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-3203 | Nb3(Ni10B3)2 | 4 | 116 | cubic | Fm-3m [225] | -0.362 | 0 (stable) | MP | 0.00 | 0.00 | . | . | . | . | . | . | DFT | mp-1210153 |
MMD-3285 | Nb5Ni41B12 | 3 | 174 | trigonal | R-3m [166] | -0.341 | 0 (stable) | MP | 0.00 | 0.00 | . | . | . | . | . | . | DFT | mp-1220806 |
MMD-3204 | Nb2(Ni7B2)3 | 4 | 116 | cubic | Fm-3m [225] | -0.321 | 0 (stable) | MP | 0.00 | 0.00 | . | . | . | . | . | . | DFT | mp-1210179 |
MMD-3509 | NbNiB | 4 | 12 | orthorhombic | Cmcm [63] | -0.589 | . | MP | 0.00 | 0.00 | . | . | . | . | . | . | DFT | mp-9985 |