,MP,0.35,0.22,.,.,.,.,.,.,DFT,mp-1025312
MMD-2804,Mn(AlS2)2,3,21,trigonal,R3m [160],-0.839,.,MP,0.66,0.38,.,.,.,.,.,.,DFT,mp-1025314
MMD-2805,MnZn2N3,4,24,orthorhombic,Cmc2_1 [36],-0.025,0 (stable),MP,0.32,0.32,.,.,.,.,.,.,DFT,mp-1029354
MMD-2806,Ti2MnGa,4,16,cubic,F-43m [216],-0.169,.,MP,0,0,.,.,.,.,.,.,DFT,mp-1064731
MMD-2807,Mn2CuGe,4,16,cubic,F-43m [216],0.155,.,MP,0.99,0.87,.,.,.,.,.,.,DFT,mp-1065918
MMD-2808,Mn(CrS2)2,2,14,monoclinic,C2/m [12],-0.629,.,MP,0.92,0.69,.,.,.,.,.,.,DFT,mp-1078000
MMD-2809,Mn(GaSe2)2,2,14,tetragonal,I-42m [121],-0.54,.,MP,0.71,0.32,.,.,.,.,.,.,DFT,mp-1078002
MMD-2810,Mn2B4Mo,2,14,orthorhombic,Immm [71],-0.466,.,MP,0.5,0.68,.,.,.,.,.,.,DFT,mp-1078108
MMD-2811,Mn(GaS2)2,3,21,trigonal,R3m [160],-0.364,.,MP,0.01,0.01,.,.,.,.,.,.,DFT,mp-1078110
MMD-2812,Mn2Ga2S5,1,9,trigonal,P-3m1 [164],-0.592,.,MP,1.07,0.61,.,.,.,.,.,.,DFT,mp-1078896
MMD-2813,ScMnGe,3,9,hexagonal,P-62m [189],-0.558,0 (stable),MP,0.71,0.51,.,.,.,.,.,.,DFT,mp-1079729
MMD-2814,TiMnAs,3,9,hexagonal,P-62m [189],-0.381,.,MP,0.97,0.71,.,.,.,.,.,.,DFT,mp-1079806
MMD-2815,Mn2AlV,4,16,cubic,Fm-3m [225],-0.308,0 (stable),MP,0.5,0.47,.,.,.,.,.,.,DFT,mp-10895
MMD-2816,Y(MnAl2)4,2,26,tetragonal,I4/mmm [139],-0.319,0 (stable),MP,0.42,0.34,.,.,.,.,.,.,DFT,mp-10896
MMD-2817,Mn(BMo)2,2,10,tetragonal,P4/mbm [127],-0.47,.,MP,0.44,0.49,.,.,.,.,.,.,DFT,mp-1092278
MMD-2818,Mn2ZnSe4,8,56,cubic,Fd-3m [227],-0.488,0 (stable),MP,1.12,0.6,.,.,.,.,.,.,DFT,mp-1103546
MMD-2819,Mn2ZnS4,8,56,cubic,Fd-3m [227],-0.603,.,MP,1.11,0.69,.,.,.,.,.,.,DFT,mp-1104162
MMD-2820,Mn(AlS2)2,8,56,cubic,Fd-3m [227],-0.96,0 (stable),MP,0.71,0.44,.,.,.,.,.,.,DFT,mp-1104783
MMD-2821,Mn(Mo3Se4)2,3,45,trigonal,R-3 [148],-0.457,.,MP,0.29,0.17,.,.,.,.,.,.,DFT,mp-1105059
MMD-2822,Mn3V2Si3,2,16,hexagonal,P6_3/mcm [193],-0.348,.,MP,0.84,0.75,.,.,.,.,.,.,DFT,mp-1180331
MMD-2823,Mn2CrSi,4,16,cubic,Fm-3m [225],-0.316,.,MP,0,0,.,.,.,.,.,.,DFT,mp-1185616
MMD-2824,Mn2NbGa,4,16,cubic,Fm-3m [225],-0.161,.,MP,0.5,0.43,.,.,.,.,.,.,DFT,mp-1185972
MMD-2825,Mn(NbSe2)3,2,20,hexagonal,P6_322 [182],-0.795,.,MP,0.4,0.24,.,.,.,.,.,.,DFT,mp-1189932
MMD-2826,Sc2Mn12P7,1,21,hexagonal,P-6 [174],-0.707,0 (stable),MP,0.9,0.85,.,.,.,.,.,.,DFT,mp-1190950
MMD-2827,Zr3(MnGa3)2,2,22,orthorhombic,Pmmn [59],-0.461,0 (stable),MP,0.35,0.24,.,.,.,.,.,.,DFT,mp-1191025
MMD-2828,YMnB4,4,24,orthorhombic,Pbam [55],-0.656,0 (stable),MP,0.16,0.19,.,.,.,.,.,.,DFT,mp-1191988
MMD-2829,Y3MnB7,4,44,orthorhombic,Cmcm [63],-0.618,0 (stable),MP,0.02,0.02,.,.,.,.,.,.,DFT,mp-1192224
MMD-2830,Mn5SiC,8,56,orthorhombic,Cmc2_1 [36],-0.187,.,MP,0.72,0.8,.,.,.,.,.,.,DFT,mp-1192695
MMD-2831,Mn20(MoC2)3,4,116,cubic,Fm-3m [225],-0.091,.,MP,0.53,0.61,.,.,.,.,.,.,DFT,mp-1193216
MMD-2832,Mn(NbSe2)4,2,26,hexagonal,P6_3/mmc [194],-0.866,0 (stable),MP,0.3,0.16,.,.,.,.,.,.,DFT,mp-1193575
MMD-2833,Mn(NbS2)2,4,28,orthorhombic,Pnma [62],-0.742,.,MP,0.66,0.45,.,.,.,.,.,.,DFT,mp-1193946
MMD-2834,Zr2Mn4P3,4,36,hexagonal,P-62m [189],-0.873,0 (stable),MP,0.77,0.65,.,.,.,.,.,.,DFT,mp-1196264
MMD-2835,Mn8Si8Mo3,4,76,orthorhombic,Pnma [62],-0.414,0 (stable),MP,0.46,0.43,.,.,.,.,.,.,DFT,mp-1197207
MMD-2836,Y10Mn13C18,2,82,cubic,I-43m [217],-0.378,0 (stable),MP,0.12,0.11,.,.,.,.,.,.,DFT,mp-1197605
MMD-2837,ZrMnSi2,12,48,orthorhombic,Pbam [55],-0.693,.,MP,0.27,0.21,.,.,.,.,.,.,DFT,mp-1197723
MMD-2838,Y2Mn3Si5,4,40,tetragonal,P4/mnc [128],-0.624,0 (stable),MP,0.23,0.18,.,.,.,.,.,.,DFT,mp-1198388
MMD-2839,TiMnGe2,12,48,orthorhombic,Pbam [55],-0.415,0 (stable),MP,0.36,0.29,.,.,.,.,.,.,DFT,mp-1204392
MMD-2840,ScMnSi2,12,48,orthorhombic,Pbam [55],-0.65,0 (stable),MP,0.19,0.15,.,.,.,.,.,.,DFT,mp-1205070
MMD-2841,Mn3GeN,4,20,tetragonal,I4/mcm [140],-0.193,.,MP,1.06,1.11,.,.,.,.,.,.,DFT,mp-1205588
MMD-2842,TiMnAs,3,9,hexagonal,P-62m [189],-0.635,0 (stable),MP,0.22,0.18,.,.,.,.,.,.,DFT,mp-1205741
MMD-2843,MnGeAs2,4,16,tetragonal,I-42d [122],0.059,.,MP,1.14,0.55,.,.,.,.,.,.,DFT,mp-1206018
MMD-2844,MnSiAs2,4,16,tetragonal,I-42d [122],0.33,.,MP,0.25,0.13,.,.,.,.,.,.,DFT,mp-1206238
MMD-2845,MnGeP2,4,16,tetragonal,I-42d [122],-0.02,.,MP,0.84,0.49,.,.,.,.,.,.,DFT,mp-1206503
MMD-2846,Mn3AsN,1,5,cubic,Pm-3m [221],-0.089,.,MP,0.88,0.92,.,.,.,.,.,.,DFT,mp-1206774
MMD-2847,TiMnP,3,9,hexagonal,P-62m [189],-1.014,0 (stable),MP,0.18,0.17,.,.,.,.,.,.,DFT,mp-1206854
MMD-2848,Mn3AlN,1,5,cubic,Pm-3m [221],-0.359,.,MP,0.57,0.62,.,.,.,.,.,.,DFT,mp-1207055
MMD-2849,MnSiP2,4,16,tetragonal,I-42d [122],-0.101,.,MP,1.2,0.7,.,.,.,.,.,.,DFT,mp-1207203
MMD-2850,Y2MnC4,4,28,orthorhombic,Ibam [72],-0.348,.,MP,0.12,0.11,.,.,.,.,.,.,DFT,mp-1207480
MMD-2851,Sc2Mn3Si,2,12,hexagonal,P6_3/mmc [194],-0.387,0 (stable),MP,0,0,.,.,.,.,.,.,DFT,mp-1209009
MMD-2852,Mn6Mo6P7,1,19,hexagonal,P-6 [174],-0.499,.,MP,0.66,0.58,.,.,.,.,.,.,DFT,mp-1210673
MMD-2853,Mn8(Al9Zn)3,4,152,orthorhombic,Cmcm [63],-0.159,.,MP,0.18,0.14,.,.,.,.,.,.,DFT,mp-1211131
MMD-2854,Mn6Al31Cu2,4,156,orthorhombic,Cmcm [63],-0.161,.,MP,0,0,.,.,.,.,.,.,DFT,mp-1211191
MMD-2855,ZrTiMn4,2,12,trigonal,P-3m1 [164],-0.22,.,MP,0.33,0.28,.,.,.,.,.,.,DFT,mp-1215230
MMD-2856,ZrMnCr,8,24,orthorhombic,Amm2 [38],-0.121,.,MP,0.14,0.11,.,.,.,.,.,.,DFT,mp-1215296
MMD-2857,Zr3TiMn8,1,12,trigonal,P3m1 [156],-0.203,.,MP,0.38,0.31,.,.,.,.,.,.,DFT,mp-1215398
MMD-2858,Zr3Mn8Al,1,12,trigonal,P3m1 [156],-0.208,0 (stable),MP,0.24,0.2,.,.,.,.,.,.,DFT,mp-1215704
MMD-2859,Zr3Mn8Si,1,12,trigonal,P3m1 [156],-0.178,.,MP,0.16,0.14,.,.,.,.,.,.,DFT,mp-1215733
MMD-2860,YMnAl,4,12,orthorhombic,Imma [74],-0.235,.,MP,0.9,0.54,.,.,.,.,.,.,DFT,mp-1215934
MMD-2861,ZrMnGa,8,24,orthorhombic,Amm2 [38],-0.355,.,MP,0.17,0.13,.,.,.,.,.,.,DFT,mp-1216045
MMD-2862,Y2MnS4,4,28,orthorhombic,Cmc2_1 [36],-1.633,.,MP,0.71,0.38,.,.,.,.,.,.,DFT,mp-1216082
MMD-2863,Y4MnS7,2,24,monoclinic,Cm [8],-1.821,.,MP,0.42,0.22,.,.,.,.,.,.,DFT,mp-1216113
MMD-2864,TiMnSi4,3,18,monoclinic,P2 [3],-0.397,.,MP,0.05,0.05,.,.,.,.,.,.,DFT,mp-1216867
MMD-2865,TiMnCr,8,24,orthorhombic,Amm2 [38],-0.195,0 (stable),MP,0,0,.,.,.,.,.,.,DFT,mp-1216946
MMD-2866,Ti5MnS10,1,16,trigonal,P-3m1 [164],-1.227,.,MP,0.21,0.13,.,.,.,.,.,.,DFT,mp-1217196
MMD-2867,Ti2Mn3V,4,24,orthorhombic,Amm2 [38],-0.239,.,MP,0,0,.,.,.,.,.,.,DFT,mp-1217200
MMD-2868,Ti4Mn5V3,2,24,orthorhombic,Amm2 [38],-0.231,0 (stable),MP,0,0,.,.,.,.,.,.,DFT,mp-1217201
MMD-2869,Ti4MnS8,1,13,trigonal,P-3m1 [164],-1.211,.,MP,0.26,0.16,.,.,.,.,.,.,DFT,mp-1217215
MMD-2870,ScMnCr,8,24,orthorhombic,Amm2 [38],-0.03,.,MP,0,0,.,.,.,.,.,.,DFT,mp-1219323
MMD-2871,Sc4MnSi7,1,12,orthorhombic,Pmm2 [25],-0.443,.,MP,0.13,0.09,.,.,.,.,.,.,DFT,mp-1219388
MMD-2872,MnZnSe2,3,12,trigonal,R3m [160],-0.531,0 (stable),MP,1.25,0.59,.,.,.,.,.,.,DFT,mp-1221500
MMD-2873,MnZnS2,1,4,trigonal,P3m1 [156],-0.657,.,MP,1.25,0.69,.,.,.,.,.,.,DFT,mp-1221502
MMD-2874,MnZnSe2,1,4,trigonal,P3m1 [156],-0.529,.,MP,1.25,0.59,.,.,.,.,.,.,DFT,mp-1221503
MMD-2875,MnZn4Se5,3,30,trigonal,R3m [160],-0.639,.,MP,0.5,0.24,.,.,.,.,.,.,DFT,mp-1221510
MMD-2876,MnZn4Se5,2,20,monoclinic,Cm [8],-0.645,0 (stable),MP,0.5,0.24,.,.,.,.,.,.,DFT,mp-1221515
MMD-2877,MnZnSe4,2,12,monoclinic,P2_1/c [14],-0.134,.,MP,0.19,0.1,.,.,.,.,.,.,DFT,mp-1221523
MMD-2878,MnZnS4,2,12,monoclinic,P2_1/c [14],-0.402,.,MP,0.17,0.12,.,.,.,.,.,.,DFT,mp-1221529
MMD-2879,MnZn4S5,4,40,monoclinic,Cm [8],-0.755,.,MP,0.5,0.28,.,.,.,.,.,.,DFT,mp-1221530
MMD-2880,MnZn4S5,2,20,trigonal,P3m1 [156],-0.751,.,MP,0.5,0.28,.,.,.,.,.,.,DFT,mp-1221533
MMD-2881,MnZn3S4,1,8,trigonal,P3m1 [156],-0.737,.,MP,0.62,0.35,.,.,.,.,.,.,DFT,mp-1221534
MMD-2882,Mn2SeS,3,12,trigonal,R-3m [166],-0.084,.,MP,0.92,0.75,.,.,.,.,.,.,DFT,mp-1221540
MMD-2883,Mn5Si2Ge,4,32,orthorhombic,Amm2 [38],-0.236,.,MP,1.5,1.37,.,.,.,.,.,.,DFT,mp-1221552
MMD-2884,MnVP2,2,8,orthorhombic,Pmc2_1 [26],-0.679,.,MP,0,0,.,.,.,.,.,.,DFT,mp-1221555
MMD-2885,MnMoAs2,2,8,orthorhombic,Pmn2_1 [31],-0.232,.,MP,0.73,0.53,.,.,.,.,.,.,DFT,mp-1221596
MMD-2886,MnAlV2,4,16,cubic,F-43m [216],-0.151,.,MP,0.5,0.44,.,.,.,.,.,.,DFT,mp-1221624
MMD-2887,MnCrB2,2,8,orthorhombic,Amm2 [38],-0.488,.,MP,0.5,0.69,.,.,.,.,.,.,DFT,mp-1221636
MMD-2888,MnAl2Cu,1,4,tetragonal,P4/mmm [123],-0.24,.,MP,0.55,0.48,.,.,.,.,.,.,DFT,mp-1221660
MMD-2889,MnAl2Cr3,1,6,tetragonal,P4mm [99],-0.167,0 (stable),MP,0,0,.,.,.,.,.,.,DFT,mp-1221662
MMD-2890,MnCrP2,2,8,orthorhombic,Pmc2_1 [26],-0.56,.,MP,0.33,0.32,.,.,.,.,.,.,DFT,mp-1221673
MMD-2891,MnCrSi2,2,8,monoclinic,P2_1 [4],-0.368,.,MP,0.47,0.46,.,.,.,.,.,.,DFT,mp-1221675
MMD-2892,MnCuSe4,2,12,monoclinic,P2_1/c [14],-0.2,0 (stable),MP,0.65,0.37,.,.,.,.,.,.,DFT,mp-1221692
MMD-2893,MnVS2,3,12,trigonal,R-3m [166],-0.554,.,MP,1.82,1.3,.,.,.,.,.,.,DFT,mp-1221701
MMD-2894,Mn5Al2V,3,24,trigonal,R-3m [166],-0.184,.,MP,0.72,0.69,.,.,.,.,.,.,DFT,mp-1221708
MMD-2895,MnAl24Cr,2,52,monoclinic,C2/m [12],-0.077,0 (stable),MP,0,0,.,.,.,.,.,.,DFT,mp-1221714
MMD-2896,Mn3CrP4,1,8,monoclinic,Pm [6],-0.588,.,MP,0.69,0.66,.,.,.,.,.,.,DFT,mp-1221731
MMD-2897,MnB4Mo3,1,8,monoclinic,Pm [6],-0.462,.,MP,0.24,0.28,.,.,.,.,.,.,DFT,mp-1221732
MMD-2898,Mn3VP4,1,8,monoclinic,Pm [6],-0.622,.,MP,0.56,0.53,.,.,.,.,.,.,DFT,mp-1221742
MMD-2899,Mn8Nb3Al,1,12,trigonal,P3m1 [156],-0.196,0 (stable),MP,0.09,0.09,.,.,.,.,.,.,DFT,mp-1221748
MMD-2900,Mn2SiMo,6,24,monoclinic,Cm [8],-0.186,.,MP,0.05,0.05,.,.,.,.,.,.,DFT,mp-1221757
MMD-2901,Mn4AsP3,1,8,monoclinic,Pm [6],-0.497,.,MP,0.74,0.68,.,.,.,.,.,.,DFT,mp-1221760
MMD-2902,Mn4VSe5,3,30,trigonal,R-3m [166],-0.348,.,MP,2.18,1.29,.,.,.,.,.,.,DFT,mp-1221782
MMD-2903,Mn8Nb3Si,1,12,trigonal,P3m1 [156],-0.161,.,MP,0.14,0.13,.,.,.,.,.,.,DFT,mp-1221787
MMD-2904,Mn3CrAs4,1,8,monoclinic,Pm [6],-0.226,.,MP,0.89,0.72,.,.,.,.,.,.,DFT,mp-1221789
MMD-2905,Mn3Al2V3,3,24,trigonal,R3m [160],-0.229,.,MP,0.71,0.64,.,.,.,.,.,.,DFT,mp-1221807
MMD-2906,Mn3B4Mo3,2,20,orthorhombic,Amm2 [38],-0.43,.,MP,0.51,0.59,.,.,.,.,.,.,DFT,mp-1221842
MMD-2907,Mn3Cr3P2,4,32,monoclinic,C2 [5],-0.368,.,MP,0.1,0.11,.,.,.,.,.,.,DFT,mp-1221876
MMD-2908,Mn2AlCu3,3,18,trigonal,R-3m [166],0.044,.,MP,1.24,1.08,.,.,.,.,.,.,DFT,mp-1221881
MMD-2909,Mn2GaCu3,3,18,trigonal,R-3m [166],0.085,.,MP,1.26,1.09,.,.,.,.,.,.,DFT,mp-1221894
MMD-2910,Mn3V17Si12,2,64,orthorhombic,Amm2 [38],-0.561,.,MP,0,0,.,.,.,.,.,.,DFT,mp-1221900
MMD-2911,Mn2Al2Cu,2,10,tetragonal,I4mm [107],-0.018,.,MP,0.18,0.17,.,.,.,.,.,.,DFT,mp-1221904
MMD-2912,Mn2AsP,2,8,orthorhombic,Pmc2_1 [26],-0.389,.,MP,0.79,0.69,.,.,.,.,.,.,DFT,mp-1221923
MMD-2913,Mn(VSi3)2,2,18,orthorhombic,C222 [21],-0.425,.,MP,0.08,0.08,.,.,.,.,.,.,DFT,mp-1221935
MMD-2914,Mn6GaGe,1,8,hexagonal,P-6m2 [187],0.007,.,MP,1.12,1.08,.,.,.,.,.,.,DFT,mp-1221938
MMD-2915,Mn(GaS2)2,1,7,monoclinic,Pm [6],-0.6,.,MP,0.71,0.37,.,.,.,.,.,.,DFT,mp-1221975
MMD-2916,Mn2CrSe3,2,12,orthorhombic,Immm [71],-0.321,.,MP,2.19,1.31,.,.,.,.,.,.,DFT,mp-1221987
MMD-2917,MnVGa5,4,28,orthorhombic,Cmmm [65],-0.157,.,MP,0.38,0.29,.,.,.,.,.,.,DFT,mp-1222000
MMD-2918,Mn(CuSe)2,16,80,cubic,F-43m [216],-0.159,.,MP,1,0.62,.,.,.,.,.,.,DFT,mp-1222020
MMD-2919,Mn10C3N,1,14,trigonal,P3m1 [156],0.048,.,MP,1.67,1.82,.,.,.,.,.,.,DFT,mp-1222027
MMD-2920,Mn2GaCu3,2,12,hexagonal,P6_3/mmc [194],0.075,.,MP,1.28,1.09,.,.,.,.,.,.,DFT,mp-1222029
MMD-2921,Mn(CuS)2,16,80,cubic,F-43m [216],-0.197,.,MP,1,0.71,.,.,.,.,.,.,DFT,mp-1222040
MMD-2922,Mn4Ga3Cu2,2,18,hexagonal,P-6m2 [187],0.021,.,MP,1.08,0.93,.,.,.,.,.,.,DFT,mp-1222076
MMD-2923,Mn2CrAs3,4,24,monoclinic,Pm [6],-0.22,.,MP,0.91,0.73,.,.,.,.,.,.,DFT,mp-1222085
MMD-2924,Mn2Cu3Ge,2,12,hexagonal,P6_3/mmc [194],0.092,.,MP,1.25,1.09,.,.,.,.,.,.,DFT,mp-1222088
MMD-2925,Mn12SiP3,1,16,triclinic,P1 [1],-0.307,.,MP,0.33,0.34,.,.,.,.,.,.,DFT,mp-1222102
MMD-2926,Mn10CuGe5,2,32,tetragonal,I422 [97],-0.021,.,MP,1.59,1.4,.,.,.,.,.,.,DFT,mp-1222132
MMD-2927,Mn10(SiGe)3,1,16,hexagonal,P-62m [189],-0.191,.,MP,1.55,1.39,.,.,.,.,.,.,DFT,mp-1222206
MMD-2928,Mn20Si12C,1,33,monoclinic,P2/m [10],-0.343,.,MP,1.29,1.26,.,.,.,.,.,.,DFT,mp-1222227
