| { | |
| "formula": "Li2Sc2CuSn2Rh", | |
| "e_hull_dft": -0.0129, | |
| "electronic": { | |
| "natoms": 8, | |
| "magnetic": null, | |
| "magnetism_note": "not tested (no Fe/Co/Ni/Mn/Cr; treated as non-magnetic)", | |
| "fermi_eV": 12.633152174188139, | |
| "metal": false, | |
| "pbe_gap_eV": 0.051, | |
| "pbe_direct_gap_eV": 0.342, | |
| "dos_at_EF_states_eV_atom": 0.0003, | |
| "hours": 0.51 | |
| }, | |
| "elastic": { | |
| "C_GPa": [ | |
| [ | |
| 178.6, | |
| 28.5, | |
| 69.7, | |
| 0.0, | |
| -0.0, | |
| -1.2 | |
| ], | |
| [ | |
| 28.5, | |
| 178.7, | |
| 69.8, | |
| 0.0, | |
| -0.0, | |
| -1.2 | |
| ], | |
| [ | |
| 69.7, | |
| 69.8, | |
| 139.3, | |
| 0.0, | |
| -0.0, | |
| -1.2 | |
| ], | |
| [ | |
| 0.0, | |
| 0.0, | |
| 0.0, | |
| 78.0, | |
| 0.0, | |
| 0.0 | |
| ], | |
| [ | |
| -0.0, | |
| -0.0, | |
| -0.0, | |
| 0.0, | |
| 78.0, | |
| 0.0 | |
| ], | |
| [ | |
| -1.2, | |
| -1.2, | |
| -1.2, | |
| 0.0, | |
| 0.0, | |
| 32.9 | |
| ] | |
| ], | |
| "born_stable": true, | |
| "bulk_modulus_GPa": 92.5, | |
| "shear_modulus_GPa": 55.3, | |
| "youngs_modulus_GPa": 138.2, | |
| "poisson": 0.251, | |
| "pugh_B_over_G": 1.67, | |
| "ductile": false, | |
| "vickers_hardness_GPa_chen": 8.4, | |
| "hours": 1.9 | |
| } | |
| } |