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-85 | Fe3Co5N | 1 | 9 | orthorhombic | Pmmm [47] | -0.012 | 0.048 | AGA search | 1.56 | 1.70 | c | 0.01 | -1.12 | -1.13 | . | . | DFT | DOI link |
MMD-84 | Fe3Co5N | 2 | 18 | tetragonal | I4mm [107] | -0.015 | 0.045 | AGA search | 1.41 | 1.57 | c | 0.36 | . | . | . | . | DFT | DOI link |
MMD-383 | Fe3Co5N | 2 | 18 | tetragonal | I4mm [107] | -0.015 | 0.045 | AGA search | 1.41 | 1.57 | c | 0.36 | . | . | . | . | DFT | MS |
MMD-380 | Fe3Co5N | 2 | 18 | tetragonal | I4mm [107] | -0.015 | 0.045 | AGA search | 1.41 | 1.57 | c | 0.36 | . | . | . | . | DFT | MS |
MMD-377 | Fe3Co5N | 2 | 18 | tetragonal | I4mm [107] | -0.015 | 0.045 | AGA search | 1.41 | 1.57 | c | 0.36 | . | . | . | . | DFT | MS |
MMD-401 | Fe3Co5N | 2 | 18 | tetragonal | P4/mmm [123] | -0.012 | 0.048 | AGA search | 1.40 | 1.58 | c | 0.34 | . | . | . | . | DFT | MS |
MMD-400 | Fe3Co5N | 2 | 18 | tetragonal | I4mm [107] | -0.013 | 0.047 | AGA search | 1.39 | 1.58 | c | 0.36 | . | . | . | . | DFT | MS |
MMD-490 | Fe3Co5N | 2 | 18 | tetragonal | I4mm [107] | -0.015 | 0.045 | AGA search | 1.41 | 1.57 | c | 0.36 | . | . | . | . | DFT | MS |
MMD-491 | Fe3Co5N | 2 | 18 | tetragonal | P4/mmm [123] | -0.014 | 0.045 | AGA search | 1.42 | 1.58 | c | 0.29 | . | . | . | . | DFT | MS |