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-35 | FeCo4N | 4 | 24 | orthorhombic | Amm2 [38] | 0.025 | 0.070 | AGA search | 1.39 | 1.56 | c | 0.99 | 1.02 | 0.03 | . | . | DFT | DOI link |
MMD-34 | FeCo4N | 4 | 24 | orthorhombic | Amm2 [38] | 0.014 | 0.058 | AGA search | 1.41 | 1.57 | c | 1.09 | 0.92 | -0.17 | . | . | DFT | DOI link |
MMD-36 | FeCo4N | 2 | 12 | tetragonal | I4/m [87] | 0.028 | 0.072 | AGA search | 1.28 | 1.46 | ab plane | -1.89 | . | . | . | . | DFT | DOI link |
MMD-428 | FeCo4N | 4 | 24 | orthorhombic | Cmmm [65] | 0.023 | 0.067 | AGA search | 1.39 | 1.55 | a | -0.85 | 0.66 | 1.51 | . | . | DFT | MS |
MMD-423 | FeCo4N | 4 | 24 | orthorhombic | Cmmm [65] | 0.016 | 0.060 | AGA search | 1.41 | 1.57 | a | -0.17 | 0.13 | 0.29 | . | . | DFT | MS |
MMD-424 | FeCo4N | 4 | 24 | orthorhombic | Amm2 [38] | 0.017 | 0.061 | AGA search | 1.41 | 1.57 | c | 0.36 | 0.30 | -0.06 | . | . | DFT | MS |
MMD-426 | FeCo4N | 4 | 24 | orthorhombic | Amm2 [38] | 0.017 | 0.061 | AGA search | 1.41 | 1.58 | c | 0.35 | 0.32 | -0.03 | . | . | DFT | MS |
MMD-427 | FeCo4N | 4 | 24 | orthorhombic | Cmmm [65] | 0.021 | 0.066 | AGA search | 1.39 | 1.56 | a | -1.23 | -0.68 | 0.55 | . | . | DFT | MS |
MMD-361 | FeCo4N | 4 | 24 | orthorhombic | Amm2 [38] | 0.014 | 0.058 | AGA search | 1.41 | 1.57 | c | 1.06 | 1.02 | -0.04 | . | . | DFT | MS |
MMD-425 | FeCo4N | 4 | 24 | orthorhombic | Amm2 [38] | 0.014 | 0.058 | AGA search | 1.41 | 1.57 | c | 1.03 | 1.00 | -0.03 | . | . | DFT | MS |