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-2078 | Fe(BMo)2 | 2 | 10 | tetragonal | P4/mbm [127] | -0.453 | 0 (stable) | MP | 0.37 | 0.41 | . | . | . | . | . | . | DFT | mp-1078299 |
MMD-2334 | Fe2B4Mo | 2 | 14 | orthorhombic | Immm [71] | -0.403 | . | MP | 0.20 | 0.28 | . | . | . | . | . | . | DFT | mp-15722 |