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-1652 | Ni3S | 2 | 8 | hexagonal | P6_3/mmc [194] | 0.152 | 0.378 | MP | 0.36 | 0.37 | c | 0.58 | . | . | . | . | DFT | mp-976881 |
MMD-1651 | Ni3S | 2 | 8 | tetragonal | I4/mmm [139] | 0.161 | 0.387 | MP | 0.26 | 0.27 | ab plane | -0.49 | . | . | . | . | DFT | mp-976809 |