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-600 | Zr2Co12B | 2 | 30 | orthorhombic | Cmmm [65] | -0.150 | 0.066 | AGA search | 0.90 | 0.88 | c | 0.69 | -0.12 | -0.81 | . | . | DFT | MS |
MMD-540 | Zr2Co12B | 2 | 30 | triclinic | P-1 [2] | -0.149 | 0.068 | AGA search | 0.99 | 0.97 | . | . | . | . | . | . | DFT | MS |
MMD-526 | Zr2Co12B | 2 | 30 | orthorhombic | Cmmm [65] | -0.150 | 0.067 | AGA search | 0.90 | 0.88 | c | 0.67 | -0.11 | -0.78 | . | . | DFT | MS |
MMD-538 | Zr2Co12B | 2 | 30 | triclinic | P-1 [2] | -0.148 | 0.068 | AGA search | 0.97 | 0.95 | . | . | . | . | . | . | DFT | MS |
MMD-541 | Zr2Co12B | 2 | 30 | triclinic | P-1 [2] | -0.146 | 0.070 | AGA search | 1.01 | 0.97 | . | . | . | . | . | . | DFT | MS |
MMD-539 | Zr2Co12B | 2 | 30 | triclinic | P-1 [2] | -0.149 | 0.068 | AGA search | 0.99 | 0.97 | . | . | . | . | . | . | DFT | MS |