MMD-2929,Mn2Cr13S20,1,35,triclinic,P-1 [2],-0.645,.,MP,0.8,0.61,.,.,.,.,.,.,DFT,mp-1222474
MMD-2930,Mn12Ge4N3,1,19,tetragonal,P4/m [83],-0.189,0 (stable),MP,0.74,0.79,.,.,.,.,.,.,DFT,mp-1222504
MMD-2931,Mn31Si11P,1,43,trigonal,P3 [143],-0.221,.,MP,0.9,0.9,.,.,.,.,.,.,DFT,mp-1222619
MMD-2932,MnCN2,3,12,trigonal,R-3m [166],-0.004,.,MP,1.25,1.24,.,.,.,.,.,.,DFT,mp-12335
MMD-2933,Mn11(CN5)2,2,46,tetragonal,P4_2/mnm [136],0.071,.,MP,1.11,1.28,.,.,.,.,.,.,DFT,mp-1245334
MMD-2934,YMnN2,16,64,orthorhombic,Pbca [61],-0.783,.,MP,0.32,0.25,.,.,.,.,.,.,DFT,mp-1245344
MMD-2935,Mn3SiN4,2,16,orthorhombic,Pmn2_1 [31],-0.326,.,MP,0.89,1.04,.,.,.,.,.,.,DFT,mp-1245396
MMD-2936,MnGaN2,16,64,orthorhombic,Pbca [61],-0.088,.,MP,0.62,0.62,.,.,.,.,.,.,DFT,mp-1245398
MMD-2937,MnCrN2,3,12,trigonal,R3m [160],-0.311,.,MP,0.61,0.85,.,.,.,.,.,.,DFT,mp-1245401
MMD-2938,MnCrN2,4,16,orthorhombic,Pna2_1 [33],-0.269,.,MP,0.03,0.04,.,.,.,.,.,.,DFT,mp-1245441
MMD-2939,Mn2NbN3,4,24,orthorhombic,Cmc2_1 [36],-0.402,.,MP,0.19,0.21,.,.,.,.,.,.,DFT,mp-1245448
MMD-2940,Mn3V8N9,4,80,monoclinic,P2_1/c [14],-0.789,.,MP,0.22,0.27,.,.,.,.,.,.,DFT,mp-1245484
MMD-2941,Mn(CN)2,2,10,cubic,P-43m [215],0.256,.,MP,1,0.51,.,.,.,.,.,.,DFT,mp-1245492
MMD-2942,MnZnN2,16,64,orthorhombic,Pbca [61],0.024,.,MP,0.22,0.22,.,.,.,.,.,.,DFT,mp-1245494
MMD-2943,Mn2VN3,4,24,orthorhombic,Cmcm [63],-0.486,.,MP,0.85,0.97,.,.,.,.,.,.,DFT,mp-1245505
MMD-2944,MnZnN2,4,16,orthorhombic,Pna2_1 [33],-0.047,.,MP,0.24,0.26,.,.,.,.,.,.,DFT,mp-1245537
MMD-2945,MnZnN2,4,16,tetragonal,I-42d [122],-0.061,.,MP,0.31,0.32,.,.,.,.,.,.,DFT,mp-1245538
MMD-2946,ZrMnN2,3,12,trigonal,R-3m [166],-0.882,.,MP,0.26,0.31,.,.,.,.,.,.,DFT,mp-1245560
MMD-2947,MnAlN2,4,16,tetragonal,I-42d [122],-0.618,.,MP,0.97,1,.,.,.,.,.,.,DFT,mp-1245566
MMD-2948,Mn4Se3N2,4,36,orthorhombic,Pnma [62],-0.2,.,MP,1.32,0.98,.,.,.,.,.,.,DFT,mp-1245570
MMD-2949,Mn7SiN6,4,56,orthorhombic,Pbcn [60],-0.055,.,MP,0.2,0.24,.,.,.,.,.,.,DFT,mp-1245612
MMD-2950,MnAl2N3,4,24,orthorhombic,Cmc2_1 [36],-0.86,.,MP,0.67,0.7,.,.,.,.,.,.,DFT,mp-1245638
MMD-2951,TiMnN2,4,16,orthorhombic,Pnma [62],-0.94,.,MP,0.83,0.88,.,.,.,.,.,.,DFT,mp-1245699
MMD-2952,Mn(C4N3)2,2,30,orthorhombic,Pmna [53],0.307,.,MP,0.07,0.06,.,.,.,.,.,.,DFT,mp-1245734
MMD-2953,Ti(MnN)4,2,18,triclinic,P-1 [2],-0.417,.,MP,1.03,1.21,.,.,.,.,.,.,DFT,mp-1245741
MMD-2954,Mn5(SiN3)3,8,136,orthorhombic,Cmce [64],-0.123,.,MP,0.91,0.88,.,.,.,.,.,.,DFT,mp-1245771
MMD-2955,MnGaN2,2,8,orthorhombic,Pmma [51],0.36,.,MP,0.67,0.73,.,.,.,.,.,.,DFT,mp-1245806
MMD-2956,MnGe7N10,2,36,monoclinic,Pc [7],0.133,.,MP,0.28,0.23,.,.,.,.,.,.,DFT,mp-1245837
MMD-2957,Mn3CrN3,2,14,hexagonal,P6_3/mmc [194],-0.257,.,MP,0.97,1.05,.,.,.,.,.,.,DFT,mp-1245850
MMD-2958,MnVN2,3,12,trigonal,R3m [160],-0.549,.,MP,0.42,0.47,.,.,.,.,.,.,DFT,mp-1245875
MMD-2959,Mn3Ga3N5,2,22,triclinic,P-1 [2],-0.009,.,MP,0.25,0.24,.,.,.,.,.,.,DFT,mp-1245881
MMD-2960,MnGa2N3,4,24,orthorhombic,Cmc2_1 [36],-0.205,.,MP,0.67,0.66,.,.,.,.,.,.,DFT,mp-1245903
MMD-2961,Mn4VN4,2,18,triclinic,P-1 [2],-0.345,.,MP,0.8,0.99,.,.,.,.,.,.,DFT,mp-1245928
MMD-2962,Mn(C2N3)3,4,64,orthorhombic,Cmcm [63],0.378,.,MP,0.12,0.09,.,.,.,.,.,.,DFT,mp-1245977
MMD-2963,Mn3(ZnN)8,2,38,monoclinic,C2/m [12],0.16,.,MP,0.47,0.41,.,.,.,.,.,.,DFT,mp-1246028
MMD-2964,Mn10CrN9,4,80,monoclinic,P2_1/c [14],-0.107,.,MP,0.45,0.55,.,.,.,.,.,.,DFT,mp-1246030
MMD-2965,Y2Mn3N4,4,36,monoclinic,C2/c [15],-0.781,.,MP,0.16,0.15,.,.,.,.,.,.,DFT,mp-1246072
MMD-2966,Mn10ZnN8,2,38,monoclinic,C2/m [12],-0.083,.,MP,0.96,1.08,.,.,.,.,.,.,DFT,mp-1246108
MMD-2967,Mn2Si5N8,8,120,orthorhombic,Pbca [61],-0.738,.,MP,0.67,0.66,.,.,.,.,.,.,DFT,mp-1246181
MMD-2968,Mn3Si6N11,2,40,tetragonal,P4bm [100],-0.484,.,MP,0.6,0.61,.,.,.,.,.,.,DFT,mp-1246222
MMD-2969,MnZn5N4,2,20,orthorhombic,Pmmn [59],0.176,.,MP,0.29,0.26,.,.,.,.,.,.,DFT,mp-1246273
MMD-2970,MnSi7N10,2,36,monoclinic,Pc [7],-0.852,.,MP,0.28,0.27,.,.,.,.,.,.,DFT,mp-1246278
MMD-2971,TiMnN2,1,4,trigonal,P-3m1 [164],-0.848,.,MP,0.71,0.88,.,.,.,.,.,.,DFT,mp-1246293
MMD-2972,Sc(MnN)3,4,28,hexagonal,P6_3/mmc [194],-0.456,.,MP,0.95,0.87,.,.,.,.,.,.,DFT,mp-1246297
MMD-2973,MnVN2,4,16,orthorhombic,Pna2_1 [33],-0.516,.,MP,0.6,0.66,.,.,.,.,.,.,DFT,mp-1246419
MMD-2974,Mn3Zn8N9,4,80,monoclinic,P2_1/c [14],0.164,.,MP,0.3,0.28,.,.,.,.,.,.,DFT,mp-1246513
MMD-2975,Mn4S3N2,2,18,monoclinic,C2/m [12],-0.288,.,MP,1.17,0.99,.,.,.,.,.,.,DFT,mp-1246527
MMD-2976,Mn3(GaN2)2,4,36,monoclinic,C2/c [15],0.014,.,MP,0.33,0.36,.,.,.,.,.,.,DFT,mp-1246611
MMD-2977,Mn3(SeN)2,8,56,orthorhombic,Pnma [62],-0.133,.,MP,0.8,0.57,.,.,.,.,.,.,DFT,mp-1246650
MMD-2978,Zr(MnN)4,2,18,triclinic,P-1 [2],-0.447,.,MP,0.82,0.89,.,.,.,.,.,.,DFT,mp-1246691
MMD-2979,Mn3VN3,2,14,hexagonal,P6_3/mmc [194],-0.336,.,MP,1.09,1.12,.,.,.,.,.,.,DFT,mp-1246736
MMD-2980,Mn2CrN3,4,24,orthorhombic,Cmc2_1 [36],-0.271,.,MP,0.5,0.6,.,.,.,.,.,.,DFT,mp-1246797
MMD-2981,Mn3AlN3,2,14,monoclinic,P2_1/m [11],-0.239,.,MP,1.31,1.4,.,.,.,.,.,.,DFT,mp-1246896
MMD-2982,Mn3(CrN2)2,4,36,monoclinic,C2/c [15],-0.233,.,MP,0.34,0.39,.,.,.,.,.,.,DFT,mp-1246904
MMD-2983,Mn5(GeN3)2,4,52,monoclinic,C2/c [15],0.171,.,MP,0.36,0.38,.,.,.,.,.,.,DFT,mp-1246919
MMD-2984,Mn5CuN4,2,20,orthorhombic,Pmmn [59],-0.006,.,MP,0.65,0.74,.,.,.,.,.,.,DFT,mp-1246923
MMD-2985,Mn(C4N3)2,1,15,trigonal,P-3m1 [164],0.308,.,MP,0.07,0.05,.,.,.,.,.,.,DFT,mp-1246950
MMD-2986,Mn2(CN2)3,2,22,monoclinic,C2/m [12],0.1,.,MP,0.73,0.63,.,.,.,.,.,.,DFT,mp-1247177
MMD-2987,Mn10CuN8,2,38,monoclinic,C2/m [12],-0.18,.,MP,0.97,1.14,.,.,.,.,.,.,DFT,mp-1247185
MMD-2988,MnAlN2,16,64,orthorhombic,Pbca [61],-0.584,.,MP,0.62,0.65,.,.,.,.,.,.,DFT,mp-1247192
MMD-2989,Mn2SeN2,1,5,trigonal,P-3m1 [164],0.062,.,MP,0.18,0.19,.,.,.,.,.,.,DFT,mp-1247335
MMD-2990,Mn2Si4N7,4,52,orthorhombic,Cmc2_1 [36],-0.576,.,MP,0.69,0.75,.,.,.,.,.,.,DFT,mp-1247373
MMD-2991,Mn2CuN2,3,15,trigonal,R-3m [166],-0.062,.,MP,0.57,0.6,.,.,.,.,.,.,DFT,mp-1247448
MMD-2992,Mn3(SiN3)2,6,66,orthorhombic,Pnnm [58],-0.252,.,MP,0.89,0.97,.,.,.,.,.,.,DFT,mp-1247490
MMD-2993,Mn2CuN2,2,10,orthorhombic,Pmmn [59],-0.078,.,MP,1.15,1.36,.,.,.,.,.,.,DFT,mp-1247503
MMD-2994,ZrMnN2,4,16,orthorhombic,Pnma [62],-0.915,.,MP,1,0.89,.,.,.,.,.,.,DFT,mp-1247538
MMD-2995,Mn5B2P,4,32,tetragonal,I4/mcm [140],-0.468,0 (stable),MP,1.02,1.21,.,.,.,.,.,.,DFT,mp-12633
MMD-2996,Sc2MnSe4,8,56,cubic,Fd-3m [227],-1.345,0 (stable),MP,0.71,0.34,.,.,.,.,.,.,DFT,mp-14928
MMD-2997,Mn3ZnN,1,5,cubic,Pm-3m [221],-0.193,0 (stable),MP,0.84,0.89,.,.,.,.,.,.,DFT,mp-15805
MMD-2998,Mn3Mo3C,16,112,cubic,Fd-3m [227],-0.111,0 (stable),MP,0.16,0.15,.,.,.,.,.,.,DFT,mp-15812
MMD-2999,Mn3Al9Si,2,26,hexagonal,P6_3/mmc [194],-0.269,0 (stable),MP,0.2,0.16,.,.,.,.,.,.,DFT,mp-15819
MMD-3000,Mn(CrS2)2,8,56,cubic,Fd-3m [227],-0.713,0 (stable),MP,1.57,0.99,.,.,.,.,.,.,DFT,mp-15974
MMD-3001,Ti(MnP6)2,4,60,monoclinic,C2/c [15],-0.398,.,MP,0.03,0.02,.,.,.,.,.,.,DFT,mp-16977
MMD-3002,Mn2SiSe4,4,28,orthorhombic,Pnma [62],-0.391,0 (stable),MP,1.43,0.71,.,.,.,.,.,.,DFT,mp-17367
MMD-3003,Ti2Mn4Si5,4,44,orthorhombic,Ibam [72],-0.347,.,MP,0.55,0.49,.,.,.,.,.,.,DFT,mp-17553
MMD-3004,Mn2NbP12,4,60,monoclinic,C2/c [15],-0.387,0 (stable),MP,0.04,0.03,.,.,.,.,.,.,DFT,mp-17867
MMD-3005,Mn4Nb2Si5,4,44,orthorhombic,Ibam [72],-0.228,.,MP,0.87,0.71,.,.,.,.,.,.,DFT,mp-17893
MMD-3006,ZrMnSi2,12,48,orthorhombic,Immm [71],-0.697,.,MP,0.26,0.2,.,.,.,.,.,.,DFT,mp-18059
MMD-3007,Mn2MoP12,4,60,monoclinic,C2/c [15],-0.356,0 (stable),MP,0,0,.,.,.,.,.,.,DFT,mp-18302
MMD-3008,Mn5SiC,8,56,orthorhombic,Cmcm [63],-0.185,.,MP,0.68,0.76,.,.,.,.,.,.,DFT,mp-18468
MMD-3009,YMnGe,4,12,orthorhombic,Pnma [62],-0.498,.,MP,0.94,0.57,.,.,.,.,.,.,DFT,mp-19797
MMD-3010,Sc(MnGe)6,1,13,hexagonal,P6/mmm [191],-0.305,0 (stable),MP,0.89,0.73,.,.,.,.,.,.,DFT,mp-19936
MMD-3011,Mn(GaS2)2,2,14,tetragonal,I-4 [82],-0.655,0 (stable),MP,0.71,0.37,.,.,.,.,.,.,DFT,mp-20025
MMD-3012,ZrMnGe,4,12,orthorhombic,Pnma [62],-0.569,0 (stable),MP,0.81,0.56,.,.,.,.,.,.,DFT,mp-20059
MMD-3013,MnCuAs,4,12,orthorhombic,Pnma [62],0.031,.,MP,1.19,0.95,.,.,.,.,.,.,DFT,mp-20107
MMD-3014,ZrMnP,4,12,orthorhombic,Pnma [62],-1.047,0 (stable),MP,0.65,0.51,.,.,.,.,.,.,DFT,mp-20147
MMD-3015,Mn3GeC,1,5,cubic,Pm-3m [221],-0.071,.,MP,0.57,0.61,.,.,.,.,.,.,DFT,mp-20180
MMD-3016,MnCuP,4,12,orthorhombic,Pnma [62],-0.148,.,MP,0.97,0.9,.,.,.,.,.,.,DFT,mp-20203
MMD-3017,Mn(GaSe2)2,2,14,tetragonal,I-4 [82],-0.55,0 (stable),MP,0.71,0.33,.,.,.,.,.,.,DFT,mp-20261
MMD-3018,MnNbP,4,12,orthorhombic,Pnma [62],-0.826,0 (stable),MP,0.36,0.31,.,.,.,.,.,.,DFT,mp-20335
MMD-3019,Y(MnGe)2,2,10,tetragonal,I4/mmm [139],-0.479,0 (stable),MP,0.82,0.56,.,.,.,.,.,.,DFT,mp-20649
MMD-3020,MnGeN2,4,16,orthorhombic,Pna2_1 [33],-0.014,.,MP,1.25,1.18,.,.,.,.,.,.,DFT,mp-20692
MMD-3021,MnAlGe,2,6,tetragonal,P4/nmm [129],-0.195,0 (stable),MP,0.67,0.52,.,.,.,.,.,.,DFT,mp-20757
MMD-3022,MnVAs,2,6,tetragonal,P4/nmm [129],-0.231,.,MP,1.05,0.85,.,.,.,.,.,.,DFT,mp-20791
MMD-3023,Mn2VGa,4,16,cubic,Fm-3m [225],-0.209,0 (stable),MP,0.5,0.46,.,.,.,.,.,.,DFT,mp-21235
MMD-3024,YMnSi,2,6,tetragonal,P4/nmm [129],-0.586,0 (stable),MP,0.62,0.39,.,.,.,.,.,.,DFT,mp-21249
MMD-3025,Mn3GaC,1,5,cubic,Pm-3m [221],-0.127,0 (stable),MP,0.81,0.85,.,.,.,.,.,.,DFT,mp-21313
MMD-3026,TiMnSi2,12,48,orthorhombic,Pbam [55],-0.643,0 (stable),MP,0.21,0.18,.,.,.,.,.,.,DFT,mp-21606
MMD-3027,Zr(MnGe)6,1,13,hexagonal,P6/mmm [191],-0.298,0 (stable),MP,0.93,0.76,.,.,.,.,.,.,DFT,mp-22084
MMD-3028,ZrMnSi,4,12,orthorhombic,Pnma [62],-0.7,0 (stable),MP,0.55,0.41,.,.,.,.,.,.,DFT,mp-22227
MMD-3029,Y(MnGe)6,1,13,hexagonal,P6/mmm [191],-0.305,0 (stable),MP,0.9,0.71,.,.,.,.,.,.,DFT,mp-22267
MMD-3030,Mn3GeC,4,20,tetragonal,I4/mcm [140],-0.095,.,MP,1.03,1.06,.,.,.,.,.,.,DFT,mp-22706
MMD-3031,Mn3ZnC,1,5,cubic,Pm-3m [221],-0.043,.,MP,1.39,1.39,.,.,.,.,.,.,DFT,mp-2930
MMD-3032,Mn9(NbGe4)2,4,76,orthorhombic,Pnma [62],-0.176,0 (stable),MP,1.12,0.92,.,.,.,.,.,.,DFT,mp-29905
MMD-3033,Mn4Nb7Ge8,4,76,orthorhombic,Pnma [62],-0.318,.,MP,0.49,0.36,.,.,.,.,.,.,DFT,mp-29906
MMD-3034,Sc(MnAl2)4,2,26,tetragonal,I4/mmm [139],-0.325,0 (stable),MP,0.55,0.43,.,.,.,.,.,.,DFT,mp-31081
MMD-3035,Zr3(Mn2Si3)2,8,104,tetragonal,P4_2/mbc [135],-0.662,.,MP,0.47,0.38,.,.,.,.,.,.,DFT,mp-31310
MMD-3036,MnAlCu2,4,16,cubic,Fm-3m [225],-0.124,.,MP,0.87,0.78,.,.,.,.,.,.,DFT,mp-3574
MMD-3037,MnSiN2,4,16,orthorhombic,Pna2_1 [33],-0.606,.,MP,1.25,1.31,.,.,.,.,.,.,DFT,mp-3606
MMD-3038,Mn(NbS2)4,2,26,hexagonal,P6_3/mmc [194],-1.079,.,MP,0.25,0.17,.,.,.,.,.,.,DFT,mp-3669
MMD-3039,Y(MnSi)2,2,10,tetragonal,I4/mmm [139],-0.629,0 (stable),MP,0.71,0.52,.,.,.,.,.,.,DFT,mp-3854
MMD-3040,Sc2MnS4,8,56,cubic,Fd-3m [227],-1.561,0 (stable),MP,0.71,0.39,.,.,.,.,.,.,DFT,mp-3930
MMD-3041,Mn3AlC,1,5,cubic,Pm-3m [221],-0.209,0 (stable),MP,0.78,0.82,.,.,.,.,.,.,DFT,mp-4593
MMD-3042,Mn2SiS4,4,28,orthorhombic,Pnma [62],-0.576,.,MP,1.43,0.83,.,.,.,.,.,.,DFT,mp-5056
MMD-3043,Mn3CuN,1,5,cubic,Pm-3m [221],-0.088,.,MP,1.47,1.53,.,.,.,.,.,.,DFT,mp-510380
MMD-3044,Mn2Nb9Ge8,4,76,orthorhombic,Pnma [62],-0.368,.,MP,0.24,0.17,.,.,.,.,.,.,DFT,mp-567194
MMD-3045,Mn8Zn14Ga27,3,147,trigonal,R-3 [148],-0.095,.,MP,0.06,0.04,.,.,.,.,.,.,DFT,mp-580480
MMD-3046,Mn(C2N3)2,2,22,orthorhombic,Pnnm [58],0.224,.,MP,0.45,0.33,.,.,.,.,.,.,DFT,mp-581026
MMD-3047,Mn2GeS4,4,28,orthorhombic,Pnma [62],-0.43,.,MP,1.42,0.81,.,.,.,.,.,.,DFT,mp-621925
MMD-3048,Mn(GaS2)2,6,42,monoclinic,C2/c [15],-0.624,.,MP,0.71,0.39,.,.,.,.,.,.,DFT,mp-622375
MMD-3049,Mn3GaN,1,5,cubic,Pm-3m [221],-0.276,0 (stable),MP,0.6,0.64,.,.,.,.,.,.,DFT,mp-627439
MMD-3050,Mn2GeSe4,4,28,orthorhombic,Pnma [62],-0.325,0 (stable),MP,1.26,0.63,.,.,.,.,.,.,DFT,mp-640047
MMD-3051,Mn(GaS2)2,12,84,monoclinic,C2/c [15],-0.621,.,MP,0.71,0.39,.,.,.,.,.,.,DFT,mp-662815
MMD-3052,Mn17Nb31N48,1,96,trigonal,P312 [149],-0.739,.,MP,0.76,0.85,.,.,.,.,.,.,DFT,mp-685705
