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-31 | Fe3CoN | 4 | 20 | tetragonal | I4mm [107] | -0.033 | 0.057 | AGA search | 1.73 | 1.91 | c | 0.96 | . | . | . | . | DFT | DOI link |
MMD-30 | Fe3CoN | 2 | 10 | orthorhombic | Pmm2 [25] | -0.036 | 0.054 | AGA search | 1.76 | 1.92 | c | 0.23 | -0.46 | -0.68 | . | . | DFT | DOI link |
MMD-416 | Fe3CoN | 1 | 5 | tetragonal | P4/mmm [123] | -0.036 | 0.054 | AGA search | 1.66 | 1.85 | c | 0.54 | . | . | . | . | DFT | MS |
MMD-418 | Fe3CoN | 2 | 10 | orthorhombic | Pmm2 [25] | -0.036 | 0.054 | AGA search | 1.76 | 1.92 | c | 0.23 | -0.46 | -0.68 | . | . | DFT | MS |
MMD-417 | Fe3CoN | 4 | 20 | tetragonal | I4mm [107] | -0.033 | 0.057 | AGA search | 1.73 | 1.91 | c | 0.97 | . | . | . | . | DFT | MS |
MMD-348 | Fe3CoN | 2 | 10 | orthorhombic | Pmm2 [25] | -0.036 | 0.054 | AGA search | 1.76 | 1.92 | c | 0.23 | -0.45 | -0.68 | . | . | DFT | MS |
MMD-2511 | Fe3CoN | 1 | 5 | cubic | Pm-3m [221] | 0.016 | . | MP | 1.51 | 1.77 | <111> | . | . | . | -0.00 | . | DFT | mp-1212650 |