Crystallographic data | Sstructural stability [Footnotes] | Magnetic properties [Footnotes, magnetic units] | Methods | References | ||||||||||||||
---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
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-10 | Fe3Co3N2 | 1 | 8 | triclinic | P1 [1] | -0.005 | 0.079 | AGA search | 1.06 | 1.25 | . | . | . | . | . | . | DFT | DOI link |
MMD-12 | Fe3Co3N2 | 2 | 16 | orthorhombic | Amm2 [38] | 0.012 | 0.096 | AGA search | 1.37 | 1.59 | c | 2.21 | 2.14 | -0.08 | . | . | DFT | DOI link |
MMD-11 | Fe3Co3N2 | 2 | 16 | orthorhombic | Amm2 [38] | 0.009 | 0.093 | AGA search | 1.20 | 1.40 | c | 2.16 | 2.02 | -0.15 | . | . | DFT | DOI link |
MMD-407 | Fe3Co3N2 | 1 | 8 | triclinic | P1 [1] | -0.005 | 0.079 | AGA search | 1.06 | 1.25 | . | . | . | . | . | . | DFT | MS |
MMD-340 | Fe3Co3N2 | 1 | 8 | triclinic | P1 [1] | -0.005 | 0.079 | AGA search | 1.06 | 1.25 | . | . | . | . | . | . | DFT | MS |
MMD-408 | Fe3Co3N2 | 1 | 8 | triclinic | P1 [1] | -0.003 | 0.081 | AGA search | 1.14 | 1.34 | . | . | . | . | . | . | DFT | MS |
MMD-341 | Fe3Co3N2 | 1 | 8 | triclinic | P1 [1] | -0.003 | 0.081 | AGA search | 1.14 | 1.34 | . | . | . | . | . | . | DFT | MS |