MMD-3053,Sc10Mn17S32,1,59,triclinic,P1 [1],-1.037,.,MP,1.3,0.79,.,.,.,.,.,.,DFT,mp-685820
MMD-3054,Mn14Al56Ge3,1,73,trigonal,P-3 [147],-0.219,0 (stable),MP,0,0,.,.,.,.,.,.,DFT,mp-706448
MMD-3055,MnNbSi,3,9,hexagonal,P-62m [189],-0.561,0 (stable),MP,0.25,0.21,.,.,.,.,.,.,DFT,mp-7829
MMD-3056,Mn2AlB2,2,10,orthorhombic,Cmmm [65],-0.46,0 (stable),MP,0.15,0.19,.,.,.,.,.,.,DFT,mp-7892
MMD-3057,Mn2ZnAs2,1,5,trigonal,P-3m1 [164],0.108,.,MP,1.1,0.73,.,.,.,.,.,.,DFT,mp-8322
MMD-3058,MnPS3,4,20,monoclinic,C2/m [12],-0.383,.,MP,1,0.5,.,.,.,.,.,.,DFT,mp-8613
MMD-3059,MnV2Cr,4,16,cubic,Fm-3m [225],-0.189,0 (stable),MP,0,0,.,.,.,.,.,.,DFT,mp-864953
MMD-3060,Mn2AlCr,4,16,cubic,Fm-3m [225],-0.155,0 (stable),MP,0.26,0.26,.,.,.,.,.,.,DFT,mp-864988
MMD-3061,Mn2NbAl,4,16,cubic,Fm-3m [225],-0.259,0 (stable),MP,0.5,0.43,.,.,.,.,.,.,DFT,mp-865011
MMD-3062,Mn2VSi,4,16,cubic,Fm-3m [225],-0.5,0 (stable),MP,0.23,0.24,.,.,.,.,.,.,DFT,mp-865026
MMD-3063,TiMn2Al,4,16,cubic,Fm-3m [225],-0.322,0 (stable),MP,0.75,0.66,.,.,.,.,.,.,DFT,mp-865531
MMD-3064,Mn2VGe,4,16,cubic,Fm-3m [225],-0.259,0 (stable),MP,0.24,0.23,.,.,.,.,.,.,DFT,mp-865554
MMD-3065,TiMn2Si,4,16,cubic,Fm-3m [225],-0.509,0 (stable),MP,0.49,0.48,.,.,.,.,.,.,DFT,mp-865652
MMD-3066,TiMn2V,4,16,cubic,Fm-3m [225],-0.269,0 (stable),MP,0.14,0.13,.,.,.,.,.,.,DFT,mp-865678
MMD-3067,TiMn2Ga,4,16,cubic,Fm-3m [225],-0.215,.,MP,0.77,0.63,.,.,.,.,.,.,DFT,mp-865780
MMD-3068,TiMn2Ge,4,16,cubic,Fm-3m [225],-0.322,0 (stable),MP,0.49,0.45,.,.,.,.,.,.,DFT,mp-866376
MMD-3069,MnPSe3,6,30,trigonal,R-3 [148],-0.256,0 (stable),MP,0.99,0.43,.,.,.,.,.,.,DFT,mp-8695
MMD-3070,MnMoN2,2,8,hexagonal,P6_3/mmc [194],-0.363,0 (stable),MP,0.63,0.77,.,.,.,.,.,.,DFT,mp-9374
MMD-3071,ScMnSi,3,9,hexagonal,P-62m [189],-0.618,0 (stable),MP,0.7,0.52,.,.,.,.,.,.,DFT,mp-9550
MMD-3072,MnNbAs,4,12,cubic,F-43m [216],0.329,.,MP,0.69,0.45,.,.,.,.,.,.,DFT,mp-961666
MMD-3073,MnNbGe,3,9,hexagonal,P-62m [189],-0.319,0 (stable),MP,0.46,0.36,.,.,.,.,.,.,DFT,mp-9951
MMD-3074,Ti2MnSi,4,16,cubic,F-43m [216],-0.358,.,MP,0.24,0.21,.,.,.,.,.,.,DFT,mp-999047
MMD-3075,Ti2MnAl,4,16,cubic,F-43m [216],-0.164,.,MP,0,0,.,.,.,.,.,.,DFT,mp-999052
MMD-3076,Sc2MnSi,4,16,cubic,F-43m [216],-0.197,.,MP,0.25,0.18,.,.,.,.,.,.,DFT,mp-999201
MMD-3077,Sc2MnSi,4,16,cubic,Fm-3m [225],-0.284,.,MP,0.04,0.03,.,.,.,.,.,.,DFT,mp-999208
MMD-3078,Sc2MnGe,4,16,cubic,F-43m [216],-0.179,.,MP,0.25,0.17,.,.,.,.,.,.,DFT,mp-999249
MMD-3079,Sc2MnC,4,16,cubic,Fm-3m [225],0.496,.,MP,0.14,0.12,.,.,.,.,.,.,DFT,mp-999257
MMD-3080,Sc2MnGe,4,16,cubic,Fm-3m [225],-0.253,.,MP,0,0,.,.,.,.,.,.,DFT,mp-999258
MMD-3081,Mn4ZnS8,3,39,trigonal,R-3m [166],-0.543,.,MP,0.95,0.6,.,.,.,.,.,.,DFT,mvc-12340
MMD-3082,Mn4ZnS8,3,39,trigonal,R-3m [166],-0.561,.,MP,0.89,0.56,.,.,.,.,.,.,DFT,mvc-12951
MMD-3083,Mn2ZnS5,2,16,orthorhombic,Pmmn [59],-0.337,.,MP,0.75,0.44,.,.,.,.,.,.,DFT,mvc-12972
MMD-3084,Mn(ZnN)2,4,20,monoclinic,C2/m [12],0.106,.,MP,0.58,0.52,.,.,.,.,.,.,DFT,mvc-13664
MMD-3085,Mn2ZnN2,1,5,tetragonal,P-4m2 [115],0.405,.,MP,1.01,0.89,.,.,.,.,.,.,DFT,mvc-15728
MMD-3086,Y(MnS2)2,4,28,orthorhombic,Imma [74],-1.048,.,MP,1.29,0.69,.,.,.,.,.,.,DFT,mvc-16600
MMD-3087,Y(MnS2)2,4,28,monoclinic,C2/m [12],-1.044,.,MP,1.26,0.7,.,.,.,.,.,.,DFT,mvc-16792
MMD-3088,Zn3(Ni10B3)2,4,116,cubic,Fm-3m [225],-0.282,0 (stable),MP,0,0,.,.,.,.,.,.,DFT,mp-10131
MMD-3089,CuNi3N,1,5,cubic,Pm-3m [221],0.007,.,MP,0.01,0.01,.,.,.,.,.,.,DFT,mp-1017556
MMD-3090,Ti2AlNi,4,16,cubic,F-43m [216],-0.265,.,MP,0.75,0.58,.,.,.,.,.,.,DFT,mp-1018016
MMD-3091,NiMoP2,2,8,hexagonal,P6_3/mmc [194],-0.581,0 (stable),MP,0,0,.,.,.,.,.,.,DFT,mp-10208
MMD-3092,ScNiP,4,12,orthorhombic,Pnma [62],-1.208,0 (stable),MP,0,0,.,.,.,.,.,.,DFT,mp-10240
MMD-3093,Cr2NiSe4,2,14,monoclinic,C2/m [12],-0.434,.,MP,0.66,0.42,.,.,.,.,.,.,DFT,mp-1025151
MMD-3094,ScGa5Ni,1,7,tetragonal,P4/mmm [123],-0.432,0 (stable),MP,0,0,.,.,.,.,.,.,DFT,mp-1025191
MMD-3095,Ti2NiS4,2,14,monoclinic,C2/m [12],-1.159,0 (stable),MP,0,0,.,.,.,.,.,.,DFT,mp-1025263
MMD-3096,Ti2NiSe4,2,14,monoclinic,C2/m [12],-0.938,.,MP,0,0,.,.,.,.,.,.,DFT,mp-1025281
MMD-3097,TiGa5Ni,1,7,tetragonal,P4/mmm [123],-0.307,.,MP,0,0,.,.,.,.,.,.,DFT,mp-1025313
MMD-3098,Si2NiSe4,2,14,monoclinic,C2/m [12],-0.143,.,MP,0,0,.,.,.,.,.,.,DFT,mp-1025341
MMD-3099,Sc3NiC4,2,16,orthorhombic,Immm [71],-0.507,0 (stable),MP,0,0,.,.,.,.,.,.,DFT,mp-1025464
MMD-3100,Zr(NiP)2,2,10,tetragonal,I4/mmm [139],-0.848,.,MP,0,0,.,.,.,.,.,.,DFT,mp-10259
MMD-3101,YSi3Ni,4,20,orthorhombic,Cmmm [65],-0.699,0 (stable),MP,0,0,.,.,.,.,.,.,DFT,mp-10284
MMD-3102,Nb5(NiP)4,2,26,tetragonal,I4/m [87],-0.866,0 (stable),MP,0,0,.,.,.,.,.,.,DFT,mp-10430
MMD-3103,YNiC2,2,8,orthorhombic,Amm2 [38],-0.41,0 (stable),MP,0,0,.,.,.,.,.,.,DFT,mp-1066566
MMD-3104,ZnNi3N,1,5,cubic,Pm-3m [221],-0.131,0 (stable),MP,0,0,.,.,.,.,.,.,DFT,mp-1069270
MMD-3105,Y2GaNi2,2,10,orthorhombic,Immm [71],-0.56,0 (stable),MP,0,0,.,.,.,.,.,.,DFT,mp-1070755
MMD-3106,YSiNi4,2,12,orthorhombic,Cmmm [65],-0.607,0 (stable),MP,0,0,.,.,.,.,.,.,DFT,mp-1072437
MMD-3107,ZrNiP2,2,8,tetragonal,P4/nmm [129],-0.958,.,MP,0,0,.,.,.,.,.,.,DFT,mp-1078514
MMD-3108,Ni6Ge2B,1,9,hexagonal,P-62m [189],-0.299,0 (stable),MP,0,0,.,.,.,.,.,.,DFT,mp-1078540
MMD-3109,ZrGaNi,3,9,hexagonal,P-62m [189],-0.655,0 (stable),MP,0,0,.,.,.,.,.,.,DFT,mp-1078832
MMD-3110,TiCuNi2,2,8,orthorhombic,Pmmn [59],-0.339,.,MP,0,0,.,.,.,.,.,.,DFT,mp-1079193
MMD-3111,NiPSe3,4,20,monoclinic,C2/m [12],-0.127,.,MP,0.25,0.13,.,.,.,.,.,.,DFT,mp-1079754
MMD-3112,YNiGe2,4,16,orthorhombic,Cmcm [63],-0.704,0 (stable),MP,0,0,.,.,.,.,.,.,DFT,mp-1079802
MMD-3113,CrNiP,3,9,hexagonal,P-62m [189],-0.498,0 (stable),MP,0.51,0.52,.,.,.,.,.,.,DFT,mp-1079966
MMD-3114,Y(NiB)2,4,20,monoclinic,C2/c [15],-0.571,0 (stable),MP,0,0,.,.,.,.,.,.,DFT,mp-1079994
MMD-3115,Zr2NiP2,2,10,hexagonal,P6_3/mmc [194],-1.309,0 (stable),MP,0,0,.,.,.,.,.,.,DFT,mp-1079999
MMD-3116,Zr6Ga2Ni,1,9,hexagonal,P-62m [189],-0.421,.,MP,0,0,.,.,.,.,.,.,DFT,mp-1080051
MMD-3117,NiAsSe,4,12,cubic,P2_13 [198],-0.286,0 (stable),MP,0,0,.,.,.,.,.,.,DFT,mp-10846
MMD-3118,ScNiC2,2,8,tetragonal,P4/nmm [129],-0.355,.,MP,0,0,.,.,.,.,.,.,DFT,mp-1086667
MMD-3119,AlCrNi2,4,16,cubic,Fm-3m [225],-0.265,.,MP,0.82,0.79,.,.,.,.,.,.,DFT,mp-10885
MMD-3120,ScAlNi2,4,16,cubic,Fm-3m [225],-0.628,0 (stable),MP,0,0,.,.,.,.,.,.,DFT,mp-10898
MMD-3121,AlVNi2,4,16,cubic,Fm-3m [225],-0.393,.,MP,0,0,.,.,.,.,.,.,DFT,mp-10899
MMD-3122,VSiNi,4,12,orthorhombic,Pnma [62],-0.591,0 (stable),MP,0,0,.,.,.,.,.,.,DFT,mp-1095532
MMD-3123,YGa4Ni,4,24,orthorhombic,Cmcm [63],-0.531,0 (stable),MP,0,0,.,.,.,.,.,.,DFT,mp-1095535
MMD-3124,VNiGe,4,12,orthorhombic,Pnma [62],-0.333,0 (stable),MP,0,0,.,.,.,.,.,.,DFT,mp-1095536
MMD-3125,ZrZnNi2,4,16,cubic,Fm-3m [225],-0.408,.,MP,0,0,.,.,.,.,.,.,DFT,mp-1100781
MMD-3126,NbNiGe,4,12,orthorhombic,Pnma [62],-0.501,0 (stable),MP,0,0,.,.,.,.,.,.,DFT,mp-1101995
MMD-3127,YGaNi,4,12,orthorhombic,Pnma [62],-0.647,0 (stable),MP,0,0,.,.,.,.,.,.,DFT,mp-1102603
MMD-3128,ZrNiGe,4,12,orthorhombic,Pnma [62],-0.793,0 (stable),MP,0,0,.,.,.,.,.,.,DFT,mp-1102687
MMD-3129,YNiP,4,12,hexagonal,P6_3/mmc [194],-1.234,0 (stable),MP,0,0,.,.,.,.,.,.,DFT,mp-1102854
MMD-3130,CrSiNi,4,12,orthorhombic,Pnma [62],-0.374,.,MP,0.65,0.63,.,.,.,.,.,.,DFT,mp-1103085
MMD-3131,NbNiAs,4,12,orthorhombic,Pnma [62],-0.521,0 (stable),MP,0,0,.,.,.,.,.,.,DFT,mp-1103243
MMD-3132,ZrSiNi,4,12,orthorhombic,Pnma [62],-0.924,0 (stable),MP,0,0,.,.,.,.,.,.,DFT,mp-1103272
MMD-3133,Zr4NiP,2,12,tetragonal,P4/mcc [124],-0.672,.,MP,0,0,.,.,.,.,.,.,DFT,mp-1103567
MMD-3134,YNiGe,4,12,orthorhombic,Pnma [62],-0.804,0 (stable),MP,0,0,.,.,.,.,.,.,DFT,mp-1103655
MMD-3135,Y(Ni2P)2,2,14,tetragonal,P4_2/mnm [136],-0.831,0 (stable),MP,0,0,.,.,.,.,.,.,DFT,mp-1104054
MMD-3136,Y(Ni2As)2,2,14,tetragonal,P4_2/mnm [136],-0.614,0 (stable),MP,0,0,.,.,.,.,.,.,DFT,mp-1104069
MMD-3137,Ti4NiS8,2,26,monoclinic,C2/m [12],-1.234,0 (stable),MP,0,0,.,.,.,.,.,.,DFT,mp-1104366
MMD-3138,Sc(Ni2As)2,2,14,tetragonal,P4_2/mnm [136],-0.565,0 (stable),MP,0,0,.,.,.,.,.,.,DFT,mp-1104526
MMD-3139,Zr(Ni2As)2,2,14,tetragonal,P4_2/mnm [136],-0.532,0 (stable),MP,0,0,.,.,.,.,.,.,DFT,mp-1104853
MMD-3140,Sc3Si3Ni2,4,32,orthorhombic,Cmcm [63],-0.884,0 (stable),MP,0,0,.,.,.,.,.,.,DFT,mp-11338
MMD-3141,ScGaNi2,4,16,cubic,Fm-3m [225],-0.561,0 (stable),MP,0,0,.,.,.,.,.,.,DFT,mp-11400
MMD-3142,ScGa2Ni,4,16,orthorhombic,Cmcm [63],-0.638,0 (stable),MP,0,0,.,.,.,.,.,.,DFT,mp-11401
MMD-3143,YGa2Ni,4,16,orthorhombic,Cmcm [63],-0.654,0 (stable),MP,0,0,.,.,.,.,.,.,DFT,mp-11444
MMD-3144,ZrZnNi4,4,24,cubic,F-43m [216],-0.418,0 (stable),MP,0,0,.,.,.,.,.,.,DFT,mp-11533
MMD-3145,Nb3NiS6,2,20,hexagonal,P6_322 [182],-1.021,0 (stable),MP,0.14,0.1,.,.,.,.,.,.,DFT,mp-1173526
MMD-3146,Ni2GeP,8,32,orthorhombic,Pbca [61],-0.362,.,MP,0,0,.,.,.,.,.,.,DFT,mp-1179970
MMD-3147,AlGaNi2,4,16,cubic,Fm-3m [225],-0.497,.,MP,0,0,.,.,.,.,.,.,DFT,mp-1183173
MMD-3148,GaCuNi2,4,16,cubic,Fm-3m [225],-0.234,.,MP,0,0,.,.,.,.,.,.,DFT,mp-1184005
MMD-3149,Sc2GaNi,4,16,cubic,Fm-3m [225],-0.54,.,MP,0,0,.,.,.,.,.,.,DFT,mp-1186942
MMD-3150,Sc2CuNi,4,16,cubic,Fm-3m [225],-0.392,0 (stable),MP,0,0,.,.,.,.,.,.,DFT,mp-1186945
MMD-3151,Ti2AlNi,4,16,cubic,Fm-3m [225],-0.275,.,MP,0.39,0.3,.,.,.,.,.,.,DFT,mp-1187453
MMD-3152,ZnGaNi2,4,16,cubic,Fm-3m [225],-0.314,0 (stable),MP,0,0,.,.,.,.,.,.,DFT,mp-1187935
MMD-3153,Nb3NiSe6,2,20,hexagonal,P6_322 [182],-0.781,.,MP,0.15,0.09,.,.,.,.,.,.,DFT,mp-1188620
MMD-3154,Zr2Si4Ni3,4,36,orthorhombic,Cmce [64],-0.805,0 (stable),MP,0,0,.,.,.,.,.,.,DFT,mp-1189144
MMD-3155,YNiB4,8,48,tetragonal,I4/mmm [139],-0.587,0 (stable),MP,0,0,.,.,.,.,.,.,DFT,mp-1190178
MMD-3156,Y2Ni12P7,1,21,hexagonal,P-6 [174],-0.77,0 (stable),MP,0,0,.,.,.,.,.,.,DFT,mp-1191078
MMD-3157,Y2Ni12As7,1,21,hexagonal,P-6 [174],-0.511,0 (stable),MP,0,0,.,.,.,.,.,.,DFT,mp-1191314
MMD-3158,Y4Ni13C4,2,42,orthorhombic,Cmmm [65],-0.363,0 (stable),MP,0,0,.,.,.,.,.,.,DFT,mp-1191870
MMD-3159,Y3(GaNi3)2,4,44,cubic,Im-3m [229],-0.542,0 (stable),MP,0,0,.,.,.,.,.,.,DFT,mp-1191954
MMD-3160,Nb4NiS8,2,26,hexagonal,P6_3/mmc [194],-1.04,0 (stable),MP,0.1,0.06,.,.,.,.,.,.,DFT,mp-1192540
MMD-3161,V3(Ni10B3)2,4,116,cubic,Fm-3m [225],-0.314,0 (stable),MP,0,0,.,.,.,.,.,.,DFT,mp-1192799
MMD-3162,Ti2(Ni7B2)3,4,116,cubic,Fm-3m [225],-0.366,0 (stable),MP,0,0,.,.,.,.,.,.,DFT,mp-1193180
MMD-3163,Ga2(Ni7B2)3,4,116,cubic,Fm-3m [225],-0.299,0 (stable),MP,0,0,.,.,.,.,.,.,DFT,mp-1193255
MMD-3164,V4Ni2N,16,112,cubic,Fd-3m [227],-0.556,0 (stable),MP,0,0,.,.,.,.,.,.,DFT,mp-1193390
MMD-3165,Nb4Si7Ni4,4,60,tetragonal,I4/mmm [139],-0.643,0 (stable),MP,0,0,.,.,.,.,.,.,DFT,mp-1193423
MMD-3166,Nb4NiSe8,2,26,hexagonal,P6_3/mmc [194],-0.814,0 (stable),MP,0.09,0.05,.,.,.,.,.,.,DFT,mp-1193543
MMD-3167,Zr6Al16Ni7,4,116,cubic,Fm-3m [225],-0.645,0 (stable),MP,0,0,.,.,.,.,.,.,DFT,mp-1193679
MMD-3168,Ti4Ni4Ge7,4,60,tetragonal,I4/mmm [139],-0.513,.,MP,0,0,.,.,.,.,.,.,DFT,mp-1193680
MMD-3169,Ti3(Ni10B3)2,4,116,cubic,Fm-3m [225],-0.429,0 (stable),MP,0,0,.,.,.,.,.,.,DFT,mp-1193912
MMD-3170,Zr3(Ni10B3)2,4,116,cubic,Fm-3m [225],-0.434,0 (stable),MP,0,0,.,.,.,.,.,.,DFT,mp-1193952
MMD-3171,Zr4Ni2N,16,112,cubic,Fd-3m [227],-0.803,.,MP,0,0,.,.,.,.,.,.,DFT,mp-1194181
MMD-3172,Sc6Al16Ni7,4,116,cubic,Fm-3m [225],-0.611,.,MP,0,0,.,.,.,.,.,.,DFT,mp-1194264
MMD-3173,Sc3(Ni10B3)2,4,116,cubic,Fm-3m [225],-0.439,0 (stable),MP,0,0,.,.,.,.,.,.,DFT,mp-1194311
MMD-3174,Nb3Ni3C,16,112,cubic,Fd-3m [227],-0.349,.,MP,0,0,.,.,.,.,.,.,DFT,mp-1194349
MMD-3175,Ti6Ga16Ni7,4,116,cubic,Fm-3m [225],-0.407,.,MP,0,0,.,.,.,.,.,.,DFT,mp-1194458
MMD-3176,GaNi9B8,4,72,orthorhombic,Cmcm [63],-0.25,.,MP,0,0,.,.,.,.,.,.,DFT,mp-1194536
MMD-3177,Al15Ni3Ge4,4,88,cubic,I-43m [217],-0.217,.,MP,0,0,.,.,.,.,.,.,DFT,mp-1194643
MMD-3178,Zn2Ni21B20,2,86,tetragonal,I4/mmm [139],-0.259,0 (stable),MP,0,0,.,.,.,.,.,.,DFT,mp-1197569
