Crystallographic data | Sstructural stability [Footnotes] | Magnetic properties [Footnotes, magnetic units] | Methods | References | ||||||||||||||
---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
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-2895 | MnAl24Cr | 2 | 52 | monoclinic | C2/m [12] | -0.077 | 0 (stable) | MP | 0.00 | 0.00 | . | . | . | . | . | . | DFT | mp-1221714 |
MMD-2889 | MnAl2Cr3 | 1 | 6 | tetragonal | P4mm [99] | -0.167 | 0 (stable) | MP | 0.00 | 0.00 | . | . | . | . | . | . | DFT | mp-1221662 |
MMD-3060 | Mn2AlCr | 4 | 16 | cubic | Fm-3m [225] | -0.155 | 0 (stable) | MP | 0.26 | 0.26 | . | . | . | . | . | . | DFT | mp-864988 |