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-119 | Co4N | 2 | 10 | orthorhombic | P2_12_12 [18] | 0.078 | 0.078 | AGA search | 0.96 | 1.12 | b | -0.10 | -0.28 | -0.18 | . | . | DFT | DOI link |
MMD-252 | Co4N | 2 | 10 | orthorhombic | P2_12_12 [18] | 0.113 | 0.113 | AGA search | 0.83 | 1.04 | a | -0.81 | -0.29 | 0.52 | . | . | DFT | MS |
MMD-150 | Co8N | 2 | 18 | orthorhombic | P2_12_12 [18] | 0.044 | 0.044 | AGA search | 1.22 | 1.38 | a | -0.19 | -0.06 | 0.14 | . | . | DFT | DOI link |
MMD-258 | Co4N | 2 | 10 | orthorhombic | P2_12_12 [18] | 0.079 | 0.079 | AGA search | 0.97 | 1.13 | a | -0.21 | -0.06 | 0.15 | . | . | DFT | MS |
MMD-251 | Co4N | 2 | 10 | orthorhombic | P2_12_12 [18] | 0.115 | 0.115 | AGA search | 0.82 | 1.04 | a | -0.82 | -0.29 | 0.53 | . | . | DFT | MS |
MMD-1260 | Fe2N | 6 | 18 | orthorhombic | P2_12_12 [18] | -0.031 | 0.058 | MP | 0.97 | 1.20 | c | 1.26 | 0.10 | -1.16 | . | . | DFT | mp-684744 |