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-2903 | Mn8Nb3Si | 1 | 12 | trigonal | P3m1 [156] | -0.161 | . | MP | 0.14 | 0.13 | . | . | . | . | . | . | DFT | mp-1221787 |
MMD-3005 | Mn4Nb2Si5 | 4 | 44 | orthorhombic | Ibam [72] | -0.228 | . | MP | 0.87 | 0.71 | . | . | . | . | . | . | DFT | mp-17893 |
MMD-3055 | MnNbSi | 3 | 9 | hexagonal | P-62m [189] | -0.561 | 0 (stable) | MP | 0.25 | 0.21 | . | . | . | . | . | . | DFT | mp-7829 |