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-2590 | Mn4Co11Ge5 | 3 | 60 | trigonal | R-3m [166] | -0.197 | . | MP | 1.20 | 1.19 | . | . | . | . | . | . | DFT | mp-1222148 |
MMD-2589 | Mn3(Co2Ge3)2 | 2 | 26 | orthorhombic | Cmm2 [35] | -0.130 | . | MP | 0.68 | 0.59 | c | 0.42 | 0.32 | -0.10 | . | . | DFT | mp-1222126 |
MMD-2734 | MnCo2Ge | 4 | 16 | cubic | Fm-3m [225] | -0.234 | 0 (stable) | MP | 1.25 | 1.23 | a | . | . | . | 0.00 | . | DFT | mp-19850 |
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-2750 | Mn2CoGe | 4 | 16 | cubic | F-43m [216] | -0.136 | . | MP | 0.75 | 0.74 | a | . | . | . | 0.00 | . | DFT | mp-22289 |
MMD-2742 | MnCoGe | 2 | 6 | hexagonal | P6_3/mmc [194] | -0.165 | . | MP | 1.04 | 0.97 | c | 0.43 | . | . | . | . | DFT | mp-20565 |
MMD-2755 | Mn2Co3Ge | 2 | 12 | hexagonal | P6_3/mmc [194] | -0.024 | . | MP | 1.86 | 1.71 | c | 0.30 | . | . | . | . | DFT | mp-22702 |