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-77 | Fe6CoN | 4 | 32 | orthorhombic | Amm2 [38] | -0.018 | 0.041 | AGA search | 1.98 | 2.12 | c | 0.73 | 0.63 | -0.09 | . | . | DFT | DOI link |
MMD-78 | Fe6CoN | 4 | 32 | orthorhombic | Amm2 [38] | -0.017 | 0.043 | AGA search | 1.98 | 2.10 | c | 1.12 | 1.13 | 0.01 | . | . | DFT | DOI link |
MMD-76 | Fe6CoN | 4 | 32 | orthorhombic | Amm2 [38] | -0.024 | 0.036 | AGA search | 2.04 | 2.17 | c | 0.23 | 0.11 | -0.12 | . | . | DFT | DOI link |
MMD-465 | Fe6CoN | 4 | 32 | orthorhombic | Amm2 [38] | -0.024 | 0.036 | AGA search | 2.04 | 2.17 | c | 0.20 | 0.09 | -0.12 | . | . | DFT | MS |
MMD-467 | Fe6CoN | 4 | 32 | orthorhombic | Cmcm [63] | -0.019 | 0.040 | AGA search | 2.01 | 2.15 | c | 0.28 | -0.69 | -0.97 | . | . | DFT | MS |
MMD-466 | Fe6CoN | 4 | 32 | orthorhombic | Amm2 [38] | -0.021 | 0.038 | AGA search | 2.04 | 2.14 | c | 0.48 | 0.53 | 0.05 | . | . | DFT | MS |