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-3033 | Mn4Nb7Ge8 | 4 | 76 | orthorhombic | Pnma [62] | -0.318 | . | MP | 0.49 | 0.36 | . | . | . | . | . | . | DFT | mp-29906 |
MMD-3032 | Mn9(NbGe4)2 | 4 | 76 | orthorhombic | Pnma [62] | -0.176 | 0 (stable) | MP | 1.12 | 0.92 | . | . | . | . | . | . | DFT | mp-29905 |
MMD-3044 | Mn2Nb9Ge8 | 4 | 76 | orthorhombic | Pnma [62] | -0.368 | . | MP | 0.24 | 0.17 | . | . | . | . | . | . | DFT | mp-567194 |
MMD-3073 | MnNbGe | 3 | 9 | hexagonal | P-62m [189] | -0.319 | 0 (stable) | MP | 0.46 | 0.36 | . | . | . | . | . | . | DFT | mp-9951 |