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-43 | Fe3Co2N | 4 | 24 | orthorhombic | Amm2 [38] | -0.014 | 0.076 | AGA search | 1.61 | 1.78 | c | 1.65 | 1.48 | -0.17 | . | . | DFT | DOI link |
MMD-42 | Fe3Co2N | 4 | 24 | orthorhombic | Amm2 [38] | -0.018 | 0.071 | AGA search | 1.57 | 1.74 | c | 0.90 | 1.09 | 0.18 | . | . | DFT | DOI link |
MMD-44 | Fe3Co2N | 4 | 24 | orthorhombic | Amm2 [38] | -0.014 | 0.076 | AGA search | 1.60 | 1.77 | c | 0.88 | 1.05 | 0.17 | . | . | DFT | DOI link |
MMD-438 | Fe3Co2N | 4 | 24 | orthorhombic | Amm2 [38] | -0.017 | 0.073 | AGA search | 1.60 | 1.76 | c | 0.81 | 1.07 | 0.26 | . | . | DFT | MS |
MMD-442 | Fe3Co2N | 4 | 24 | orthorhombic | Amm2 [38] | -0.011 | 0.079 | AGA search | 1.63 | 1.80 | c | 1.15 | 1.12 | -0.03 | . | . | DFT | MS |
MMD-440 | Fe3Co2N | 4 | 24 | orthorhombic | Amm2 [38] | -0.013 | 0.076 | AGA search | 1.63 | 1.79 | c | 0.49 | 0.94 | 0.44 | . | . | DFT | MS |
MMD-437 | Fe3Co2N | 4 | 24 | orthorhombic | Amm2 [38] | -0.017 | 0.073 | AGA search | 1.63 | 1.79 | c | 0.66 | 0.74 | 0.08 | . | . | DFT | MS |
MMD-436 | Fe3Co2N | 4 | 24 | orthorhombic | Amm2 [38] | -0.018 | 0.071 | AGA search | 1.57 | 1.74 | c | 0.90 | 1.08 | 0.18 | . | . | DFT | MS |
MMD-441 | Fe3Co2N | 4 | 24 | orthorhombic | Amm2 [38] | -0.012 | 0.078 | AGA search | 1.61 | 1.78 | c | 1.46 | 1.40 | -0.06 | . | . | DFT | MS |
MMD-359 | Fe3Co2N | 4 | 24 | orthorhombic | Amm2 [38] | -0.018 | 0.071 | AGA search | 1.57 | 1.74 | c | 0.90 | 1.09 | 0.18 | . | . | DFT | MS |
MMD-439 | Fe3Co2N | 4 | 24 | orthorhombic | Amm2 [38] | -0.014 | 0.076 | AGA search | 1.61 | 1.78 | c | 1.65 | 1.48 | -0.17 | . | . | DFT | MS |