MMD-3179,Y3Ni19B10,2,64,monoclinic,C2/m [12],-0.432,.,MP,0,0,.,.,.,.,.,.,DFT,mp-1199550
MMD-3180,Ti4Si4Ni,8,72,orthorhombic,Pnma [62],-0.772,.,MP,0,0,.,.,.,.,.,.,DFT,mp-1199666
MMD-3181,ZrGa2Ni,20,80,tetragonal,I4mm [107],-0.584,0 (stable),MP,0,0,.,.,.,.,.,.,DFT,mp-1200150
MMD-3182,ZnNi13Ge8,3,66,trigonal,P3_121 [152],-0.284,.,MP,0,0,.,.,.,.,.,.,DFT,mp-1200997
MMD-3183,Y4Ga21Ni10,2,70,monoclinic,C2/m [12],-0.503,.,MP,0,0,.,.,.,.,.,.,DFT,mp-1201076
MMD-3184,Y4NiB13,2,36,tetragonal,P4/mnc [128],-0.479,.,MP,0,0,.,.,.,.,.,.,DFT,mp-1201729
MMD-3185,YSi2Ni,4,16,orthorhombic,Cmcm [63],-0.847,0 (stable),MP,0,0,.,.,.,.,.,.,DFT,mp-1206088
MMD-3186,ZnSiNi2,4,16,cubic,Fm-3m [225],-0.36,.,MP,0,0,.,.,.,.,.,.,DFT,mp-1206365
MMD-3187,Nb2NiS4,1,7,trigonal,P-3m1 [164],-0.546,.,MP,0,0,.,.,.,.,.,.,DFT,mp-1206548
MMD-3188,YNiAs,1,3,hexagonal,P-6m2 [187],-1.054,0 (stable),MP,0,0,.,.,.,.,.,.,DFT,mp-1206718
MMD-3189,GaNi3C,1,5,cubic,Pm-3m [221],-0.087,.,MP,0,0,.,.,.,.,.,.,DFT,mp-1206991
MMD-3190,AlNi3C,1,5,cubic,Pm-3m [221],-0.2,.,MP,0,0,.,.,.,.,.,.,DFT,mp-1207084
MMD-3191,ZrNiAs,4,12,orthorhombic,Pnma [62],-0.889,0 (stable),MP,0,0,.,.,.,.,.,.,DFT,mp-1207428
MMD-3192,Y3(SiNi)2,2,14,orthorhombic,Immm [71],-0.712,.,MP,0,0,.,.,.,.,.,.,DFT,mp-1207763
MMD-3193,Y3(SiNi3)2,4,44,cubic,Im-3m [229],-0.653,0 (stable),MP,0,0,.,.,.,.,.,.,DFT,mp-1207795
MMD-3194,Y3NiGe2,4,24,orthorhombic,Pnma [62],-0.819,0 (stable),MP,0,0,.,.,.,.,.,.,DFT,mp-1207820
MMD-3195,Y6Si7Ni16,4,116,cubic,Fm-3m [225],-0.677,.,MP,0,0,.,.,.,.,.,.,DFT,mp-1207874
MMD-3196,V2(Ni7B2)3,4,116,cubic,Fm-3m [225],-0.278,.,MP,0,0,.,.,.,.,.,.,DFT,mp-1207902
MMD-3197,Ti2SiNi3,2,12,hexagonal,P6_3/mmc [194],-0.622,.,MP,0.11,0.1,.,.,.,.,.,.,DFT,mp-1208276
MMD-3198,Y15(Ni4P3)7,2,128,hexagonal,P6_3/m [176],-1.069,0 (stable),MP,0,0,.,.,.,.,.,.,DFT,mp-1208729
MMD-3199,Sc2Ga8Ni,1,11,tetragonal,P4/mmm [123],-0.455,0 (stable),MP,0,0,.,.,.,.,.,.,DFT,mp-1208973
MMD-3200,Ni7(Mo3P2)3,1,22,triclinic,P-1 [2],-0.45,.,MP,0,0,.,.,.,.,.,.,DFT,mp-1209818
MMD-3201,NiMo2P,8,32,monoclinic,C2/m [12],-0.403,.,MP,0,0,.,.,.,.,.,.,DFT,mp-1209867
MMD-3202,Ni21(GeB3)2,4,116,cubic,Fm-3m [225],-0.279,0 (stable),MP,0,0,.,.,.,.,.,.,DFT,mp-1209988
MMD-3203,Nb3(Ni10B3)2,4,116,cubic,Fm-3m [225],-0.362,0 (stable),MP,0,0,.,.,.,.,.,.,DFT,mp-1210153
MMD-3204,Nb2(Ni7B2)3,4,116,cubic,Fm-3m [225],-0.321,0 (stable),MP,0,0,.,.,.,.,.,.,DFT,mp-1210179
MMD-3205,Ni16GeP5,1,22,triclinic,P-1 [2],-0.432,0 (stable),MP,0,0,.,.,.,.,.,.,DFT,mp-1210211
MMD-3206,GaNi10P3,3,42,trigonal,P-3m1 [164],-0.446,0 (stable),MP,0,0,.,.,.,.,.,.,DFT,mp-1212709
MMD-3207,Ga(Ni3B2)4,12,252,orthorhombic,Cmce [64],-0.289,.,MP,0,0,.,.,.,.,.,.,DFT,mp-1213377
MMD-3208,Al2(Ni7B2)3,4,116,cubic,Fm-3m [225],-0.346,0 (stable),MP,0,0.01,.,.,.,.,.,.,DFT,mp-1214897
MMD-3209,ZrVNi,8,24,orthorhombic,Amm2 [38],-0.255,.,MP,0,0,.,.,.,.,.,.,DFT,mp-1215279
MMD-3210,ZrAlNi2,1,4,tetragonal,P4/mmm [123],-0.498,.,MP,0,0,.,.,.,.,.,.,DFT,mp-1215308
MMD-3211,ZrCrNi,8,24,orthorhombic,Amm2 [38],-0.209,.,MP,0,0,.,.,.,.,.,.,DFT,mp-1215355
MMD-3212,Zr5AlNi4,2,20,tetragonal,P-4n2 [118],-0.441,.,MP,0,0,.,.,.,.,.,.,DFT,mp-1215365
MMD-3213,Zr4CuNi,2,12,tetragonal,I422 [97],-0.226,.,MP,0,0,.,.,.,.,.,.,DFT,mp-1215371
MMD-3214,Zr4Ni3As8,1,15,tetragonal,P-4m2 [115],-0.758,0 (stable),MP,0,0,.,.,.,.,.,.,DFT,mp-1215378
MMD-3215,ZnCu2Ni,3,12,trigonal,R3m [160],-0.035,.,MP,0,0,.,.,.,.,.,.,DFT,mp-1215413
MMD-3216,Zn2CuNi,1,4,tetragonal,P4/mmm [123],-0.158,.,MP,0,0,.,.,.,.,.,.,DFT,mp-1215438
MMD-3217,Zr2Al3Ni,3,18,trigonal,R-3m [166],-0.589,.,MP,0,0,.,.,.,.,.,.,DFT,mp-1215477
MMD-3218,ZnSiNi2,1,4,tetragonal,P4/mmm [123],-0.394,.,MP,0,0,.,.,.,.,.,.,DFT,mp-1215533
MMD-3219,Zr2VNi3,3,18,trigonal,R-3m [166],-0.334,.,MP,0,0,.,.,.,.,.,.,DFT,mp-1215561
MMD-3220,Zr2NiS4,2,14,monoclinic,Cm [8],-1.377,0 (stable),MP,0,0,.,.,.,.,.,.,DFT,mp-1215577
MMD-3221,Zn4Ni5Ge,1,10,tetragonal,P4/mmm [123],-0.215,.,MP,0,0,.,.,.,.,.,.,DFT,mp-1215585
MMD-3222,Zr2SiNi3,2,12,hexagonal,P6_3/mmc [194],-0.649,.,MP,0,0,.,.,.,.,.,.,DFT,mp-1215663
MMD-3223,Zr2Ga3Ni,2,12,monoclinic,Cm [8],-0.591,.,MP,0,0,.,.,.,.,.,.,DFT,mp-1215689
MMD-3224,ZnNi9Ge2,2,24,tetragonal,I4/mmm [139],-0.193,.,MP,0,0,.,.,.,.,.,.,DFT,mp-1215729
MMD-3225,ZnSi2Ni3,4,24,triclinic,P1 [1],-0.438,.,MP,0,0,.,.,.,.,.,.,DFT,mp-1215806
MMD-3226,YNiGe,4,12,monoclinic,C2/m [12],-0.725,.,MP,0,0,.,.,.,.,.,.,DFT,mp-1215976
MMD-3227,YZr2Ni15,1,18,trigonal,P3m1 [156],-0.286,.,MP,0.13,0.12,.,.,.,.,.,.,DFT,mp-1216007
MMD-3228,Zr3(VNi2)2,2,18,triclinic,P-1 [2],-0.308,.,MP,0,0,.,.,.,.,.,.,DFT,mp-1216016
MMD-3229,Y3Si3Ni,2,14,orthorhombic,Imm2 [44],-0.809,.,MP,0,0,.,.,.,.,.,.,DFT,mp-1216074
MMD-3230,Y2Ga3Ni,1,6,trigonal,P3m1 [156],-0.637,.,MP,0,0,.,.,.,.,.,.,DFT,mp-1216091
MMD-3231,Y2(CuNi)5,1,12,orthorhombic,Pmmm [47],-0.275,0 (stable),MP,0,0,.,.,.,.,.,.,DFT,mp-1216156
MMD-3232,Y3Ga8Ni3,2,28,monoclinic,Cm [8],-0.564,.,MP,0,0,.,.,.,.,.,.,DFT,mp-1216196
MMD-3233,Y2(AlNi)5,3,36,monoclinic,Pm [6],-0.632,0 (stable),MP,0,0,.,.,.,.,.,.,DFT,mp-1216255
MMD-3234,VSiNi,8,24,orthorhombic,Amm2 [38],-0.429,.,MP,0,0,.,.,.,.,.,.,DFT,mp-1216307
MMD-3235,VGaNi6,1,8,tetragonal,P4/mmm [123],-0.293,0 (stable),MP,0,0,.,.,.,.,.,.,DFT,mp-1216351
MMD-3236,V2NiP,1,4,tetragonal,P4/mmm [123],-0.423,.,MP,0,0,.,.,.,.,.,.,DFT,mp-1216521
MMD-3237,TiZnNi2,1,4,tetragonal,P4/mmm [123],-0.357,.,MP,0,0,.,.,.,.,.,.,DFT,mp-1216672
MMD-3238,Zr8Ni61B18,1,87,trigonal,P-3m1 [164],-0.417,.,MP,0,0,.,.,.,.,.,.,DFT,mp-1216773
MMD-3239,TiCuNi,2,6,tetragonal,I4mm [107],-0.314,0 (stable),MP,0,0,.,.,.,.,.,.,DFT,mp-1216850
MMD-3240,TiGaNi6,1,8,tetragonal,P4/mmm [123],-0.395,0 (stable),MP,0,0,.,.,.,.,.,.,DFT,mp-1216876
MMD-3241,TiCuNi2,1,4,tetragonal,P4/mmm [123],-0.276,.,MP,0,0,.,.,.,.,.,.,DFT,mp-1216894
MMD-3242,TiAlNi2,1,4,tetragonal,P4/mmm [123],-0.517,.,MP,0,0,.,.,.,.,.,.,DFT,mp-1217021
MMD-3243,TiAlNi6,1,8,tetragonal,P4/mmm [123],-0.473,0 (stable),MP,0,0,.,.,.,.,.,.,DFT,mp-1217044
MMD-3244,Ti8Cu3Ni,1,12,tetragonal,P4/mmm [123],-0.165,0 (stable),MP,0,0,.,.,.,.,.,.,DFT,mp-1217065
MMD-3245,Ti2CuNi,1,4,tetragonal,P4/mmm [123],-0.204,.,MP,0,0,.,.,.,.,.,.,DFT,mp-1217071
MMD-3246,Ti2CuNi,1,4,orthorhombic,Pmm2 [25],-0.219,.,MP,0.01,0,.,.,.,.,.,.,DFT,mp-1217130
MMD-3247,Ti3AlNi12,1,16,hexagonal,P-6m2 [187],-0.473,.,MP,0,0,.,.,.,.,.,.,DFT,mp-1217197
MMD-3248,Ti4Al11Ni,1,16,tetragonal,P4mm [99],-0.397,.,MP,0.04,0.03,.,.,.,.,.,.,DFT,mp-1217228
MMD-3249,TiAl4Ni15,1,20,tetragonal,P4/mmm [123],-0.444,.,MP,0.13,0.13,.,.,.,.,.,.,DFT,mp-1217285
MMD-3250,Ti(NbNi4)3,1,16,orthorhombic,Pmm2 [25],-0.34,.,MP,0,0,.,.,.,.,.,.,DFT,mp-1217370
MMD-3251,Ti2NbNi9,4,48,hexagonal,P-6m2 [187],-0.399,.,MP,0,0,.,.,.,.,.,.,DFT,mp-1217555
MMD-3252,Ti2VNi9,4,48,hexagonal,P-6m2 [187],-0.381,.,MP,0.06,0.06,.,.,.,.,.,.,DFT,mp-1217583
MMD-3253,Ti2NbNi9,8,96,orthorhombic,Amm2 [38],-0.399,.,MP,0,0,.,.,.,.,.,.,DFT,mp-1217776
MMD-3254,SiNi6Ge,1,8,tetragonal,P4/mmm [123],-0.366,0 (stable),MP,0,0,.,.,.,.,.,.,DFT,mp-1219193
MMD-3255,SiNi3Mo2,2,12,hexagonal,P6_3/mmc [194],-0.34,0 (stable),MP,0,0,.,.,.,.,.,.,DFT,mp-1219280
MMD-3256,Si6NiMo9,2,32,tetragonal,I-42m [121],-0.385,.,MP,0,0,.,.,.,.,.,.,DFT,mp-1219304
MMD-3257,SiNi3Mo2,4,24,orthorhombic,Amm2 [38],-0.267,.,MP,0,0,.,.,.,.,.,.,DFT,mp-1219330
MMD-3258,ScAlNi,8,24,orthorhombic,Amm2 [38],-0.596,.,MP,0,0,.,.,.,.,.,.,DFT,mp-1219369
MMD-3259,Sc4Si7Ni,1,12,orthorhombic,Pmm2 [25],-0.482,.,MP,0,0,.,.,.,.,.,.,DFT,mp-1219409
MMD-3260,Sc3(Ga2Ni)2,2,18,trigonal,P3m1 [156],-0.535,.,MP,0,0,.,.,.,.,.,.,DFT,mp-1219410
MMD-3261,Ni6Ge2P,1,9,hexagonal,P-62m [189],-0.388,0 (stable),MP,0,0,.,.,.,.,.,.,DFT,mp-1219800
MMD-3262,NiSeS,4,12,cubic,P2_13 [198],-0.223,.,MP,0,0,.,.,.,.,.,.,DFT,mp-1219948
MMD-3263,Ni4As3S5,3,36,trigonal,R3 [146],-0.295,.,MP,0,0,.,.,.,.,.,.,DFT,mp-1220013
MMD-3264,Ni11(GeSe2)2,1,17,tetragonal,P4mm [99],-0.271,.,MP,0,0,.,.,.,.,.,.,DFT,mp-1220046
MMD-3265,Ni3Mo2P,2,12,hexagonal,P6_3/mmc [194],-0.305,.,MP,0,0,.,.,.,.,.,.,DFT,mp-1220086
MMD-3266,Ni4(GeAs3)3,2,32,monoclinic,Cm [8],-0.163,.,MP,0,0,.,.,.,.,.,.,DFT,mp-1220089
MMD-3267,Ni(Mo3Se4)2,1,15,triclinic,P1 [1],-0.487,.,MP,0,0,.,.,.,.,.,.,DFT,mp-1220110
MMD-3268,NiGeMo,8,24,orthorhombic,Amm2 [38],0.031,.,MP,0.03,0.03,.,.,.,.,.,.,DFT,mp-1220128
MMD-3269,Ni15Mo17P12,1,44,triclinic,P-1 [2],-0.45,.,MP,0,0,.,.,.,.,.,.,DFT,mp-1220216
MMD-3270,NiGeMo,8,24,orthorhombic,Amm2 [38],-0.018,.,MP,0,0,.,.,.,.,.,.,DFT,mp-1220233
MMD-3271,Ni17(GeSe)4,1,25,tetragonal,P4mm [99],-0.276,0 (stable),MP,0,0,.,.,.,.,.,.,DFT,mp-1220298
MMD-3272,Ni5(Mo2As3)6,2,70,monoclinic,C2/m [12],-0.25,.,MP,0,0,.,.,.,.,.,.,DFT,mp-1220354
MMD-3273,NbNi6Mo,1,8,orthorhombic,Pmm2 [25],-0.209,0 (stable),MP,0,0,.,.,.,.,.,.,DFT,mp-1220426
MMD-3274,NbAl2Ni9,1,12,tetragonal,P4/mmm [123],-0.414,0 (stable),MP,0,0,.,.,.,.,.,.,DFT,mp-1220476
MMD-3275,NiMo8P3,4,48,triclinic,P1 [1],-0.352,.,MP,0,0,.,.,.,.,.,.,DFT,mp-1220567
MMD-3276,NbNi3P2,3,18,monoclinic,Pm [6],-0.651,.,MP,0,0,.,.,.,.,.,.,DFT,mp-1220579
MMD-3277,NbCrNi,8,24,orthorhombic,Amm2 [38],-0.117,.,MP,0,0,.,.,.,.,.,.,DFT,mp-1220594
MMD-3278,NbVNi,8,24,orthorhombic,Amm2 [38],-0.182,0 (stable),MP,0,0,.,.,.,.,.,.,DFT,mp-1220599
MMD-3279,Nb3SiNi8,1,12,trigonal,P3m1 [156],-0.194,.,MP,0.01,0,.,.,.,.,.,.,DFT,mp-1220646
MMD-3280,Nb2SiNi3,2,12,hexagonal,P6_3/mmc [194],-0.473,.,MP,0.16,0.14,.,.,.,.,.,.,DFT,mp-1220732
MMD-3281,Nb2GaNi3,2,12,hexagonal,P6_3/mmc [194],-0.309,.,MP,0,0,.,.,.,.,.,.,DFT,mp-1220738
MMD-3282,Nb(GaNi4)3,1,16,tetragonal,P4/mmm [123],-0.301,0 (stable),MP,0.08,0.08,.,.,.,.,.,.,DFT,mp-1220743
MMD-3283,Nb2Ni3Ge,2,12,hexagonal,P6_3/mmc [194],-0.347,.,MP,0.22,0.19,.,.,.,.,.,.,DFT,mp-1220746
MMD-3284,Ni43(GeB4)3,3,174,trigonal,R3m [160],-0.257,.,MP,0.03,0.04,.,.,.,.,.,.,DFT,mp-1220773
MMD-3285,Nb5Ni41B12,3,174,trigonal,R-3m [166],-0.341,0 (stable),MP,0,0,.,.,.,.,.,.,DFT,mp-1220806
MMD-3286,Ga3SiNi4,3,24,trigonal,R3 [146],-0.418,.,MP,0,0,.,.,.,.,.,.,DFT,mp-1224819
MMD-3287,GaSiNi6,1,8,tetragonal,P4/mmm [123],-0.366,0 (stable),MP,0.1,0.11,.,.,.,.,.,.,DFT,mp-1224834
MMD-3288,GaNi4Ge3,3,24,trigonal,R3 [146],-0.224,.,MP,0,0,.,.,.,.,.,.,DFT,mp-1224859
MMD-3289,GaNi6Ge,1,8,tetragonal,P4/mmm [123],-0.277,0 (stable),MP,0.12,0.12,.,.,.,.,.,.,DFT,mp-1224860
MMD-3290,GaNi2Ge3,4,24,orthorhombic,C222_1 [20],-0.22,.,MP,0,0,.,.,.,.,.,.,DFT,mp-1224885
MMD-3291,Ga2Ni7Ge2,1,11,hexagonal,P-6m2 [187],-0.278,.,MP,0,0,.,.,.,.,.,.,DFT,mp-1224913
MMD-3292,GaNi4Ge3,2,16,orthorhombic,Pmc2_1 [26],-0.299,.,MP,0,0,.,.,.,.,.,.,DFT,mp-1224915
MMD-3293,GaNi4Ge3,2,16,monoclinic,Cm [8],-0.289,.,MP,0,0,.,.,.,.,.,.,DFT,mp-1224925
MMD-3294,GaCu4Ni15,1,20,tetragonal,P4/mmm [123],-0.019,.,MP,0.33,0.35,.,.,.,.,.,.,DFT,mp-1224944
MMD-3295,CuNi3S8,3,36,trigonal,R-3 [148],-0.213,.,MP,0,0,.,.,.,.,.,.,DFT,mp-1225702
MMD-3296,Cr5NiAs3,2,18,orthorhombic,Amm2 [38],-0.058,.,MP,0.6,0.49,.,.,.,.,.,.,DFT,mp-1226031
MMD-3297,Cr2(NiB2)3,2,22,orthorhombic,Amm2 [38],-0.332,.,MP,0,0,.,.,.,.,.,.,DFT,mp-1226092
MMD-3298,Cr5NiS8,1,14,monoclinic,P2/m [10],-0.65,.,MP,0.98,0.71,.,.,.,.,.,.,DFT,mp-1226130
MMD-3299,Cr11NiS16,1,28,triclinic,P-1 [2],-0.665,.,MP,1.18,0.83,.,.,.,.,.,.,DFT,mp-1226263
MMD-3300,Cr3NiP4,1,8,monoclinic,Pm [6],-0.527,.,MP,0.24,0.23,.,.,.,.,.,.,DFT,mp-1226323
MMD-3301,Cr3NiB6,2,20,orthorhombic,Amm2 [38],-0.372,.,MP,0.12,0.17,.,.,.,.,.,.,DFT,mp-1226349
MMD-3302,Cr5NiS8,1,14,triclinic,P-1 [2],-0.626,.,MP,0.96,0.71,.,.,.,.,.,.,DFT,mp-1226452
MMD-3303,Cr11NiS16,2,56,monoclinic,C2/m [12],-0.662,.,MP,1.16,0.81,.,.,.,.,.,.,DFT,mp-1226505
MMD-3304,AlSiNi6,1,8,tetragonal,P4/mmm [123],-0.443,.,MP,0.09,0.1,.,.,.,.,.,.,DFT,mp-1228041
MMD-3305,AlSiNi2,2,8,monoclinic,P2_1 [4],-0.576,0 (stable),MP,0,0,.,.,.,.,.,.,DFT,mp-1228043
MMD-3306,Al4Ni15Ge,1,20,tetragonal,P4/mmm [123],-0.401,.,MP,0.15,0.16,.,.,.,.,.,.,DFT,mp-1228288
MMD-3307,Al4VNi15,1,20,tetragonal,P4/mmm [123],-0.409,.,MP,0.09,0.09,.,.,.,.,.,.,DFT,mp-1228506
