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-622 | Zr2Co11C | 1 | 14 | triclinic | P1 [1] | -0.129 | 0.085 | AGA search | 0.96 | 0.93 | . | . | . | . | . | . | DFT | MS |
MMD-626 | Zr2Co11C | 1 | 14 | triclinic | P1 [1] | -0.128 | 0.085 | AGA search | 0.96 | 0.93 | . | . | . | . | . | . | DFT | MS |
MMD-560 | Zr2Co11C | 2 | 28 | triclinic | P1 [1] | -0.131 | 0.082 | AGA search | 0.89 | 0.86 | . | . | . | . | . | . | DFT | MS |
MMD-623 | Zr2Co11C | 1 | 14 | triclinic | P1 [1] | -0.127 | 0.086 | AGA search | 0.97 | 0.94 | . | . | . | . | . | . | DFT | MS |
MMD-529 | Zr2Co11C | 1 | 14 | triclinic | P1 [1] | -0.075 | 0.138 | AGA search | 0.93 | 0.90 | . | . | . | . | . | . | DFT | MS |
MMD-625 | Zr2Co11C | 1 | 14 | triclinic | P1 [1] | -0.128 | 0.085 | AGA search | 0.96 | 0.93 | . | . | . | . | . | . | DFT | MS |
MMD-621 | Zr2Co11C | 1 | 14 | triclinic | P1 [1] | -0.126 | 0.087 | AGA search | 0.95 | 0.92 | . | . | . | . | . | . | DFT | MS |
MMD-620 | Zr2Co11C | 2 | 28 | monoclinic | C2 [5] | -0.126 | 0.087 | AGA search | 0.96 | 0.93 | a | -0.56 | -0.39 | 0.17 | . | . | DFT | MS |
MMD-624 | Zr2Co11C | 1 | 14 | triclinic | P1 [1] | -0.127 | 0.086 | AGA search | 0.95 | 0.92 | . | . | . | . | . | . | DFT | MS |