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-26 | Fe2Co2N | 1 | 5 | tetragonal | P4/mmm [123] | -0.040 | 0.041 | AGA search | 1.60 | 1.78 | ab plane | -0.31 | . | . | . | . | DFT | DOI link |
MMD-27 | Fe2Co2N | 4 | 20 | orthorhombic | Imm2 [44] | -0.019 | 0.062 | AGA search | 1.58 | 1.77 | c | 0.92 | 0.85 | -0.07 | . | . | DFT | DOI link |
MMD-414 | Fe2Co2N | 2 | 10 | tetragonal | P4_2/mmc [131] | -0.037 | 0.044 | AGA search | 1.60 | 1.77 | c | 0.13 | . | . | . | . | DFT | MS |
MMD-351 | Fe2Co2N | 1 | 5 | tetragonal | P4/mmm [123] | -0.040 | 0.041 | AGA search | 1.60 | 1.78 | ab plane | -0.31 | . | . | . | . | DFT | MS |
MMD-352 | Fe2Co2N | 2 | 10 | tetragonal | P4_2/mmc [131] | -0.037 | 0.044 | AGA search | 1.60 | 1.77 | c | 0.13 | . | . | . | . | DFT | MS |