Crystallographic data | Sstructural stability [Footnotes] | Magnetic properties [Footnotes, magnetic units] | Methods | References | ||||||||||||||
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Materials ID | Formula | Formula units per cell | 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) |
Curie temperature, TC (K) | Methods | References | |||
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-1338 | Ti2Co | 32 | 96 | cubic | Fd-3m [227] | -0.286 | 0 (stable) | MP | 0.00 | 0.00 | . | . | . | . | . | . | 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-1412 | Ti2Co | 8 | 24 | cubic | Fd-3m [227] | 0.443 | 0.730 | MP | 0.37 | 0.29 | . | . | . | . | . | . | DFT | mp-30566 |
MMD-1427 | TiCo3 | 1 | 4 | cubic | Pm-3m [221] | -0.256 | 0 (stable) | MP | 0.67 | 0.67 | <111> | . | . | . | -0.00 | . | DFT | mp-608 |
MMD-1435 | TiCo2 | 8 | 24 | cubic | Fd-3m [227] | -0.314 | 0.003 | MP | 0.27 | 0.26 | . | . | . | . | . | . | DFT | mp-695 |
MMD-1439 | TiCo | 1 | 2 | cubic | Pm-3m [221] | -0.394 | 0 (stable) | MP | 0.43 | 0.38 | <111> | . | . | . | -0.00 | . | DFT | mp-823 |