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-62 | FeCo6N | 4 | 32 | orthorhombic | Cmmm [65] | 0.021 | 0.055 | AGA search | 1.48 | 1.63 | c | 0.51 | -0.02 | -0.53 | . | . | DFT | DOI link |
MMD-61 | FeCo6N | 4 | 32 | orthorhombic | Amm2 [38] | 0.019 | 0.052 | AGA search | 1.49 | 1.65 | c | 0.18 | 0.23 | 0.05 | . | . | DFT | DOI link |
MMD-468 | FeCo6N | 4 | 32 | orthorhombic | Amm2 [38] | 0.019 | 0.052 | AGA search | 1.49 | 1.65 | . | . | . | . | . | . | DFT | MS |
MMD-469 | FeCo6N | 4 | 32 | orthorhombic | Cmmm [65] | 0.021 | 0.055 | AGA search | 1.48 | 1.63 | c | 0.51 | -0.02 | -0.53 | . | . | DFT | MS |