MMD-3308,Al2VNi9,1,12,tetragonal,P4/mmm [123],-0.396,0 (stable),MP,0,0,.,.,.,.,.,.,DFT,mp-1228540
MMD-3309,Al4Ni15,1,19,tetragonal,P4/mmm [123],-0.274,.,MP,0.26,0.26,.,.,.,.,.,.,DFT,mp-1228713
MMD-3310,Al4Ni12C,1,17,tetragonal,P4/mmm [123],-0.374,.,MP,0.04,0.04,.,.,.,.,.,.,DFT,mp-1228788
MMD-3311,AlNiGe,4,12,cubic,F-43m [216],-0.408,.,MP,0,0,.,.,.,.,.,.,DFT,mp-1228803
MMD-3312,AlNi6Ge,1,8,tetragonal,P4/mmm [123],-0.354,.,MP,0.1,0.11,.,.,.,.,.,.,DFT,mp-1228832
MMD-3313,AlVNi2,1,4,tetragonal,P4/mmm [123],-0.386,.,MP,0,0,.,.,.,.,.,.,DFT,mp-1228840
MMD-3314,AlNi4As3,1,8,hexagonal,P-6m2 [187],-0.31,.,MP,0,0,.,.,.,.,.,.,DFT,mp-1228845
MMD-3315,AlNi2As,1,4,hexagonal,P-6m2 [187],-0.345,.,MP,0,0,.,.,.,.,.,.,DFT,mp-1228849
MMD-3316,Al4CrNi15,1,20,tetragonal,P4/mmm [123],-0.356,0 (stable),MP,0.14,0.14,.,.,.,.,.,.,DFT,mp-1228914
MMD-3317,AlGaNi6,1,8,tetragonal,P4/mmm [123],-0.354,0 (stable),MP,0.19,0.19,.,.,.,.,.,.,DFT,mp-1228918
MMD-3318,AlCuNi6,1,8,tetragonal,P4/mmm [123],-0.186,.,MP,0.28,0.3,.,.,.,.,.,.,DFT,mp-1228938
MMD-3319,Al2Cu2Ni,2,10,tetragonal,P4mm [99],-0.263,.,MP,0,0,.,.,.,.,.,.,DFT,mp-1228962
MMD-3320,AlCrNi,4,12,orthorhombic,Imma [74],-0.043,.,MP,0.29,0.26,.,.,.,.,.,.,DFT,mp-1228985
MMD-3321,Al3Ni9C,1,13,tetragonal,P4/mmm [123],-0.362,.,MP,0,0,.,.,.,.,.,.,DFT,mp-1229029
MMD-3322,Al3ZnNi12,1,16,tetragonal,P4/mmm [123],-0.351,.,MP,0.22,0.23,.,.,.,.,.,.,DFT,mp-1229039
MMD-3323,Cr(NiN)3,2,14,hexagonal,P6_3/m [176],0.22,.,MP,0.06,0.07,.,.,.,.,.,.,DFT,mp-1245402
MMD-3324,NiGeN2,16,64,orthorhombic,Pbca [61],0.267,.,MP,0.26,0.27,.,.,.,.,.,.,DFT,mp-1245501
MMD-3325,NiGeN2,2,8,hexagonal,P6_3/mmc [194],0.71,.,MP,0.15,0.19,.,.,.,.,.,.,DFT,mp-1245507
MMD-3326,CrNiN2,4,16,orthorhombic,Cmcm [63],0.076,.,MP,0.11,0.15,.,.,.,.,.,.,DFT,mp-1245595
MMD-3327,Cr2Ni3N4,4,36,monoclinic,C2/c [15],0.03,.,MP,0.12,0.14,.,.,.,.,.,.,DFT,mp-1245694
MMD-3328,VNiN2,2,8,hexagonal,P6_3/mmc [194],-0.164,.,MP,0.18,0.24,.,.,.,.,.,.,DFT,mp-1245731
MMD-3329,Zn5NiN4,2,20,orthorhombic,Pmmn [59],0.292,.,MP,0,0,.,.,.,.,.,.,DFT,mp-1245758
MMD-3330,V2NiN2,2,10,tetragonal,I4/mmm [139],-0.771,.,MP,0,0,.,.,.,.,.,.,DFT,mp-1245760
MMD-3331,NiGeN2,4,16,orthorhombic,Pna2_1 [33],0.244,.,MP,0.49,0.52,.,.,.,.,.,.,DFT,mp-1245842
MMD-3332,Ti(NiN)4,2,18,triclinic,P-1 [2],-0.023,.,MP,0,0,.,.,.,.,.,.,DFT,mp-1245900
MMD-3333,SiNiN2,4,16,orthorhombic,Pna2_1 [33],-0.367,.,MP,0.5,0.57,.,.,.,.,.,.,DFT,mp-1245962
MMD-3334,SiNiN2,16,64,orthorhombic,Pbca [61],-0.333,.,MP,0.26,0.3,.,.,.,.,.,.,DFT,mp-1246007
MMD-3335,Ni(C2N3)3,4,64,orthorhombic,Cmcm [63],0.523,.,MP,0.18,0.13,.,.,.,.,.,.,DFT,mp-1246012
MMD-3336,ZnNi5N4,2,20,orthorhombic,Pmmn [59],0.31,.,MP,0,0,.,.,.,.,.,.,DFT,mp-1246248
MMD-3337,Ni(CN)2,4,20,orthorhombic,Pnma [62],0.586,.,MP,0,0,.,.,.,.,.,.,DFT,mp-1246305
MMD-3338,Zr(NiN)4,2,18,triclinic,P-1 [2],-0.065,.,MP,0,0,.,.,.,.,.,.,DFT,mp-1246335
MMD-3339,SiNiN2,2,8,hexagonal,P6_3/mmc [194],0.139,.,MP,0,0,.,.,.,.,.,.,DFT,mp-1246491
MMD-3340,CrNi2N3,4,24,orthorhombic,Cmc2_1 [36],0.013,.,MP,0,0,.,.,.,.,.,.,DFT,mp-1246517
MMD-3341,Si7NiN10,2,36,monoclinic,Pc [7],-0.765,.,MP,0,0,.,.,.,.,.,.,DFT,mp-1246774
MMD-3342,Al2NiN3,4,24,orthorhombic,Cmc2_1 [36],-0.56,.,MP,0.19,0.21,.,.,.,.,.,.,DFT,mp-1246782
MMD-3343,Y2Ni3N4,4,36,monoclinic,C2/c [15],-0.529,.,MP,0,0,.,.,.,.,.,.,DFT,mp-1246796
MMD-3344,NiGe7N10,2,36,monoclinic,Pc [7],0.213,.,MP,0,0,.,.,.,.,.,.,DFT,mp-1246798
MMD-3345,Ni4CN4,4,36,orthorhombic,Pnma [62],0.334,.,MP,0,0,.,.,.,.,.,.,DFT,mp-1246802
MMD-3346,Ni(GeN)2,4,20,orthorhombic,Pnma [62],0.192,.,MP,0,0,.,.,.,.,.,.,DFT,mp-1246858
MMD-3347,Cr2NiN2,4,20,orthorhombic,Pnma [62],-0.267,.,MP,0,0,.,.,.,.,.,.,DFT,mp-1246927
MMD-3348,Ni2(CN2)3,3,33,trigonal,R32 [155],0.627,.,MP,0.21,0.26,.,.,.,.,.,.,DFT,mp-1246940
MMD-3349,Ni(C4N3)2,2,30,orthorhombic,Pmna [53],0.421,.,MP,0,0,.,.,.,.,.,.,DFT,mp-1247167
MMD-3350,Ni4Se3N2,4,36,orthorhombic,Pnma [62],0.117,.,MP,0,0,.,.,.,.,.,.,DFT,mp-1247275
MMD-3351,Ga2NiN3,4,24,orthorhombic,Cmc2_1 [36],0.078,.,MP,0.18,0.18,.,.,.,.,.,.,DFT,mp-1247292
MMD-3352,Ni2(CN2)3,6,66,trigonal,R-3c [167],0.352,.,MP,0.18,0.2,.,.,.,.,.,.,DFT,mp-1247308
MMD-3353,V(NiN)4,2,18,triclinic,P-1 [2],0.049,.,MP,0,0,.,.,.,.,.,.,DFT,mp-1247423
MMD-3354,VNi2N3,4,24,orthorhombic,Cmcm [63],-0.063,.,MP,0,0,.,.,.,.,.,.,DFT,mp-1247484
MMD-3355,Zr5AlNi4,1,10,tetragonal,P4/m [83],-0.478,.,MP,0,0,.,.,.,.,.,.,DFT,mp-1256151
MMD-3356,Al(NiS2)2,4,28,orthorhombic,Imma [74],-0.439,.,MP,0.19,0.14,.,.,.,.,.,.,DFT,mp-1257394
MMD-3357,ScAl2Ni,4,16,orthorhombic,Cmcm [63],-0.659,0 (stable),MP,0,0,.,.,.,.,.,.,DFT,mp-12781
MMD-3358,Zr6Al2Ni,1,9,hexagonal,P-62m [189],-0.356,.,MP,0,0,.,.,.,.,.,.,DFT,mp-13092
MMD-3359,YAl2Ni,4,16,orthorhombic,Cmcm [63],-0.656,0 (stable),MP,0,0,.,.,.,.,.,.,DFT,mp-13094
MMD-3360,YAlNi,3,9,hexagonal,P-62m [189],-0.605,0 (stable),MP,0,0,.,.,.,.,.,.,DFT,mp-13095
MMD-3361,Y3AlNi8,2,24,hexagonal,P6_3/mmc [194],-0.259,.,MP,0,0,.,.,.,.,.,.,DFT,mp-13096
MMD-3362,Ti3NiS6,3,30,trigonal,R-3 [148],-1.212,0 (stable),MP,0,0,.,.,.,.,.,.,DFT,mp-13993
MMD-3363,Ti3NiS6,2,20,trigonal,P-31c [163],-1.211,.,MP,0,0,.,.,.,.,.,.,DFT,mp-13994
MMD-3364,Zr6Ni20P13,1,39,hexagonal,P-6 [174],-0.885,0 (stable),MP,0,0,.,.,.,.,.,.,DFT,mp-14298
MMD-3365,ScSi3Ni2,4,24,tetragonal,I4/mmm [139],-0.671,.,MP,0,0,.,.,.,.,.,.,DFT,mp-15605
MMD-3366,Zn3Ni2Ge,16,96,cubic,Fd-3m [227],-0.221,.,MP,0,0,.,.,.,.,.,.,DFT,mp-16227
MMD-3367,ZnNi3C,1,5,cubic,Pm-3m [221],-0.079,.,MP,0,0,.,.,.,.,.,.,DFT,mp-16290
MMD-3368,TiNiGe,4,12,orthorhombic,Pnma [62],-0.676,0 (stable),MP,0,0,.,.,.,.,.,.,DFT,mp-16356
MMD-3369,ZnNi2Ge,4,16,cubic,Fm-3m [225],-0.219,.,MP,0,0,.,.,.,.,.,.,DFT,mp-16358
MMD-3370,Y2Si5Ni3,4,40,orthorhombic,Ibam [72],-0.799,0 (stable),MP,0,0,.,.,.,.,.,.,DFT,mp-16914
MMD-3371,Zn3SiNi2,16,96,cubic,Fd-3m [227],-0.326,0 (stable),MP,0,0,.,.,.,.,.,.,DFT,mp-17260
MMD-3372,Ti4Si7Ni4,4,60,tetragonal,I4/mmm [139],-0.716,0 (stable),MP,0,0,.,.,.,.,.,.,DFT,mp-18583
MMD-3373,Zr2Ni12P7,1,21,hexagonal,P-6 [174],-0.737,0 (stable),MP,0,0,.,.,.,.,.,.,DFT,mp-18648
MMD-3374,YSiNi,4,12,orthorhombic,Pnma [62],-0.829,0 (stable),MP,0,0,.,.,.,.,.,.,DFT,mp-20557
MMD-3375,NbNiP,4,12,orthorhombic,Pnma [62],-0.856,0 (stable),MP,0,0,.,.,.,.,.,.,DFT,mp-20932
MMD-3376,NbNiP2,4,16,orthorhombic,Pnma [62],-0.753,0 (stable),MP,0,0,.,.,.,.,.,.,DFT,mp-20948
MMD-3377,ScNiB4,4,24,orthorhombic,Pbam [55],-0.573,0 (stable),MP,0,0,.,.,.,.,.,.,DFT,mp-21081
MMD-3378,ZrNiP,2,6,hexagonal,P6_3/mmc [194],-0.616,.,MP,0,0,.,.,.,.,.,.,DFT,mp-21204
MMD-3379,Ni2Mo4C,16,112,cubic,Fd-3m [227],-0.131,0 (stable),MP,0,0,.,.,.,.,.,.,DFT,mp-21536
MMD-3380,SiNi2As,8,32,orthorhombic,Pbca [61],-0.381,.,MP,0,0,.,.,.,.,.,.,DFT,mp-21598
MMD-3381,YSi3Ni5,4,36,orthorhombic,Pnma [62],-0.721,0 (stable),MP,0,0,.,.,.,.,.,.,DFT,mp-21661
MMD-3382,YNi5Ge3,4,36,orthorhombic,Pnma [62],-0.53,0 (stable),MP,0,0,.,.,.,.,.,.,DFT,mp-21806
MMD-3383,Nb4SiNi,2,12,tetragonal,P4/mcc [124],-0.376,.,MP,0,0,.,.,.,.,.,.,DFT,mp-22396
MMD-3384,Ni(C2N3)2,2,22,orthorhombic,Pnnm [58],0.343,.,MP,0.18,0.15,.,.,.,.,.,.,DFT,mp-22405
MMD-3385,ScSiNi,4,12,orthorhombic,Pnma [62],-0.895,0 (stable),MP,0,0,.,.,.,.,.,.,DFT,mp-22426
MMD-3386,Sc3(NiGe)4,2,22,orthorhombic,Immm [71],-0.738,0 (stable),MP,0,0,.,.,.,.,.,.,DFT,mp-22490
MMD-3387,ZrGaNi2,4,16,cubic,Fm-3m [225],-0.536,.,MP,0,0,.,.,.,.,.,.,DFT,mp-22580
MMD-3388,Ni8Ge2B3,2,26,orthorhombic,Pmmn [59],-0.313,0 (stable),MP,0,0,.,.,.,.,.,.,DFT,mp-22703
MMD-3389,Cr2NiS4,2,14,monoclinic,C2/m [12],-0.559,.,MP,0,0,.,.,.,.,.,.,DFT,mp-27512
MMD-3390,Sc3Si4Ni11,2,36,hexagonal,P6_3/mmc [194],-0.61,.,MP,0,0,.,.,.,.,.,.,DFT,mp-27918
MMD-3391,Si2NiP3,2,12,orthorhombic,Imm2 [44],-0.272,.,MP,0,0,.,.,.,.,.,.,DFT,mp-28945
MMD-3392,Ga3Ni5Ge2,4,40,orthorhombic,Cmcm [63],-0.345,0 (stable),MP,0,0,.,.,.,.,.,.,DFT,mp-29749
MMD-3393,Sc(NiGe)6,4,52,hexagonal,P6/mmm [191],-0.391,.,MP,0,0,.,.,.,.,.,.,DFT,mp-29802
MMD-3394,ZnNi10P3,3,42,trigonal,P-3m1 [164],-0.415,0 (stable),MP,0,0,.,.,.,.,.,.,DFT,mp-29884
MMD-3395,Ga3Ni13Ge6,3,66,trigonal,P3_121 [152],-0.321,.,MP,0,0,.,.,.,.,.,.,DFT,mp-30029
MMD-3396,Zn6Ni7Ge2,8,120,cubic,Fd-3m [227],-0.229,.,MP,0,0,.,.,.,.,.,.,DFT,mp-30030
MMD-3397,Ni6Mo6C,8,104,cubic,Fd-3m [227],-0.111,0 (stable),MP,0,0,.,.,.,.,.,.,DFT,mp-30052
MMD-3398,ZrAl5Ni2,2,16,tetragonal,I4/mmm [139],-0.595,0 (stable),MP,0,0,.,.,.,.,.,.,DFT,mp-30183
MMD-3399,V(NiP4)4,4,84,monoclinic,C2/c [15],-0.319,.,MP,0,0,.,.,.,.,.,.,DFT,mp-30540
MMD-3400,Nb(NiP4)4,4,84,monoclinic,C2/c [15],-0.329,.,MP,0,0,.,.,.,.,.,.,DFT,mp-30541
MMD-3401,ZnCu2Ni,1,4,tetragonal,P4/mmm [123],-0.121,.,MP,0,0,.,.,.,.,.,.,DFT,mp-30593
MMD-3402,TiGaNi,3,9,hexagonal,P-62m [189],-0.546,0 (stable),MP,0,0,.,.,.,.,.,.,DFT,mp-30656
MMD-3403,TiGaNi2,4,16,cubic,Fm-3m [225],-0.534,0 (stable),MP,0,0,.,.,.,.,.,.,DFT,mp-30657
MMD-3404,VGaNi2,4,16,cubic,Fm-3m [225],-0.278,.,MP,0,0,.,.,.,.,.,.,DFT,mp-30658
MMD-3405,YGa2Ni3,3,18,hexagonal,P6/mmm [191],-0.539,0 (stable),MP,0,0,.,.,.,.,.,.,DFT,mp-30659
MMD-3406,Ti4Ga3Ni2,1,9,hexagonal,P-62m [189],-0.445,.,MP,0,0,.,.,.,.,.,.,DFT,mp-30705
MMD-3407,Zn36Ga5Ni8,1,49,cubic,P-43m [215],-0.153,.,MP,0,0,.,.,.,.,.,.,DFT,mp-30707
MMD-3408,Sc2Ni12P7,1,21,hexagonal,P-6 [174],-0.752,0 (stable),MP,0,0,.,.,.,.,.,.,DFT,mp-3084
MMD-3409,ScSi3Ni,4,20,orthorhombic,Cmmm [65],-0.627,0 (stable),MP,0,0,.,.,.,.,.,.,DFT,mp-3129
MMD-3410,Ti6Si7Ni16,4,116,cubic,Fm-3m [225],-0.708,0 (stable),MP,0,0,.,.,.,.,.,.,DFT,mp-3337
MMD-3411,NbGaNi2,4,16,cubic,Fm-3m [225],-0.338,.,MP,0,0,.,.,.,.,.,.,DFT,mp-3539
MMD-3412,Sc(SiNi)2,2,10,tetragonal,I4/mmm [139],-0.796,0 (stable),MP,0,0,.,.,.,.,.,.,DFT,mp-3587
MMD-3413,YAl4Ni,4,24,orthorhombic,Cmcm [63],-0.558,0 (stable),MP,0,0,.,.,.,.,.,.,DFT,mp-3602
MMD-3414,Nb6Si7Ni16,4,116,cubic,Fm-3m [225],-0.604,0 (stable),MP,0,0,.,.,.,.,.,.,DFT,mp-3640
MMD-3415,NiAsS,4,12,cubic,P2_13 [198],-0.329,0 (stable),MP,0,0,.,.,.,.,.,.,DFT,mp-3830
MMD-3416,ZrAlNi2,4,16,cubic,Fm-3m [225],-0.612,0 (stable),MP,0,0,.,.,.,.,.,.,DFT,mp-3944
MMD-3417,YAl3Ni,4,20,orthorhombic,Pnma [62],-0.605,0 (stable),MP,0,0,.,.,.,.,.,.,DFT,mp-4054
MMD-3418,Y3(AlNi3)2,4,44,cubic,Im-3m [229],-0.559,0 (stable),MP,0,0,.,.,.,.,.,.,DFT,mp-4577
MMD-3419,Si2Ni6B,1,9,hexagonal,P-62m [189],-0.474,0 (stable),MP,0,0,.,.,.,.,.,.,DFT,mp-4720
MMD-3420,NbAlNi2,4,16,cubic,Fm-3m [225],-0.442,.,MP,0,0,.,.,.,.,.,.,DFT,mp-4813
MMD-3421,Y4Al23Ni6,2,66,monoclinic,C2/m [12],-0.519,0 (stable),MP,0,0,.,.,.,.,.,.,DFT,mp-4847
MMD-3422,V2NiS4,2,14,monoclinic,C2/m [12],-0.811,.,MP,0,0,.,.,.,.,.,.,DFT,mp-4909
MMD-3423,CrNiAs,3,9,hexagonal,P-62m [189],-0.195,0 (stable),MP,0.99,0.86,.,.,.,.,.,.,DFT,mp-4989
MMD-3424,V3SiNi2,16,96,cubic,Fd-3m [227],-0.305,.,MP,0,0,.,.,.,.,.,.,DFT,mp-504625
MMD-3425,NbNiAs2,4,16,orthorhombic,Pnma [62],-0.486,0 (stable),MP,0,0,.,.,.,.,.,.,DFT,mp-504835
MMD-3426,Ti2NiP5,4,32,orthorhombic,Pnma [62],-0.76,0 (stable),MP,0,0,.,.,.,.,.,.,DFT,mp-505081
MMD-3427,Zr9(NiP2)2,2,30,tetragonal,P4/mbm [127],-1.005,0 (stable),MP,0,0,.,.,.,.,.,.,DFT,mp-505278
MMD-3428,Al3(Ni10B3)2,4,116,cubic,Fm-3m [225],-0.4,0 (stable),MP,0,0,.,.,.,.,.,.,DFT,mp-505472
MMD-3429,Al(Ni10B7)2,4,140,cubic,Fm-3m [225],-0.281,.,MP,0,0,.,.,.,.,.,.,DFT,mp-505473
MMD-3430,Zr(Ni2P)2,2,14,tetragonal,P4_2/mnm [136],-0.812,0 (stable),MP,0,0,.,.,.,.,.,.,DFT,mp-505598
MMD-3431,NiPS,4,12,cubic,P2_13 [198],-0.368,.,MP,0,0,.,.,.,.,.,.,DFT,mp-505820
MMD-3432,YAl3Ni2,3,18,hexagonal,P6/mmm [191],-0.664,0 (stable),MP,0,0,.,.,.,.,.,.,DFT,mp-5063
MMD-3433,TiSiNi,4,12,orthorhombic,Pnma [62],-0.849,0 (stable),MP,0,0,.,.,.,.,.,.,DFT,mp-510409
MMD-3434,SiNi2P,8,32,orthorhombic,Pbca [61],-0.457,.,MP,0,0,.,.,.,.,.,.,DFT,mp-510422
MMD-3435,Y(NiGe)2,2,10,tetragonal,I4/mmm [139],-0.692,0 (stable),MP,0,0,.,.,.,.,.,.,DFT,mp-5109
MMD-3436,Zr2(Ni7B2)3,4,116,cubic,Fm-3m [225],-0.378,0 (stable),MP,0,0,.,.,.,.,.,.,DFT,mp-5172
MMD-3437,Y(SiNi)2,2,10,tetragonal,I4/mmm [139],-0.864,0 (stable),MP,0,0,.,.,.,.,.,.,DFT,mp-5176
