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-1738 | Zr4CoP | 2 | 12 | tetragonal | P4/mcc [124] | -0.634 | . | MP | 0.00 | 0.00 | . | . | . | . | . | . | DFT | mp-1102006 |
MMD-1805 | Zr9(CoP2)2 | 2 | 30 | tetragonal | P4/mbm [127] | -0.975 | 0 (stable) | MP | 0.00 | 0.00 | . | . | . | . | . | . | DFT | mp-1207414 |
MMD-1833 | Zr5Co19P12 | 1 | 36 | hexagonal | P-62m [189] | -0.895 | 0 (stable) | MP | 0.23 | 0.22 | . | . | . | . | . | . | DFT | mp-1215734 |
MMD-1953 | Zr2Co4P3 | 4 | 36 | hexagonal | P-62m [189] | -1.035 | 0 (stable) | MP | 0.05 | 0.05 | . | . | . | . | . | . | DFT | mp-18133 |
MMD-1980 | Zr2CoP | 2 | 8 | monoclinic | P2_1/m [11] | -0.957 | 0 (stable) | MP | 0.00 | 0.00 | . | . | . | . | . | . | DFT | mp-29152 |
MMD-2051 | Zr2Co12P7 | 1 | 21 | hexagonal | P-6 [174] | -0.793 | 0 (stable) | MP | 0.25 | 0.25 | . | . | . | . | . | . | DFT | mp-972631 |
MMD-2042 | ZrCoP | 4 | 12 | orthorhombic | Pnma [62] | -1.167 | 0 (stable) | MP | 0.00 | 0.00 | . | . | . | . | . | . | DFT | mp-8418 |