Materials ID
stringlengths 5
8
| Formula
stringlengths 1
14
| l
int64 1
72
| Atomic sites per cell
int64 1
252
| Crystal system
stringclasses 7
values | Space group [Number]
stringclasses 139
values | Formation energy (eV/atom)
float64 -1.82
2.07
| Energy relative to convex hull (eV/atom)
stringclasses 394
values | Structure search
stringclasses 18
values | Averaged magnetic moment (μB/atom)
float64 0
2.72
| Magnetic polarization, Js (T)
float64 0
2.5
| Magnetic easy axis
stringclasses 6
values | Magnetic anisotropy constants: Ka-c, Kb-c, Kb-a, Kd-a (MJ/m3)
stringclasses 386
values | Magnetic anisotropy constants: Ka-c, Kb-c, Kb-a, Kd-a (MJ/m3).1
stringclasses 242
values | Magnetic anisotropy constants: Ka-c, Kb-c, Kb-a, Kd-a (MJ/m3).2
stringclasses 208
values | Magnetic anisotropy constants: Ka-c, Kb-c, Kb-a, Kd-a (MJ/m3).3
stringclasses 26
values | Curie temperature, TC (K)
stringclasses 4
values | Methods
stringclasses 1
value | References
stringlengths 2
11
|
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
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 |