MMD-3438,Ni5(Mo3Se4)8,1,61,triclinic,P1 [1],-0.473,.,MP,0,0,.,.,.,.,.,.,DFT,mp-530701
MMD-3439,Sc6Si7Ni16,4,116,cubic,Fm-3m [225],-0.766,0 (stable),MP,0,0,.,.,.,.,.,.,DFT,mp-5382
MMD-3440,Nb3SiNi2,16,96,cubic,Fd-3m [227],-0.41,.,MP,0,0,.,.,.,.,.,.,DFT,mp-540747
MMD-3441,Y6Ni20P13,1,39,hexagonal,P-6 [174],-0.919,0 (stable),MP,0,0,.,.,.,.,.,.,DFT,mp-541124
MMD-3442,Zr2(NiP)3,4,32,orthorhombic,Pnma [62],-1.062,0 (stable),MP,0,0,.,.,.,.,.,.,DFT,mp-541909
MMD-3443,Cr6Si7Ni16,4,116,cubic,Fm-3m [225],-0.34,.,MP,0.59,0.59,.,.,.,.,.,.,DFT,mp-541940
MMD-3444,Sc3(Si2Ni)2,4,36,orthorhombic,Pnma [62],-0.846,0 (stable),MP,0,0,.,.,.,.,.,.,DFT,mp-542486
MMD-3445,NiCN2,2,8,hexagonal,P6_3/mmc [194],0.304,.,MP,0.13,0.15,.,.,.,.,.,.,DFT,mp-567262
MMD-3446,NiMoP8,2,20,trigonal,P-31c [163],-0.288,.,MP,0,0,.,.,.,.,.,.,DFT,mp-5673
MMD-3447,Sc4Si7Ni12,6,138,orthorhombic,Immm [71],-0.723,.,MP,0,0,.,.,.,.,.,.,DFT,mp-567443
MMD-3448,Y3Ni13B2,1,18,hexagonal,P6/mmm [191],-0.429,.,MP,0.07,0.06,.,.,.,.,.,.,DFT,mp-567863
MMD-3449,Y(NiP)2,2,10,tetragonal,I4/mmm [139],-1.016,0 (stable),MP,0,0,.,.,.,.,.,.,DFT,mp-568940
MMD-3450,Ni3Mo3C,16,112,cubic,Fd-3m [227],-0.095,.,MP,0,0,.,.,.,.,.,.,DFT,mp-569179
MMD-3451,V2NiSe4,2,14,monoclinic,C2/m [12],-0.523,.,MP,0.3,0.19,.,.,.,.,.,.,DFT,mp-569662
MMD-3452,Sc6Si11Ni18,4,140,orthorhombic,Immm [71],-0.767,0 (stable),MP,0,0,.,.,.,.,.,.,DFT,mp-570147
MMD-3453,Y11(Ni10C)6,2,154,cubic,Im-3m [229],-0.274,.,MP,0.03,0.03,.,.,.,.,.,.,DFT,mp-570148
MMD-3454,Zr6Si7Ni16,4,116,cubic,Fm-3m [225],-0.778,0 (stable),MP,0,0,.,.,.,.,.,.,DFT,mp-570166
MMD-3455,Sc6Ni16Ge7,4,116,cubic,Fm-3m [225],-0.602,0 (stable),MP,0,0,.,.,.,.,.,.,DFT,mp-570547
MMD-3456,ZrAlNi,3,9,hexagonal,P-62m [189],-0.66,0 (stable),MP,0,0,.,.,.,.,.,.,DFT,mp-5723
MMD-3457,Si2Ni7P5,4,56,orthorhombic,Pbcn [60],-0.421,.,MP,0,0,.,.,.,.,.,.,DFT,mp-582159
MMD-3458,Ti6Ni16Ge7,4,116,cubic,Fm-3m [225],-0.49,.,MP,0,0,.,.,.,.,.,.,DFT,mp-582759
MMD-3459,Y2AlNi2,2,10,orthorhombic,Immm [71],-0.538,0 (stable),MP,0,0,.,.,.,.,.,.,DFT,mp-604516
MMD-3460,Ni2GeP,8,32,orthorhombic,Pbca [61],-0.355,.,MP,0,0,.,.,.,.,.,.,DFT,mp-618929
MMD-3461,Ni6Mo2P3,2,22,orthorhombic,Pmmn [59],-0.469,.,MP,0,0,.,.,.,.,.,.,DFT,mp-630883
MMD-3462,V6Si7Ni16,4,116,cubic,Fm-3m [225],-0.472,.,MP,0.23,0.23,.,.,.,.,.,.,DFT,mp-636953
MMD-3463,Zr5AlNi4,2,20,tetragonal,P4_2/m [84],-0.478,.,MP,0,0,.,.,.,.,.,.,DFT,mp-637263
MMD-3464,Sc9Ni5Ge8,2,44,orthorhombic,Immm [71],-0.768,.,MP,0,0,.,.,.,.,.,.,DFT,mp-637866
MMD-3465,Zr4AlNi2,16,112,cubic,Fd-3m [227],0.117,.,MP,0.01,0,.,.,.,.,.,.,DFT,mp-645193
MMD-3466,Sc2(Ni7B2)3,4,116,cubic,Fm-3m [225],-0.379,0 (stable),MP,0,0,.,.,.,.,.,.,DFT,mp-647205
MMD-3467,Si2Ni5P3,8,80,orthorhombic,Pbca [61],-0.421,.,MP,0,0,.,.,.,.,.,.,DFT,mp-649521
MMD-3468,Ni5Ge2P3,8,80,orthorhombic,Pbca [61],-0.375,.,MP,0,0,.,.,.,.,.,.,DFT,mp-662818
MMD-3469,Zr6Ni16Ge7,4,116,cubic,Fm-3m [225],-0.598,0 (stable),MP,0,0,.,.,.,.,.,.,DFT,mp-672651
MMD-3470,Nb6Ni16Ge7,4,116,cubic,Fm-3m [225],-0.375,.,MP,0,0,.,.,.,.,.,.,DFT,mp-672653
MMD-3471,NiPS3,4,20,monoclinic,C2/m [12],-0.193,.,MP,0,0,.,.,.,.,.,.,DFT,mp-676040
MMD-3472,V3NiS6,3,30,trigonal,R-3 [148],-0.81,.,MP,0.15,0.11,.,.,.,.,.,.,DFT,mp-676058
MMD-3473,Ti7Ni3N10,2,40,orthorhombic,Imm2 [44],-0.902,.,MP,0,0,.,.,.,.,.,.,DFT,mp-676800
MMD-3474,NiMo3S4,2,16,triclinic,P-1 [2],-0.598,.,MP,0,0,.,.,.,.,.,.,DFT,mp-685980
MMD-3475,Ga2NiS4,1,7,trigonal,P-3m1 [164],-0.511,.,MP,0,0,.,.,.,.,.,.,DFT,mp-6959
MMD-3476,V4NiS8,2,26,monoclinic,C2/m [12],-0.831,.,MP,0.24,0.17,.,.,.,.,.,.,DFT,mp-696867
MMD-3477,ScNiGe,4,12,orthorhombic,Pnma [62],-0.818,0 (stable),MP,0,0,.,.,.,.,.,.,DFT,mp-7066
MMD-3478,TiAlNi2,4,16,cubic,Fm-3m [225],-0.626,0 (stable),MP,0,0,.,.,.,.,.,.,DFT,mp-7187
MMD-3479,YNi4B,2,12,hexagonal,P6/mmm [191],-0.486,0 (stable),MP,0,0,.,.,.,.,.,.,DFT,mp-7559
MMD-3480,NiMoP,3,9,hexagonal,P-62m [189],-0.562,0 (stable),MP,0,0,.,.,.,.,.,.,DFT,mp-7632
MMD-3481,Cr11Ni40Mo9,1,60,triclinic,P1 [1],-0.049,.,MP,0.02,0.02,.,.,.,.,.,.,DFT,mp-766580
MMD-3482,Cr8Ni50Mo17,1,75,triclinic,P1 [1],-0.065,.,MP,0.02,0.02,.,.,.,.,.,.,DFT,mp-766895
MMD-3483,Cr22Ni50Mo3,1,75,triclinic,P1 [1],-0.035,0 (stable),MP,0.03,0.03,.,.,.,.,.,.,DFT,mp-767825
MMD-3484,Cr7Ni20Mo3,2,60,triclinic,P1 [1],-0.04,.,MP,0.05,0.05,.,.,.,.,.,.,DFT,mp-768498
MMD-3485,Cr7Ni20Mo3,3,90,triclinic,P1 [1],-0.039,.,MP,0.05,0.05,.,.,.,.,.,.,DFT,mp-768654
MMD-3486,Ni(PS3)2,2,18,monoclinic,C2 [5],-0.132,.,MP,0,0,.,.,.,.,.,.,DFT,mp-769218
MMD-3487,Zr(SiNi)2,2,10,tetragonal,I4/mmm [139],-0.828,0 (stable),MP,0,0,.,.,.,.,.,.,DFT,mp-7707
MMD-3488,Cr11Ni40Mo9,2,120,triclinic,P1 [1],-0.045,.,MP,0.03,0.03,.,.,.,.,.,.,DFT,mp-771746
MMD-3489,V2NiSe4,2,14,monoclinic,C2/m [12],-0.593,.,MP,0,0,.,.,.,.,.,.,DFT,mp-7823
MMD-3490,Si3NiP4,2,16,tetragonal,I-42m [121],-0.248,0 (stable),MP,0,0,.,.,.,.,.,.,DFT,mp-8311
MMD-3491,Ni3GeC,1,5,cubic,Pm-3m [221],0.072,.,MP,0,0,.,.,.,.,.,.,DFT,mp-8370
MMD-3492,Sc3Si3Ni,4,28,monoclinic,C2/m [12],-0.867,0 (stable),MP,0,0,.,.,.,.,.,.,DFT,mp-8392
MMD-3493,YNiGe3,4,20,orthorhombic,Cmmm [65],-0.58,0 (stable),MP,0,0,.,.,.,.,.,.,DFT,mp-8467
MMD-3494,Nb4Ni2C,16,112,cubic,Fd-3m [227],-0.397,0 (stable),MP,0,0,.,.,.,.,.,.,DFT,mp-864841
MMD-3495,TiZnNi2,4,16,cubic,Fm-3m [225],-0.406,0 (stable),MP,0,0,.,.,.,.,.,.,DFT,mp-865093
MMD-3496,Ti6Al16Ni7,4,116,cubic,Fm-3m [225],-0.567,0 (stable),MP,0,0,.,.,.,.,.,.,DFT,mp-865235
MMD-3497,Ti2NiMo,4,16,cubic,Fm-3m [225],-0.28,0 (stable),MP,0,0,.,.,.,.,.,.,DFT,mp-865591
MMD-3498,Al(Ni3B2)4,12,252,orthorhombic,Cmce [64],-0.329,0 (stable),MP,0,0,.,.,.,.,.,.,DFT,mp-866315
MMD-3499,Ti13Si31Ni40,2,168,hexagonal,P6/mmm [191],-0.702,0 (stable),MP,0,0,.,.,.,.,.,.,DFT,mp-867049
MMD-3500,Zr2NiAs2,2,10,hexagonal,P6_3/mmc [194],-1.018,0 (stable),MP,0,0,.,.,.,.,.,.,DFT,mp-8786
MMD-3501,AlVNi,4,12,cubic,F-43m [216],0.376,.,MP,0,0,.,.,.,.,.,.,DFT,mp-961650
MMD-3502,YNiP,4,12,cubic,F-43m [216],-0.936,.,MP,0,0,.,.,.,.,.,.,DFT,mp-961657
MMD-3503,ZrNiGe,4,12,cubic,F-43m [216],0.036,.,MP,0,0,.,.,.,.,.,.,DFT,mp-961662
MMD-3504,ScNiP,4,12,cubic,F-43m [216],-1.041,.,MP,0,0,.,.,.,.,.,.,DFT,mp-961675
MMD-3505,VGaNi,4,12,cubic,F-43m [216],0.311,.,MP,0,0,.,.,.,.,.,.,DFT,mp-961690
MMD-3506,ZnCuNi2,4,16,cubic,Fm-3m [225],-0.11,.,MP,0,0,.,.,.,.,.,.,DFT,mp-971738
MMD-3507,ScZnNi2,4,16,cubic,Fm-3m [225],-0.416,.,MP,0,0,.,.,.,.,.,.,DFT,mp-972935
MMD-3508,Ga3(Ni10B3)2,4,116,cubic,Fm-3m [225],-0.321,0 (stable),MP,0,0,.,.,.,.,.,.,DFT,mp-977324
MMD-3509,NbNiB,4,12,orthorhombic,Cmcm [63],-0.589,.,MP,0,0,.,.,.,.,.,.,DFT,mp-9985
MMD-3510,Ti2GaNi,4,16,cubic,F-43m [216],-0.26,.,MP,0.75,0.6,.,.,.,.,.,.,DFT,mp-999053
MMD-3511,Ni(BMo)2,2,10,orthorhombic,Immm [71],-0.493,0 (stable),MP,0,0,.,.,.,.,.,.,DFT,mp-9999
MMD-3512,Zn(NiS2)2,8,56,cubic,Fd-3m [227],-0.378,.,MP,0,0,.,.,.,.,.,.,DFT,mvc-11132
MMD-3513,Zn(NiS2)4,3,39,trigonal,R-3m [166],-0.267,.,MP,0,0,.,.,.,.,.,.,DFT,mvc-11273
MMD-3514,Zn(NiS2)4,3,39,trigonal,R-3m [166],-0.275,.,MP,0,0,.,.,.,.,.,.,DFT,mvc-11286
MMD-3515,ZnNi2S5,2,16,orthorhombic,Pmmn [59],-0.239,.,MP,0,0,.,.,.,.,.,.,DFT,mvc-12967
MMD-3516,Zn(NiN)2,1,5,tetragonal,P-4m2 [115],0.485,.,MP,0,0,.,.,.,.,.,.,DFT,mvc-13905
MMD-3517,Zn2NiN2,4,20,monoclinic,C2/m [12],0.221,.,MP,0,0,.,.,.,.,.,.,DFT,mvc-15400
MMD-3518,Zn(NiS2)2,2,14,triclinic,P-1 [2],-0.288,.,MP,0,0,.,.,.,.,.,.,DFT,mvc-16786
MMD-3519,CrFeCoNi,2,8,monoclinic,Pm [6],0.004,.,MP,0.3,0.32,.,.,.,.,.,.,DFT,mp-1012640
MMD-3520,TiFeCoGe,4,16,cubic,F-43m [216],-0.457,.,MP,0.25,0.24,.,.,.,.,.,.,DFT,mp-1018012
MMD-3521,MnFeCoGe,4,16,cubic,F-43m [216],-0.162,.,MP,1.01,1,<111>,.,.,.,0,.,DFT,mp-1018024
MMD-3522,CrFeCoNi,16,64,triclinic,P1 [1],0.072,.,MP,0.63,0.67,.,.,.,.,.,.,DFT,mp-1096923
MMD-3523,Mn5Fe2BC2,4,40,orthorhombic,Pnma [62],-0.109,.,MP,0.05,0.07,.,.,.,.,.,.,DFT,mp-1196534
MMD-3524,CrFeCoSi,4,16,cubic,F-43m [216],-0.295,.,MP,0.75,0.79,.,.,.,.,.,.,DFT,mp-1213726
MMD-3525,ZrScMnNi3,3,18,trigonal,R3m [160],-0.397,.,MP,0.44,0.36,ab plane,-0.79,.,.,.,.,DFT,mp-1215226
MMD-3526,Ti4FeCoS8,1,14,triclinic,P-1 [2],-1.144,.,MP,0.07,0.05,.,.,.,.,.,.,DFT,mp-1217221
MMD-3527,ScGa4Fe3Co8,3,48,trigonal,R-3m [166],-0.249,.,MP,0.95,0.91,.,.,.,.,.,.,DFT,mp-1219338
MMD-3528,MnAlFeCo,4,16,cubic,F-43m [216],-0.25,.,MP,0.75,0.76,.,.,.,.,.,.,DFT,mp-1221633
MMD-3529,MnFeSeS,3,12,trigonal,R3m [160],-0.051,.,MP,0.62,0.52,.,.,.,.,.,.,DFT,mp-1221700
MMD-3530,MnCo21B6Mo,4,116,cubic,F-43m [216],-0.2,.,MP,0.76,0.91,.,.,.,.,.,.,DFT,mp-1221854
MMD-3531,Mn2SiNi2Ge,2,12,orthorhombic,Pmc2_1 [26],-0.357,.,MP,0.96,0.9,a,-0.65,-0.55,0.11,.,.,DFT,mp-1221860
MMD-3532,Mn2FeCoP2,2,12,orthorhombic,Pmc2_1 [26],-0.588,0 (stable),MP,0.95,0.98,a,-0.52,-0.3,0.21,.,.,DFT,mp-1221920
MMD-3533,Mn3FeCo2P3,4,36,monoclinic,Pm [6],-0.602,0 (stable),MP,0.97,1,b,-0.33,-0.51,-0.18,.,.,DFT,mp-1221995
MMD-3534,Mn4CoNi3Ge4,1,12,monoclinic,Pm [6],-0.221,.,MP,1.02,0.91,b,-0.24,-0.46,-0.22,.,.,DFT,mp-1222036
MMD-3535,Mn2Fe4SiGe,3,24,trigonal,R-3m [166],-0.219,.,MP,0.75,0.78,ab plane,-0.18,.,.,.,.,DFT,mp-1222068
MMD-3536,Mn2GaCo4Ge,3,24,trigonal,R-3m [166],-0.232,0 (stable),MP,1.13,1.12,ab plane,-0.02,.,.,.,.,DFT,mp-1222096
MMD-3537,Mn4Fe8SiGe3,3,48,trigonal,R-3m [166],-0.159,.,MP,0.75,0.76,.,.,.,.,.,.,DFT,mp-1222097
MMD-3538,Mn4Co4Si3Ge,1,12,monoclinic,Pm [6],-0.375,.,MP,1.19,1.13,b,0.17,-0.21,-0.38,.,.,DFT,mp-1222104
MMD-3539,Mn2Co2SiGe,2,12,orthorhombic,Pmc2_1 [26],-0.309,.,MP,1.21,1.13,a,-0.19,0.15,0.34,.,.,DFT,mp-1222109
MMD-3540,Mn4Ga3Co8Ge,3,48,trigonal,R-3m [166],-0.222,0 (stable),MP,1.08,1.07,.,.,.,.,.,.,DFT,mp-1222222
MMD-3541,FeCo(NiS2)4,4,56,cubic,F-43m [216],-0.389,.,MP,0,0,.,.,.,.,.,.,DFT,mp-1224992
MMD-3542,Fe3Ni(Mo3N)2,2,24,monoclinic,P2_1 [4],-0.193,.,MP,0.51,0.48,b,0.11,-0.17,-0.29,.,.,DFT,mp-1225027
MMD-3543,FeCo16NiS16,1,34,tetragonal,P4/mmm [123],-0.479,.,MP,0,0,.,.,.,.,.,.,DFT,mp-1225063
MMD-3544,FeNi(PS3)2,2,20,monoclinic,C2 [5],-0.217,.,MP,0.6,0.35,.,.,.,.,.,.,DFT,mp-1225067
MMD-3545,GaFe2Co4Si,3,24,trigonal,R-3m [166],-0.299,0 (stable),MP,1.34,1.37,c,0.01,.,.,.,.,DFT,mp-1225089
MMD-3546,FeNiMo3N,4,24,cubic,P2_13 [198],-0.216,.,MP,0.36,0.34,<111>,.,.,.,-0.06,.,DFT,mp-1225097
MMD-3547,GaFe4Co8Si3,3,48,trigonal,R-3m [166],-0.329,.,MP,1.36,1.41,.,.,.,.,.,.,DFT,mp-1225114
MMD-3548,FeNi3(Mo3N)2,2,24,monoclinic,P2_1 [4],-0.245,.,MP,0.18,0.17,b,0.04,-0.17,-0.2,.,.,DFT,mp-1225439
MMD-3549,Co4CuNiS8,4,56,cubic,F-43m [216],-0.455,.,MP,0,0,.,.,.,.,.,.,DFT,mp-1226044
MMD-3550,CoNi(AsS)2,2,12,monoclinic,P2_1 [4],-0.37,.,MP,0,0,.,.,.,.,.,.,DFT,mp-1226061
MMD-3551,CoNi(PS3)2,2,20,monoclinic,C2 [5],-0.231,.,MP,0.1,0.06,.,.,.,.,.,.,DFT,mp-1226098
MMD-3552,Cr8Co3NiS16,1,28,tetragonal,P-4m2 [115],-0.588,.,MP,0.94,0.66,.,.,.,.,.,.,DFT,mp-1226110
MMD-3553,CoCuNiS4,4,28,orthorhombic,Imma [74],-0.392,.,MP,0,0,.,.,.,.,.,.,DFT,mp-1226116
MMD-3554,Cr4FeNiS8,4,56,cubic,F-43m [216],-0.618,.,MP,0.94,0.65,.,.,.,.,.,.,DFT,mp-1226289
MMD-3555,Cr4FeCoS8,4,56,cubic,F-43m [216],-0.57,.,MP,1.16,0.8,.,.,.,.,.,.,DFT,mp-1226300
MMD-3556,Cr4CoNiS8,4,56,cubic,F-43m [216],-0.613,.,MP,0.82,0.58,.,.,.,.,.,.,DFT,mp-1226342
MMD-3557,FeNi2(CN)6,4,60,cubic,F-43m [216],0.627,.,MP,0.19,0.13,.,.,.,.,.,.,DFT,mp-21498
MMD-3558,FeCo2(CN)6,4,60,cubic,F-43m [216],0.55,.,MP,0.16,0.12,.,.,.,.,.,.,DFT,mp-22015
MMD-3559,Mn2Fe(CN)6,1,15,trigonal,P-31m [162],0.116,.,MP,0.67,0.57,ab plane,-0.32,.,.,.,.,DFT,mp-567650
MMD-3560,TiGaFeCo,4,16,cubic,F-43m [216],-0.46,0 (stable),MP,0,0,.,.,.,.,.,.,DFT,mp-998964
MMD-3561,TiFeCoSi,4,16,cubic,F-43m [216],-0.65,.,MP,0.25,0.25,.,.,.,.,.,.,DFT,mp-998971
MMD-3562,TiFeCoAs,4,16,cubic,F-43m [216],-0.347,.,MP,0.5,0.47,.,.,.,.,.,.,DFT,mp-998974
MMD-3563,TiAlFeCo,4,16,cubic,F-43m [216],-0.576,0 (stable),MP,0,0,.,.,.,.,.,.,DFT,mp-998980
MMD-3564,MnGaFeCo,4,16,cubic,F-43m [216],-0.115,.,MP,0.76,0.76,.,.,.,.,.,.,DFT,mp-999552
