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-24 | Fe3Co5N2 | 2 | 20 | tetragonal | I4/mmm [139] | -0.011 | 0.056 | AGA search | 1.55 | 1.73 | c | 0.94 | . | . | . | . | DFT | DOI link |
MMD-23 | Fe3Co5N2 | 1 | 10 | orthorhombic | Pmmm [47] | -0.024 | 0.043 | AGA search | 1.55 | 1.73 | a | -0.07 | -0.07 | 0.01 | . | . | DFT | DOI link |
MMD-25 | Fe3Co5N2 | 2 | 20 | tetragonal | I-4m2 [119] | 0.002 | 0.068 | AGA search | 1.51 | 1.70 | c | 1.58 | . | . | . | . | DFT | DOI link |
MMD-413 | Fe3Co5N2 | 1 | 10 | orthorhombic | Pmmm [47] | -0.024 | 0.043 | AGA search | 1.55 | 1.73 | c | 0.07 | 0.01 | -0.06 | . | . | DFT | MS |
MMD-353 | Fe3Co5N2 | 1 | 10 | orthorhombic | Pmmm [47] | -0.024 | 0.043 | AGA search | 1.55 | 1.73 | c | 0.07 | -0.01 | -0.07 | . | . | DFT | MS |