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-3106 | YSiNi4 | 2 | 12 | orthorhombic | Cmmm [65] | -0.607 | 0 (stable) | MP | 0.00 | 0.00 | . | . | . | . | . | . | DFT | mp-1072437 |
MMD-3101 | YSi3Ni | 4 | 20 | orthorhombic | Cmmm [65] | -0.699 | 0 (stable) | MP | 0.00 | 0.00 | . | . | . | . | . | . | DFT | mp-10284 |
MMD-3193 | Y3(SiNi3)2 | 4 | 44 | cubic | Im-3m [229] | -0.653 | 0 (stable) | MP | 0.00 | 0.00 | . | . | . | . | . | . | DFT | mp-1207795 |
MMD-3192 | Y3(SiNi)2 | 2 | 14 | orthorhombic | Immm [71] | -0.712 | . | MP | 0.00 | 0.00 | . | . | . | . | . | . | DFT | mp-1207763 |
MMD-3185 | YSi2Ni | 4 | 16 | orthorhombic | Cmcm [63] | -0.847 | 0 (stable) | MP | 0.00 | 0.00 | . | . | . | . | . | . | DFT | mp-1206088 |
MMD-3229 | Y3Si3Ni | 2 | 14 | orthorhombic | Imm2 [44] | -0.809 | . | MP | 0.00 | 0.00 | . | . | . | . | . | . | DFT | mp-1216074 |
MMD-3195 | Y6Si7Ni16 | 4 | 116 | cubic | Fm-3m [225] | -0.677 | . | MP | 0.00 | 0.00 | . | . | . | . | . | . | DFT | mp-1207874 |
MMD-3437 | Y(SiNi)2 | 2 | 10 | tetragonal | I4/mmm [139] | -0.864 | 0 (stable) | MP | 0.00 | 0.00 | . | . | . | . | . | . | DFT | mp-5176 |
MMD-3374 | YSiNi | 4 | 12 | orthorhombic | Pnma [62] | -0.829 | 0 (stable) | MP | 0.00 | 0.00 | . | . | . | . | . | . | DFT | mp-20557 |
MMD-3381 | YSi3Ni5 | 4 | 36 | orthorhombic | Pnma [62] | -0.721 | 0 (stable) | MP | 0.00 | 0.00 | . | . | . | . | . | . | DFT | mp-21661 |
MMD-3370 | Y2Si5Ni3 | 4 | 40 | orthorhombic | Ibam [72] | -0.799 | 0 (stable) | MP | 0.00 | 0.00 | . | . | . | . | . | . | DFT | mp-16914 |