MMD-3565,CrN,1,2,cubic,Pm-3m [221],0.156,0.687,MP,0.46,0.67,.,.,.,.,.,.,DFT,mp-1009485
MMD-3566,CrSe2,1,3,trigonal,P-3m1 [164],-0.467,0 (stable),MP,0.74,0.41,.,.,.,.,.,.,DFT,mp-1009581
MMD-3567,CrN2,4,12,cubic,Fm-3m [225],0.687,1.041,MP,0.35,0.46,.,.,.,.,.,.,DFT,mp-1014264
MMD-3568,Cr3N2,2,10,tetragonal,I4/mmm [139],-0.369,0.089,MP,0.34,0.42,.,.,.,.,.,.,DFT,mp-1014303
MMD-3569,Cr3N2,16,80,cubic,Ia-3 [206],-0.341,0.117,MP,0.33,0.41,.,.,.,.,.,.,DFT,mp-1014318
MMD-3570,CrN2,12,36,tetragonal,P4_32_12 [96],0.112,0.465,MP,0,0,.,.,.,.,.,.,DFT,mp-1014339
MMD-3571,Cr3N4,2,14,hexagonal,P6_3/m [176],-0.32,0.135,MP,0.2,0.23,.,.,.,.,.,.,DFT,mp-1014345
MMD-3572,Cr3N4,4,28,cubic,I-43d [220],-0.253,0.202,MP,0.68,0.71,.,.,.,.,.,.,DFT,mp-1014347
MMD-3573,Cr3N4,4,28,orthorhombic,Pnma [62],-0.321,0.134,MP,0.84,0.97,.,.,.,.,.,.,DFT,mp-1014358
MMD-3574,Cr3N4,4,28,orthorhombic,Pnma [62],-0.215,0.24,MP,0.67,0.86,.,.,.,.,.,.,DFT,mp-1014365
MMD-3575,CrN2,2,6,tetragonal,P4_2/mnm [136],0.272,0.626,MP,0.01,0.01,.,.,.,.,.,.,DFT,mp-1014366
MMD-3576,Cr3N4,4,28,trigonal,P31c [159],-0.297,0.158,MP,0.72,0.68,.,.,.,.,.,.,DFT,mp-1014369
MMD-3577,CrN2,8,24,cubic,Fd-3m [227],0.088,0.442,MP,0,0,.,.,.,.,.,.,DFT,mp-1014373
MMD-3578,Cr3N4,8,56,cubic,Fd-3m [227],-0.304,0.151,MP,0.81,0.97,.,.,.,.,.,.,DFT,mp-1014379
MMD-3579,Cr3N2,4,20,orthorhombic,Pbcn [60],-0.304,0.154,MP,0.19,0.24,.,.,.,.,.,.,DFT,mp-1014444
MMD-3580,Cr3N2,1,5,trigonal,P-3m1 [164],-0.136,0.322,MP,0.45,0.54,.,.,.,.,.,.,DFT,mp-1014454
MMD-3581,Cr3N4,1,7,cubic,Pm-3m [221],-0.13,0.325,MP,0.47,0.61,.,.,.,.,.,.,DFT,mp-1014460
MMD-3582,CrN2,4,12,orthorhombic,Ibam [72],0.37,0.724,MP,0,0,.,.,.,.,.,.,DFT,mp-1014478
MMD-3583,Cr3N4,2,14,hexagonal,P6_3/m [176],-0.303,0.152,MP,0.77,0.72,.,.,.,.,.,.,DFT,mp-1014558
MMD-3584,CrN2,48,144,orthorhombic,Cmcm [63],0.095,0.449,MP,0,0,.,.,.,.,.,.,DFT,mp-1014565
MMD-3585,CrN2,8,24,orthorhombic,I2_12_12_1 [24],0.263,0.617,MP,0,0,.,.,.,.,.,.,DFT,mp-1014910
MMD-3586,CrN2,4,12,cubic,Pa-3 [205],0.068,0.422,MP,0.74,0.96,.,.,.,.,.,.,DFT,mp-1014993
MMD-3587,CrN2,36,108,trigonal,R-3m [166],0.114,0.468,MP,0.02,0.01,.,.,.,.,.,.,DFT,mp-1014995
MMD-3588,CrN2,8,24,monoclinic,Cc [9],0.19,0.544,MP,0,0,.,.,.,.,.,.,DFT,mp-1015026
MMD-3589,Cr3N4,4,28,trigonal,P31c [159],-0.138,0.316,MP,0.86,0.82,.,.,.,.,.,.,DFT,mp-1015065
MMD-3590,CrN2,4,12,monoclinic,Pc [7],0.358,0.712,MP,0,0,.,.,.,.,.,.,DFT,mp-1015076
MMD-3591,CrN2,4,12,monoclinic,P2 [3],0.368,0.722,MP,0,0,.,.,.,.,.,.,DFT,mp-1015567
MMD-3592,CrN2,4,12,orthorhombic,Pbcn [60],0.257,0.611,MP,0,0,.,.,.,.,.,.,DFT,mp-1015582
MMD-3593,CrN2,3,9,hexagonal,P6_222 [180],0.338,0.692,MP,0.78,0.77,.,.,.,.,.,.,DFT,mp-1015612
MMD-3594,CrN2,3,9,trigonal,P3_221 [154],0.222,0.576,MP,0.39,0.59,.,.,.,.,.,.,DFT,mp-1015908
MMD-3595,CrN2,32,96,monoclinic,P2_1/m [11],0.116,0.47,MP,0,0,.,.,.,.,.,.,DFT,mp-1016048
MMD-3596,CrN2,8,24,orthorhombic,Ima2 [46],0.1,0.454,MP,0,0,.,.,.,.,.,.,DFT,mp-1016058
MMD-3597,CrN2,32,96,tetragonal,I4_1/amd [141],0.145,0.499,MP,0.03,0.01,.,.,.,.,.,.,DFT,mp-1016059
MMD-3598,CrN2,4,12,triclinic,P1 [1],0.188,0.542,MP,0,0,.,.,.,.,.,.,DFT,mp-1016063
MMD-3599,CrN2,4,12,triclinic,P1 [1],0.228,0.582,MP,0,0,.,.,.,.,.,.,DFT,mp-1016069
MMD-3600,CrN2,4,12,monoclinic,P2_1 [4],0.087,0.44,MP,0,0,.,.,.,.,.,.,DFT,mp-1016070
MMD-3601,CrN2,12,36,hexagonal,P6_3/mmc [194],0.16,0.514,MP,0,0,.,.,.,.,.,.,DFT,mp-1016073
MMD-3602,CrN2,32,96,cubic,Fd-3m [227],0.284,0.637,MP,0,0,.,.,.,.,.,.,DFT,mp-1016076
MMD-3603,CrN2,48,144,cubic,Im-3m [229],0.286,0.639,MP,0,0,.,.,.,.,.,.,DFT,mp-1016078
MMD-3604,CrN2,32,96,orthorhombic,Imma [74],0.104,0.458,MP,0,0,.,.,.,.,.,.,DFT,mp-1016081
MMD-3605,CrC,1,2,hexagonal,P-6m2 [187],-0.093,0.052,MP,0,0,.,.,.,.,.,.,DFT,mp-1018050
MMD-3606,CrN,4,8,cubic,F-43m [216],-0.502,0.028,MP,0.94,1.03,.,.,.,.,.,.,DFT,mp-1018157
MMD-3607,CrSe2,2,6,monoclinic,C2/m [12],-0.453,0.014,MP,0.73,0.21,.,.,.,.,.,.,DFT,mp-1061769
MMD-3608,CrGa4,2,10,cubic,Im-3m [229],-0.142,0 (stable),MP,0,0,.,.,.,.,.,.,DFT,mp-1070544
MMD-3609,Nb2Cr,8,24,cubic,Fd-3m [227],0.749,0.772,MP,0.12,0.07,.,.,.,.,.,.,DFT,mp-1077258
MMD-3610,CrB4,2,10,orthorhombic,Pnnm [58],-0.316,0 (stable),MP,0,0,.,.,.,.,.,.,DFT,mp-1078278
MMD-3611,CrN2,2,6,orthorhombic,Pnnm [58],-0.072,0.282,MP,0.71,0.94,.,.,.,.,.,.,DFT,mp-1080200
MMD-3612,CrB,8,16,tetragonal,I4_1/amd [141],-0.542,0 (stable),MP,0,0,.,.,.,.,.,.,DFT,mp-1080664
MMD-3613,NbCr2,4,12,hexagonal,P6_3/mmc [194],-0.029,0.017,MP,0,0,.,.,.,.,.,.,DFT,mp-1095643
MMD-3614,Cr3N2,6,30,trigonal,R-3c [167],-0.427,0.031,MP,0,0,.,.,.,.,.,.,DFT,mp-1096882
MMD-3615,Cr3N2,2,10,hexagonal,P6_3/mmc [194],-0.075,0.384,MP,0.26,0.31,.,.,.,.,.,.,DFT,mp-1096885
MMD-3616,CrN2,4,12,triclinic,P1 [1],0.16,0.514,MP,0,0,.,.,.,.,.,.,DFT,mp-1096886
MMD-3617,CrN2,8,24,monoclinic,C2 [5],0.188,0.542,MP,0,0,.,.,.,.,.,.,DFT,mp-1096888
MMD-3618,CrN2,4,12,triclinic,P1 [1],0.335,0.689,MP,0,0,.,.,.,.,.,.,DFT,mp-1096889
MMD-3619,CrN2,8,24,monoclinic,C2 [5],0.212,0.566,MP,0,0,.,.,.,.,.,.,DFT,mp-1096890
MMD-3620,CrN2,8,24,monoclinic,C2 [5],0.21,0.564,MP,0,0,.,.,.,.,.,.,DFT,mp-1096894
MMD-3621,CrN2,4,12,monoclinic,Pm [6],0.33,0.684,MP,0,0,.,.,.,.,.,.,DFT,mp-1096896
MMD-3622,CrN2,4,12,triclinic,P1 [1],0.227,0.581,MP,0,0,.,.,.,.,.,.,DFT,mp-1096899
MMD-3623,CrN2,4,12,triclinic,P1 [1],0.231,0.585,MP,0,0,.,.,.,.,.,.,DFT,mp-1096900
MMD-3624,CrN2,8,24,monoclinic,C2/c [15],0.128,0.482,MP,0,0,.,.,.,.,.,.,DFT,mp-1096903
MMD-3625,CrN2,12,36,monoclinic,C2/c [15],0.125,0.478,MP,0,0,.,.,.,.,.,.,DFT,mp-1096907
MMD-3626,CrN2,16,48,monoclinic,C2/c [15],0.128,0.482,MP,0,0,.,.,.,.,.,.,DFT,mp-1096908
MMD-3627,CrN2,8,24,monoclinic,C2/c [15],0.115,0.469,MP,0,0,.,.,.,.,.,.,DFT,mp-1096909
MMD-3628,CrN2,8,24,orthorhombic,C222_1 [20],0.14,0.494,MP,0,0,.,.,.,.,.,.,DFT,mp-1096910
MMD-3629,CrN2,44,132,monoclinic,C2/m [12],0.114,0.468,MP,0,0,.,.,.,.,.,.,DFT,mp-1096911
MMD-3630,CrN2,28,84,monoclinic,C2/m [12],0.117,0.471,MP,0,0,.,.,.,.,.,.,DFT,mp-1096912
MMD-3631,CrN2,4,12,orthorhombic,Pna2_1 [33],0.093,0.446,MP,0,0,.,.,.,.,.,.,DFT,mp-1096913
MMD-3632,CrN2,3,9,trigonal,P3_221 [154],0.132,0.486,MP,0,0,.,.,.,.,.,.,DFT,mp-1096914
MMD-3633,CrN2,8,24,monoclinic,P2_1/c [14],0.117,0.471,MP,0,0,.,.,.,.,.,.,DFT,mp-1096918
MMD-3634,CrN2,8,24,cubic,P2_13 [198],0.101,0.454,MP,0,0,.,.,.,.,.,.,DFT,mp-1096919
MMD-3635,CrN2,36,108,orthorhombic,Immm [71],0.115,0.469,MP,0,0,.,.,.,.,.,.,DFT,mp-1096922
MMD-3636,CrN2,72,216,orthorhombic,Fmmm [69],0.12,0.474,MP,0,0,.,.,.,.,.,.,DFT,mp-1096924
MMD-3637,CrN2,3,9,triclinic,P1 [1],0.131,0.485,MP,0,0,.,.,.,.,.,.,DFT,mp-1096928
MMD-3638,CrN2,48,144,orthorhombic,Imma [74],0.109,0.462,MP,0,0,.,.,.,.,.,.,DFT,mp-1096931
MMD-3639,CrN2,28,84,monoclinic,P2/m [10],0.112,0.466,MP,0,0,.,.,.,.,.,.,DFT,mp-1096934
MMD-3640,CrN2,12,36,monoclinic,C2/c [15],0.219,0.573,MP,0,0,.,.,.,.,.,.,DFT,mp-1096935
MMD-3641,CrN2,24,72,orthorhombic,P2_12_12_1 [19],0.095,0.448,MP,0,0,.,.,.,.,.,.,DFT,mp-1096957
MMD-3642,CrN2,64,192,orthorhombic,Imma [74],0.116,0.47,MP,0,0,.,.,.,.,.,.,DFT,mp-1096961
MMD-3643,CrN2,56,168,monoclinic,C2/m [12],0.112,0.466,MP,0,0,.,.,.,.,.,.,DFT,mp-1096966
MMD-3644,CrN2,64,192,orthorhombic,Cmcm [63],0.111,0.464,MP,0,0,.,.,.,.,.,.,DFT,mp-1096968
MMD-3645,CrN2,32,96,tetragonal,P4_2/mmc [131],0.121,0.475,MP,0.02,0.01,.,.,.,.,.,.,DFT,mp-1097032
MMD-3646,CrN2,36,108,orthorhombic,Pnnm [58],0.118,0.472,MP,0,0,.,.,.,.,.,.,DFT,mp-1097039
MMD-3647,CrN2,48,144,monoclinic,Cc [9],0.084,0.438,MP,0,0,.,.,.,.,.,.,DFT,mp-1097042
MMD-3648,CrN2,56,168,monoclinic,C2/m [12],0.106,0.46,MP,0,0,.,.,.,.,.,.,DFT,mp-1097059
MMD-3649,CrN2,8,24,orthorhombic,C222_1 [20],0.086,0.44,MP,0,0,.,.,.,.,.,.,DFT,mp-1097738
MMD-3650,CrN2,12,36,tetragonal,P4_12_12 [92],0.316,0.67,MP,0,0,.,.,.,.,.,.,DFT,mp-1097757
MMD-3651,CrN2,12,36,tetragonal,P4_12_12 [92],0.418,0.771,MP,0,0,.,.,.,.,.,.,DFT,mp-1097766
MMD-3652,Cr3N2,16,80,cubic,Ia-3 [206],-0.341,0.117,MP,0.32,0.38,.,.,.,.,.,.,DFT,mp-1097796
MMD-3653,Cr3N2,1,5,trigonal,P321 [150],0.383,0.842,MP,1.27,1.1,.,.,.,.,.,.,DFT,mp-1097803
MMD-3654,Cr5Se8,2,26,monoclinic,C2/m [12],-0.533,0 (stable),MP,1.08,0.61,.,.,.,.,.,.,DFT,mp-1104327
MMD-3655,CrSi2,3,9,hexagonal,P6_422 [181],-0.361,0.013,MP,0,0,.,.,.,.,.,.,DFT,mp-11191
MMD-3656,Cr3As,4,16,cubic,Fm-3m [225],0.141,0.234,MP,0.01,0,.,.,.,.,.,.,DFT,mp-1183682
MMD-3657,CrN,1,2,hexagonal,P-6m2 [187],-0.531,0 (stable),MP,0,0,.,.,.,.,.,.,DFT,mp-1183691
MMD-3658,Cr3As,2,8,tetragonal,I4/mmm [139],0.115,0.208,MP,0.23,0.21,.,.,.,.,.,.,DFT,mp-1183700
MMD-3659,Cr3Pt,2,8,hexagonal,P6_3/mmc [194],-0.018,0.069,MP,0,0,.,.,.,.,.,.,DFT,mp-1183705
MMD-3660,V3Cr,4,16,cubic,Fm-3m [225],-0.03,0 (stable),MP,0,0,.,.,.,.,.,.,DFT,mp-1187695
MMD-3661,VCr3,4,16,cubic,Fm-3m [225],-0.063,0 (stable),MP,0,0,.,.,.,.,.,.,DFT,mp-1187696
MMD-3662,Zn3Cr,1,4,cubic,Pm-3m [221],0.103,0.103,MP,0.18,0.15,.,.,.,.,.,.,DFT,mp-1187923
MMD-3663,Cr2Se3,4,20,trigonal,P-31c [163],-0.535,0.001,MP,1.2,0.68,.,.,.,.,.,.,DFT,mp-1189023
MMD-3664,Cr3C,4,16,orthorhombic,Pnma [62],-0.123,0.012,MP,0,0,.,.,.,.,.,.,DFT,mp-1189286
MMD-3665,NbCr2,8,24,hexagonal,P6_3/mmc [194],-0.039,0.007,MP,0,0,.,.,.,.,.,.,DFT,mp-1191777
MMD-3666,Cr7C3,8,80,hexagonal,P6_3mc [186],-0.157,0 (stable),MP,0,0,.,.,.,.,.,.,DFT,mp-1196316
MMD-3667,Cr2B3,4,20,orthorhombic,Cmcm [63],-0.44,0.026,MP,0,0,.,.,.,.,.,.,DFT,mp-12054
MMD-3668,CrPt,1,2,tetragonal,P4/mmm [123],-0.139,0.035,MP,0.43,0.37,.,.,.,.,.,.,DFT,mp-1206750
MMD-3669,Cr3As,2,8,cubic,Pm-3n [223],-0.072,0.021,MP,0,0,.,.,.,.,.,.,DFT,mp-1213747
MMD-3670,VCr,2,4,orthorhombic,Cmmm [65],-0.047,0 (stable),MP,0,0,.,.,.,.,.,.,DFT,mp-1216394
MMD-3671,Ti4Cr,4,20,orthorhombic,Fmmm [69],0.099,0.134,MP,0,0,.,.,.,.,.,.,DFT,mp-1217156
MMD-3672,NbCr2,16,48,tetragonal,I-4m2 [119],0.182,0.227,MP,0.16,0.13,.,.,.,.,.,.,DFT,mp-1220609
MMD-3673,CrSi2,3,9,hexagonal,P6_222 [180],-0.361,0.013,MP,0,0,.,.,.,.,.,.,DFT,mp-1222
MMD-3674,CrPt,3,6,trigonal,R-3m [166],0.036,0.21,MP,0.31,0.26,.,.,.,.,.,.,DFT,mp-1226164
MMD-3675,CrPt4,3,15,trigonal,R-3m [166],-0.076,0.134,MP,0.16,0.12,.,.,.,.,.,.,DFT,mp-1226207
MMD-3676,Cr2Se3,4,20,triclinic,P-1 [2],-0.532,0.004,MP,1.2,0.69,.,.,.,.,.,.,DFT,mp-1226371
MMD-3677,Cr2C,1,3,trigonal,P-3m1 [164],-0.107,0.056,MP,0,0,.,.,.,.,.,.,DFT,mp-1226378
MMD-3678,Cr2Se3,4,20,triclinic,P-1 [2],-0.529,0.006,MP,1.2,0.68,.,.,.,.,.,.,DFT,mp-1226456
MMD-3679,Cr3Ga,2,8,cubic,Pm-3n [223],-0.043,0 (stable),MP,0,0,.,.,.,.,.,.,DFT,mp-1231
MMD-3680,Cr5S6,2,22,trigonal,P-31c [163],-0.614,0.035,MP,1.39,1.01,.,.,.,.,.,.,DFT,mp-1311
MMD-3681,Cr2S3,4,20,trigonal,P-31c [163],-0.714,0 (stable),MP,1.2,0.79,.,.,.,.,.,.,DFT,mp-13685
MMD-3682,TiCr2,8,24,cubic,Fd-3m [227],-0.116,0 (stable),MP,0,0,.,.,.,.,.,.,DFT,mp-1425
MMD-3683,Cr5B3,4,32,tetragonal,I4/mcm [140],-0.432,0 (stable),MP,0,0,.,.,.,.,.,.,DFT,mp-15617
MMD-3684,CrAs2,4,12,monoclinic,C2/m [12],-0.116,0 (stable),MP,0,0,.,.,.,.,.,.,DFT,mp-15681
MMD-3685,Cr2B,4,12,tetragonal,I4/mcm [140],-0.387,0 (stable),MP,0,0,.,.,.,.,.,.,DFT,mp-15809
MMD-3686,TiCr2,4,12,hexagonal,P6_3/mmc [194],-0.098,0.017,MP,0,0,.,.,.,.,.,.,DFT,mp-1589
MMD-3687,AlCr2,2,6,tetragonal,I4/mmm [139],-0.13,0 (stable),MP,0,0,.,.,.,.,.,.,DFT,mp-1699
MMD-3688,Cr3Ga4,6,42,monoclinic,C2/m [12],-0.016,0.085,MP,0,0,.,.,.,.,.,.,DFT,mp-18654
MMD-3689,ZrCr2,4,12,hexagonal,P6_3/mmc [194],-0.034,0.017,MP,0,0,.,.,.,.,.,.,DFT,mp-1919
MMD-3690,Cr7C3,4,40,orthorhombic,Pnma [62],-0.157,0 (stable),MP,0,0,.,.,.,.,.,.,DFT,mp-19855
MMD-3691,Al8Cr5,6,78,trigonal,R3m [160],-0.058,0.081,MP,0.26,0.21,.,.,.,.,.,.,DFT,mp-19954
MMD-3692,Cr2As,2,6,tetragonal,P4/nmm [129],-0.043,0.081,MP,0.21,0.18,.,.,.,.,.,.,DFT,mp-20552
MMD-3693,Cr3Ge,2,8,cubic,Pm-3n [223],-0.121,0 (stable),MP,0,0,.,.,.,.,.,.,DFT,mp-20685
MMD-3694,CrAs,4,8,orthorhombic,Pnma [62],-0.185,0 (stable),MP,1.21,0.89,.,.,.,.,.,.,DFT,mp-20717
MMD-3695,CrGe,4,8,cubic,P2_13 [198],0.012,0.093,MP,0.47,0.4,.,.,.,.,.,.,DFT,mp-20861
