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-48 | FeCo5N | 2 | 14 | tetragonal | P4mm [99] | 0.015 | 0.053 | AGA search | 1.49 | 1.64 | c | 0.53 | . | . | . | . | DFT | DOI link |
MMD-50 | FeCo5N | 2 | 14 | tetragonal | P4mm [99] | 0.024 | 0.062 | AGA search | 1.46 | 1.61 | ab plane | -0.43 | . | . | . | . | DFT | DOI link |
MMD-49 | FeCo5N | 2 | 14 | tetragonal | P4/mmm [123] | 0.022 | 0.060 | AGA search | 1.47 | 1.63 | ab plane | -0.01 | . | . | . | . | DFT | DOI link |
MMD-362 | FeCo5N | 2 | 14 | tetragonal | P4mm [99] | 0.015 | 0.053 | AGA search | 1.49 | 1.64 | c | 0.49 | . | . | . | . | DFT | MS |
MMD-451 | FeCo5N | 2 | 14 | tetragonal | P4mm [99] | 0.015 | 0.053 | AGA search | 1.49 | 1.65 | c | 0.60 | . | . | . | . | DFT | MS |