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-39 | Fe2Co3N | 4 | 24 | orthorhombic | Amm2 [38] | -0.009 | 0.058 | AGA search | 1.51 | 1.67 | c | 1.39 | 1.89 | 0.49 | . | . | DFT | DOI link |
MMD-40 | Fe2Co3N | 4 | 24 | orthorhombic | Amm2 [38] | -0.009 | 0.058 | AGA search | 1.53 | 1.68 | c | 1.18 | 1.48 | 0.30 | . | . | DFT | DOI link |
MMD-37 | Fe2Co3N | 4 | 24 | orthorhombic | Amm2 [38] | -0.012 | 0.055 | AGA search | 1.52 | 1.68 | c | 1.40 | 1.24 | -0.16 | . | . | DFT | DOI link |
MMD-38 | Fe2Co3N | 4 | 24 | orthorhombic | Amm2 [38] | -0.010 | 0.057 | AGA search | 1.52 | 1.68 | c | 1.31 | 1.47 | 0.15 | . | . | DFT | DOI link |
MMD-41 | Fe2Co3N | 4 | 24 | orthorhombic | Amm2 [38] | -0.008 | 0.059 | AGA search | 1.51 | 1.67 | c | 1.39 | 1.67 | 0.28 | . | . | DFT | DOI link |
MMD-431 | Fe2Co3N | 4 | 24 | orthorhombic | Amm2 [38] | -0.010 | 0.057 | AGA search | 1.52 | 1.68 | c | 1.28 | 1.46 | 0.18 | . | . | DFT | MS |
MMD-432 | Fe2Co3N | 4 | 24 | orthorhombic | Amm2 [38] | -0.009 | 0.058 | AGA search | 1.51 | 1.67 | c | 1.39 | 1.89 | 0.49 | . | . | DFT | MS |
MMD-435 | Fe2Co3N | 4 | 24 | orthorhombic | Amm2 [38] | -0.006 | 0.061 | AGA search | 1.53 | 1.69 | c | 0.59 | 0.47 | -0.12 | . | . | DFT | MS |
MMD-434 | Fe2Co3N | 4 | 24 | orthorhombic | Amm2 [38] | -0.008 | 0.059 | AGA search | 1.51 | 1.67 | c | 1.39 | 1.67 | 0.28 | . | . | DFT | MS |
MMD-430 | Fe2Co3N | 4 | 24 | orthorhombic | Amm2 [38] | -0.010 | 0.057 | AGA search | 1.52 | 1.68 | c | 1.28 | 1.46 | 0.18 | . | . | DFT | MS |
MMD-433 | Fe2Co3N | 4 | 24 | orthorhombic | Amm2 [38] | -0.009 | 0.058 | AGA search | 1.53 | 1.68 | c | 1.18 | 1.48 | 0.30 | . | . | DFT | MS |
MMD-360 | Fe2Co3N | 4 | 24 | orthorhombic | Amm2 [38] | -0.012 | 0.055 | AGA search | 1.52 | 1.68 | c | 1.40 | 1.24 | -0.16 | . | . | DFT | MS |
MMD-429 | Fe2Co3N | 4 | 24 | orthorhombic | Amm2 [38] | -0.012 | 0.055 | AGA search | 1.52 | 1.68 | c | 1.40 | 1.24 | -0.16 | . | . | DFT | MS |