MMD-3696,Cr3C2,4,20,orthorhombic,Pnma [62],-0.174,0 (stable),MP,0,0,.,.,.,.,.,.,DFT,mp-20937
MMD-3697,CrP,4,8,orthorhombic,Pnma [62],-0.552,0 (stable),MP,0,0,.,.,.,.,.,.,DFT,mp-21048
MMD-3698,CrN,4,8,cubic,Fm-3m [225],-0.366,0.164,MP,1.24,1.61,.,.,.,.,.,.,DFT,mp-2132
MMD-3699,CrSe,2,4,hexagonal,P6_3/mmc [194],-0.301,0.145,MP,1.94,1.17,.,.,.,.,.,.,DFT,mp-2189
MMD-3700,Cr2As,3,9,hexagonal,P-62m [189],0.091,0.214,MP,1.22,0.99,.,.,.,.,.,.,DFT,mp-22064
MMD-3701,CrPt3,1,4,cubic,Pm-3m [221],-0.262,0 (stable),MP,0.67,0.51,.,.,.,.,.,.,DFT,mp-2515
MMD-3702,CrB,4,8,orthorhombic,Cmcm [63],-0.533,0.009,MP,0,0,.,.,.,.,.,.,DFT,mp-260
MMD-3703,CrB4,2,10,orthorhombic,Immm [71],-0.311,0.005,MP,0,0,.,.,.,.,.,.,DFT,mp-27710
MMD-3704,Cr3Se4,2,14,monoclinic,C2/m [12],-0.504,0.006,MP,1.43,0.83,.,.,.,.,.,.,DFT,mp-27840
MMD-3705,Cr2Se3,6,30,trigonal,R-3 [148],-0.536,0 (stable),MP,1.2,0.68,.,.,.,.,.,.,DFT,mp-2832
MMD-3706,Cr4As3,4,28,monoclinic,C2/m [12],-0.105,0.054,MP,0.95,0.74,.,.,.,.,.,.,DFT,mp-28704
MMD-3707,CrS2,2,6,monoclinic,C2/m [12],-0.553,0.042,MP,0.68,0.23,.,.,.,.,.,.,DFT,mp-28910
MMD-3708,Cr2P,12,36,orthorhombic,Imm2 [44],-0.405,0.015,MP,0.19,0.19,.,.,.,.,.,.,DFT,mp-29184
MMD-3709,Al45Cr7,2,104,monoclinic,C2/m [12],-0.117,0 (stable),MP,0,0,.,.,.,.,.,.,DFT,mp-31019
MMD-3710,CrB2,1,3,hexagonal,P6/mmm [191],-0.35,0.066,MP,0.36,0.55,.,.,.,.,.,.,DFT,mp-374
MMD-3711,Cr3Pt,2,8,cubic,Pm-3n [223],-0.026,0.061,MP,0,0,.,.,.,.,.,.,DFT,mp-446
MMD-3712,Cr12P7,1,19,hexagonal,P-6 [174],-0.417,0.031,MP,0.2,0.2,.,.,.,.,.,.,DFT,mp-505626
MMD-3713,CrS,2,4,hexagonal,P6_3/mmc [194],-0.473,0.122,MP,1.45,1.17,.,.,.,.,.,.,DFT,mp-523
MMD-3714,NbCr2,8,24,cubic,Fd-3m [227],-0.046,0 (stable),MP,0,0,.,.,.,.,.,.,DFT,mp-548
MMD-3715,Cr2S3,6,30,trigonal,R-3 [148],-0.696,0.018,MP,1,0.69,.,.,.,.,.,.,DFT,mp-555569
MMD-3716,Cr5Ge3,4,32,tetragonal,I4/mcm [140],0.014,0.114,MP,0.01,0.01,.,.,.,.,.,.,DFT,mp-568324
MMD-3717,CrAs,2,4,hexagonal,P6_3/mmc [194],-0.174,0.011,MP,1.22,0.88,.,.,.,.,.,.,DFT,mp-568565
MMD-3718,TiCr2,8,24,hexagonal,P6_3/mmc [194],-0.109,0.007,MP,0,0,.,.,.,.,.,.,DFT,mp-568636
MMD-3719,Cr3C2,4,20,orthorhombic,Cmcm [63],-0.147,0.027,MP,0,0,.,.,.,.,.,.,DFT,mp-570112
MMD-3720,ZrCr2,8,24,hexagonal,P6_3/mmc [194],-0.043,0.008,MP,0,0,.,.,.,.,.,.,DFT,mp-570608
MMD-3721,CrC,4,8,cubic,Fm-3m [225],0.082,0.227,MP,0.62,0.84,.,.,.,.,.,.,DFT,mp-579
MMD-3722,CrSe,2,4,tetragonal,P4/nmm [129],-0.31,0.136,MP,0.19,0.11,.,.,.,.,.,.,DFT,mp-604915
MMD-3723,Cr23C6,4,116,cubic,Fm-3m [225],-0.116,0 (stable),MP,0,0,.,.,.,.,.,.,DFT,mp-723
MMD-3724,Cr3Si,2,8,cubic,Pm-3n [223],-0.352,0 (stable),MP,0,0,.,.,.,.,.,.,DFT,mp-729
MMD-3725,CrP2,4,12,monoclinic,C2/m [12],-0.438,0 (stable),MP,0,0,.,.,.,.,.,.,DFT,mp-7291
MMD-3726,CrP4,4,20,monoclinic,C2/c [15],-0.29,0 (stable),MP,0,0,.,.,.,.,.,.,DFT,mp-7302
MMD-3727,Cr5Si3,4,32,tetragonal,I4/mcm [140],-0.315,0.043,MP,0,0,.,.,.,.,.,.,DFT,mp-7506
MMD-3728,CrS2,1,3,trigonal,P-3m1 [164],-0.56,0.035,MP,0.68,0.41,.,.,.,.,.,.,DFT,mp-755263
MMD-3729,CrSi,4,8,cubic,P2_13 [198],-0.297,0.068,MP,0.18,0.17,.,.,.,.,.,.,DFT,mp-7576
MMD-3730,Cr3P,8,32,tetragonal,I-4 [82],-0.354,0 (stable),MP,0,0,.,.,.,.,.,.,DFT,mp-7806
MMD-3731,Cr3S4,2,14,monoclinic,P2_1/m [11],-0.663,0.017,MP,1.28,0.92,.,.,.,.,.,.,DFT,mp-849071
MMD-3732,Cr2S3,6,30,trigonal,R3 [146],-0.682,0.031,MP,1.02,0.71,.,.,.,.,.,.,DFT,mp-849081
MMD-3733,Cr2S3,4,20,trigonal,P3 [143],-0.689,0.025,MP,1,0.7,.,.,.,.,.,.,DFT,mp-849083
MMD-3734,Cr5S8,4,52,monoclinic,C2/m [12],-0.675,0.011,MP,1.07,0.74,.,.,.,.,.,.,DFT,mp-849084
MMD-3735,Al3Cr,2,8,tetragonal,I4/mmm [139],-0.143,0 (stable),MP,0.28,0.22,.,.,.,.,.,.,DFT,mp-867780
MMD-3736,Cr2N,3,9,trigonal,P-31m [162],-0.41,0 (stable),MP,0,0,.,.,.,.,.,.,DFT,mp-8780
MMD-3737,Cr3B4,2,14,orthorhombic,Immm [71],-0.471,0.017,MP,0,0,.,.,.,.,.,.,DFT,mp-889
MMD-3738,CrSi2,2,6,tetragonal,I4/mmm [139],-0.374,0 (stable),MP,0,0,.,.,.,.,.,.,DFT,mp-8937
MMD-3739,ZrCr2,8,24,cubic,Fd-3m [227],-0.051,0 (stable),MP,0,0,.,.,.,.,.,.,DFT,mp-903
MMD-3740,Cr3S4,2,14,monoclinic,C2/m [12],-0.678,0.002,MP,1.34,0.93,.,.,.,.,.,.,DFT,mp-964
MMD-3741,ZnCr3,4,16,cubic,Fm-3m [225],0.226,0.226,MP,0.85,0.75,.,.,.,.,.,.,DFT,mp-971752
MMD-3742,Cr3Cu,1,4,cubic,Pm-3m [221],0.278,0.278,MP,0,0,.,.,.,.,.,.,DFT,mp-984711
MMD-3743,Cr3Se,2,8,tetragonal,I4/mmm [139],0.324,0.547,MP,0.23,0.22,.,.,.,.,.,.,DFT,mp-984712
MMD-3744,NbCr3,4,16,cubic,Fm-3m [225],0.073,0.107,MP,0,0,.,.,.,.,.,.,DFT,mp-999390
MMD-3745,NbCr3,2,8,tetragonal,I4/mmm [139],0.332,0.366,MP,0,0,.,.,.,.,.,.,DFT,mp-999392
MMD-3746,NbCr3,1,4,cubic,Pm-3m [221],0.488,0.522,MP,0.45,0.38,.,.,.,.,.,.,DFT,mp-999393
MMD-3747,Nb3Cr,4,16,cubic,Fm-3m [225],0.085,0.102,MP,0,0,.,.,.,.,.,.,DFT,mp-999439
MMD-3748,Nb3Cr,2,8,tetragonal,I4/mmm [139],0.261,0.279,MP,0,0,.,.,.,.,.,.,DFT,mp-999441
MMD-3749,Nb3Cr,1,4,cubic,Pm-3m [221],0.384,0.401,MP,0.68,0.45,.,.,.,.,.,.,DFT,mp-999446
MMD-3750,Cr2S5,2,14,orthorhombic,Pmmn [59],-0.236,0.274,MP,0,0,.,.,.,.,.,.,DFT,mvc-11309
MMD-3751,CrSe2,16,48,cubic,F-43m [216],-0.444,0.023,MP,0.74,0.4,.,.,.,.,.,.,DFT,mvc-11653
MMD-3752,CrSe2,16,48,cubic,Fd-3m [227],-0.442,0.025,MP,0.74,0.41,.,.,.,.,.,.,DFT,mvc-13180
MMD-3753,CrN2,4,12,monoclinic,C2/m [12],0.303,0.657,MP,0,0,.,.,.,.,.,.,DFT,mvc-13461
MMD-3754,CrS2,3,9,trigonal,R-3m [166],-0.508,0.087,MP,0.01,0,.,.,.,.,.,.,DFT,mvc-13555
MMD-3755,CrS2,16,48,cubic,Fd-3m [227],-0.541,0.054,MP,0.68,0.43,.,.,.,.,.,.,DFT,mvc-14769
MMD-3756,CrS2,12,36,trigonal,R-3m [166],-0.532,0.063,MP,0.68,0.45,.,.,.,.,.,.,DFT,mvc-15
MMD-3757,CrS2,4,12,tetragonal,I-42d [122],-0.375,0.22,MP,0.67,0.32,.,.,.,.,.,.,DFT,mvc-7055
MMD-3758,VCo,1,2,cubic,Pm-3m [221],-0.087,0.105,MP,0.94,0.92,.,.,.,.,.,.,DFT,mp-1002109
MMD-3759,CrNi3,2,8,tetragonal,I4/mmm [139],-0.02,0.003,MP,0.34,0.36,.,.,.,.,.,.,DFT,mp-1007923
MMD-3760,CrNi3,1,4,cubic,Pm-3m [221],-0.01,0.013,MP,0.55,0.57,.,.,.,.,.,.,DFT,mp-1007974
MMD-3761,CrNi3,4,16,cubic,Fm-3m [225],0.108,0.131,MP,0.5,0.52,.,.,.,.,.,.,DFT,mp-1007975
MMD-3762,Cr3Ni,4,16,cubic,Fm-3m [225],0.157,0.168,MP,0.88,0.85,.,.,.,.,.,.,DFT,mp-1008275
MMD-3763,Cr3Ni,1,4,cubic,Pm-3m [221],0.132,0.143,MP,0,0,.,.,.,.,.,.,DFT,mp-1008278
MMD-3764,CrCo3,1,4,cubic,Pm-3m [221],0.045,0.054,MP,0,0,.,.,.,.,.,.,DFT,mp-1008280
MMD-3765,Cr3Ni,2,8,tetragonal,I4/mmm [139],0.165,0.176,MP,0.16,0.17,.,.,.,.,.,.,DFT,mp-1008284
MMD-3766,CrCo,1,2,cubic,Pm-3m [221],0.143,0.149,MP,1.47,1.49,.,.,.,.,.,.,DFT,mp-1010071
MMD-3767,VCo3,1,4,cubic,Pm-3m [221],-0.177,0.005,MP,0,0,.,.,.,.,.,.,DFT,mp-1017529
MMD-3768,Cr3Co,2,8,hexagonal,P6_3/mmc [194],0.231,0.234,MP,0.01,0.01,.,.,.,.,.,.,DFT,mp-1025503
MMD-3769,CrNi2,8,24,cubic,Fd-3m [227],0.187,0.216,MP,1.33,1.27,.,.,.,.,.,.,DFT,mp-1077077
MMD-3770,Cr2Ni,8,24,cubic,Fd-3m [227],0.255,0.27,MP,0,0,.,.,.,.,.,.,DFT,mp-1077252
MMD-3771,Cr2Co,8,24,cubic,Fd-3m [227],0.276,0.281,MP,0.2,0.2,.,.,.,.,.,.,DFT,mp-1077706
MMD-3772,CrCo3,2,8,hexagonal,P6_3/mmc [194],-0.01,0 (stable),MP,0.24,0.26,.,.,.,.,.,.,DFT,mp-1087479
MMD-3773,VCo3,2,8,hexagonal,P6_3/mmc [194],-0.175,0.007,MP,0,0,.,.,.,.,.,.,DFT,mp-1095057
MMD-3774,VNi2,2,6,orthorhombic,Immm [71],-0.246,0 (stable),MP,0,0,.,.,.,.,.,.,DFT,mp-11531
MMD-3775,VNi,3,6,trigonal,R-3m [166],-0.017,0.196,MP,0,0,.,.,.,.,.,.,DFT,mp-1216313
MMD-3776,VNi3,1,4,tetragonal,P4/mmm [123],-0.098,0.148,MP,0.1,0.1,.,.,.,.,.,.,DFT,mp-1216314
MMD-3777,VNi3,3,12,trigonal,R-3m [166],-0.024,0.222,MP,0.07,0.07,.,.,.,.,.,.,DFT,mp-1216317
MMD-3778,VCo4,3,15,trigonal,R-3m [166],0.045,0.19,MP,1.06,1.1,.,.,.,.,.,.,DFT,mp-1216400
MMD-3779,VCo3,3,12,trigonal,R-3m [166],0.049,0.231,MP,0.91,0.93,.,.,.,.,.,.,DFT,mp-1216405
MMD-3780,V3Ni2,6,30,monoclinic,P2/m [10],-0.194,0 (stable),MP,0,0,.,.,.,.,.,.,DFT,mp-1216708
MMD-3781,MnV,2,4,orthorhombic,Cmmm [65],-0.133,0.146,MP,0,0,.,.,.,.,.,.,DFT,mp-1221550
MMD-3782,MnCr,2,4,orthorhombic,Cmmm [65],0.062,0.062,MP,0.42,0.43,.,.,.,.,.,.,DFT,mp-1221647
MMD-3783,CrNi,1,2,cubic,Pm-3m [221],0.248,0.27,MP,1.48,1.42,.,.,.,.,.,.,DFT,mp-1226196
MMD-3784,CrCo3,1,4,hexagonal,P-6m2 [187],0.074,0.084,MP,0.69,0.74,.,.,.,.,.,.,DFT,mp-1226209
MMD-3785,CrNi,3,6,trigonal,R-3m [166],0.138,0.16,MP,0,0,.,.,.,.,.,.,DFT,mp-1226232
MMD-3786,Cr4Ni,4,20,orthorhombic,Fmmm [69],0.039,0.048,MP,0,0,.,.,.,.,.,.,DFT,mp-1226243
MMD-3787,CrNi3,3,12,trigonal,R-3m [166],0.05,0.073,MP,0.21,0.23,.,.,.,.,.,.,DFT,mp-1226338
MMD-3788,Cr3Co2,12,60,orthorhombic,Cmm2 [35],0.053,0.059,MP,0.26,0.27,.,.,.,.,.,.,DFT,mp-1226444
MMD-3789,V3Co,2,8,cubic,Pm-3n [223],-0.201,0 (stable),MP,0,0,.,.,.,.,.,.,DFT,mp-1585
MMD-3790,VNi3,2,8,tetragonal,I4/mmm [139],-0.246,0 (stable),MP,0,0,.,.,.,.,.,.,DFT,mp-171
MMD-3791,MnV,1,2,cubic,Pm-3m [221],-0.279,0 (stable),MP,0,0,.,.,.,.,.,.,DFT,mp-316
MMD-3792,VCo3,6,24,hexagonal,P6_3/mmc [194],-0.181,0 (stable),MP,0,0,.,.,.,.,.,.,DFT,mp-542614
MMD-3793,V3Ni,2,8,cubic,Pm-3n [223],-0.164,0 (stable),MP,0,0,.,.,.,.,.,.,DFT,mp-7226
MMD-3794,CrNi2,2,6,orthorhombic,Immm [71],-0.03,0 (stable),MP,0,0,.,.,.,.,.,.,DFT,mp-784631
MMD-3795,MnV3,4,16,cubic,Fm-3m [225],-0.144,0 (stable),MP,0,0,.,.,.,.,.,.,DFT,mp-864984
MMD-3796,MnAlPt,2,6,hexagonal,P6_3/mmc [194],-0.639,.,MP,1.2,0.94,.,.,.,.,.,.,DFT,mp-10892
MMD-3797,MnAlPt2,4,16,cubic,Fm-3m [225],-0.7,.,MP,1.06,0.83,.,.,.,.,.,.,DFT,mp-10893
MMD-3798,MnCuPt2,4,16,cubic,Fm-3m [225],-0.259,.,MP,1.05,0.89,.,.,.,.,.,.,DFT,mp-1185992
MMD-3799,MnV2Fe,4,16,cubic,Fm-3m [225],-0.199,.,MP,0.14,0.14,.,.,.,.,.,.,DFT,mp-1186011
MMD-3800,MnZnPt2,4,16,cubic,Fm-3m [225],-0.45,.,MP,1.08,0.85,.,.,.,.,.,.,DFT,mp-1186015
MMD-3801,Sc2CoPt,4,16,cubic,Fm-3m [225],-0.807,.,MP,0.2,0.14,.,.,.,.,.,.,DFT,mp-1186939
MMD-3802,MnCuPt6,4,32,cubic,Fm-3m [225],-0.213,.,MP,0.5,0.39,.,.,.,.,.,.,DFT,mp-1206110
MMD-3803,V6CoNi,1,8,cubic,Pm-3 [200],-0.181,.,MP,0,0,.,.,.,.,.,.,DFT,mp-1216439
MMD-3804,V6FeNi,1,8,cubic,Pm-3 [200],-0.175,.,MP,0,0,.,.,.,.,.,.,DFT,mp-1216443
MMD-3805,Ni4GePt5,1,10,tetragonal,P4/mmm [123],-0.075,.,MP,0.37,0.32,.,.,.,.,.,.,DFT,mp-1220122
MMD-3806,Nb4CoPt3,1,8,orthorhombic,Pmm2 [25],-0.476,.,MP,0.07,0.05,.,.,.,.,.,.,DFT,mp-1220433
MMD-3807,Mn12Pt4N,1,17,monoclinic,P2/m [10],-0.126,.,MP,0.45,0.43,.,.,.,.,.,.,DFT,mp-1222181
MMD-3808,GaNi2Pt,1,4,tetragonal,P4/mmm [123],-0.366,0 (stable),MP,0.17,0.16,.,.,.,.,.,.,DFT,mp-1224791
MMD-3809,FeCuPt2,1,4,tetragonal,P4/mmm [123],-0.185,.,MP,0.85,0.74,.,.,.,.,.,.,DFT,mp-1224981
MMD-3810,CrCoPt2,3,12,trigonal,R3m [160],0.028,.,MP,0.28,0.24,.,.,.,.,.,.,DFT,mp-1226287
MMD-3811,Al4Ni3Pt,1,8,tetragonal,P4/mmm [123],-0.722,.,MP,0,0,.,.,.,.,.,.,DFT,mp-1228186
MMD-3812,Al2NiPt,1,4,tetragonal,P4/mmm [123],-0.801,.,MP,0,0,.,.,.,.,.,.,DFT,mp-1228426
MMD-3813,Al3Ni2Pt,1,6,tetragonal,P4/mmm [123],-0.745,.,MP,0,0,.,.,.,.,.,.,DFT,mp-1228921
MMD-3814,Al(Ni4Pt)3,1,16,tetragonal,P4/mmm [123],-0.148,.,MP,0.47,0.46,.,.,.,.,.,.,DFT,mp-1229119
MMD-3815,MnPtN2,4,16,orthorhombic,Pna2_1 [33],0.246,.,MP,0.23,0.24,.,.,.,.,.,.,DFT,mp-1245489
MMD-3816,CoPtN2,2,8,hexagonal,P6_3/mmc [194],0.392,.,MP,0,0,.,.,.,.,.,.,DFT,mp-1245931
MMD-3817,MnGaPt,4,12,cubic,F-43m [216],-0.171,.,MP,1.12,0.78,.,.,.,.,.,.,DFT,mp-20269
MMD-3818,NiGePt2,8,32,orthorhombic,Fmmm [69],-0.333,0 (stable),MP,0,0,.,.,.,.,.,.,DFT,mp-29752
MMD-3819,FeCuPt2,1,4,tetragonal,P4/mmm [123],-0.189,.,MP,1.01,0.83,.,.,.,.,.,.,DFT,mp-3702
MMD-3820,MnGaPt,2,6,hexagonal,P6_3/mmc [194],-0.443,0 (stable),MP,1.26,0.97,.,.,.,.,.,.,DFT,mp-569151
MMD-3821,CrCoPt2,1,4,tetragonal,P4/mmm [123],-0.138,.,MP,0.81,0.69,.,.,.,.,.,.,DFT,mp-570863
MMD-3822,Fe3PtN,1,5,cubic,Pm-3m [221],-0.186,0 (stable),MP,1.63,1.65,.,.,.,.,.,.,DFT,mp-579496
MMD-3823,MnVNi,4,12,cubic,F-43m [216],0.586,.,MP,0.46,0.39,.,.,.,.,.,.,DFT,mp-631555
MMD-3824,Mn3PtN,1,5,cubic,Pm-3m [221],-0.299,.,MP,1.93,1.83,.,.,.,.,.,.,DFT,mp-7070
MMD-3825,MnGaPt2,4,16,cubic,Fm-3m [225],-0.48,.,MP,1.05,0.81,.,.,.,.,.,.,DFT,mp-864948
MMD-3826,Mn2CrCo,4,16,cubic,Fm-3m [225],-0.039,0 (stable),MP,1.21,1.19,.,.,.,.,.,.,DFT,mp-864955