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-2811 | Mn(GaS2)2 | 3 | 21 | trigonal | R3m [160] | -0.364 | . | MP | 0.01 | 0.01 | . | . | . | . | . | . | DFT | mp-1078110 |
MMD-2915 | Mn(GaS2)2 | 1 | 7 | monoclinic | Pm [6] | -0.600 | . | MP | 0.71 | 0.37 | . | . | . | . | . | . | DFT | mp-1221975 |
MMD-3011 | Mn(GaS2)2 | 2 | 14 | tetragonal | I-4 [82] | -0.655 | 0 (stable) | MP | 0.71 | 0.37 | . | . | . | . | . | . | DFT | mp-20025 |
MMD-3048 | Mn(GaS2)2 | 6 | 42 | monoclinic | C2/c [15] | -0.624 | . | MP | 0.71 | 0.39 | . | . | . | . | . | . | DFT | mp-622375 |
MMD-3051 | Mn(GaS2)2 | 12 | 84 | monoclinic | C2/c [15] | -0.621 | . | MP | 0.71 | 0.39 | . | . | . | . | . | . | DFT | mp-662815 |