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-33 | Fe7CoN2 | 2 | 20 | tetragonal | I4mm [107] | -0.032 | 0.042 | AGA search | 1.83 | 2.00 | c | 0.88 | . | . | . | . | DFT | DOI link |
MMD-31 | Fe3CoN | 4 | 20 | tetragonal | I4mm [107] | -0.033 | 0.057 | AGA search | 1.73 | 1.91 | c | 0.96 | . | . | . | . | DFT | DOI link |
MMD-22 | FeCo3N | 4 | 20 | tetragonal | I4mm [107] | 0.011 | 0.064 | AGA search | 1.47 | 1.65 | c | 1.27 | . | . | . | . | 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-100 | Fe7CoN | 2 | 18 | tetragonal | I4mm [107] | -0.020 | 0.033 | AGA search | 2.02 | 2.12 | c | 1.35 | . | . | . | . | 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-420 | Fe7CoN2 | 2 | 20 | tetragonal | I4mm [107] | -0.032 | 0.042 | AGA search | 1.83 | 2.00 | c | 0.88 | . | . | . | . | 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-417 | Fe3CoN | 4 | 20 | tetragonal | I4mm [107] | -0.033 | 0.057 | AGA search | 1.73 | 1.91 | c | 0.97 | . | . | . | . | 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-633 | Zr2Co18C | 2 | 42 | tetragonal | I4mm [107] | -0.041 | 0.101 | AGA search | 1.10 | 1.11 | a | -0.34 | -0.34 | 0.01 | . | . | DFT | MS |
MMD-1398 | Co5Ge7 | 2 | 24 | tetragonal | I4mm [107] | 0.406 | 0.577 | MP | 0.24 | 0.18 | c | 0.29 | . | . | . | . | DFT | mp-22732 |
MMD-1796 | ZrGa2Co | 20 | 80 | tetragonal | I4mm [107] | -0.529 | 0 (stable) | MP | 0.00 | 0.00 | . | . | . | . | . | . | DFT | mp-1201034 |
MMD-2911 | Mn2Al2Cu | 2 | 10 | tetragonal | I4mm [107] | -0.018 | . | MP | 0.18 | 0.17 | . | . | . | . | . | . | DFT | mp-1221904 |
MMD-3239 | TiCuNi | 2 | 6 | tetragonal | I4mm [107] | -0.314 | 0 (stable) | MP | 0.00 | 0.00 | . | . | . | . | . | . | DFT | mp-1216850 |
MMD-3181 | ZrGa2Ni | 20 | 80 | tetragonal | I4mm [107] | -0.584 | 0 (stable) | MP | 0.00 | 0.00 | . | . | . | . | . | . | DFT | mp-1200150 |