| { | |
| "formula": "LaNd2(GeRh)4", | |
| "e_hull_dft": 0.0173, | |
| "electronic": { | |
| "natoms": 22, | |
| "magnetic": null, | |
| "magnetism_note": "not tested (no Fe/Co/Ni/Mn/Cr; treated as non-magnetic)", | |
| "fermi_eV": 15.041569268247196, | |
| "metal": true, | |
| "pbe_gap_eV": 0.0, | |
| "dos_at_EF_states_eV_atom": 4.4072, | |
| "hours": 12.32 | |
| }, | |
| "elastic": { | |
| "C_GPa": [ | |
| [ | |
| 120.7, | |
| 87.2, | |
| 76.9, | |
| 0.0, | |
| 0.0, | |
| 0.0 | |
| ], | |
| [ | |
| 87.2, | |
| 176.5, | |
| 109.6, | |
| 0.0, | |
| 0.0, | |
| 0.0 | |
| ], | |
| [ | |
| 76.9, | |
| 109.6, | |
| 178.5, | |
| 0.0, | |
| 0.0, | |
| 0.0 | |
| ], | |
| [ | |
| 0.0, | |
| 0.0, | |
| 0.0, | |
| 16.9, | |
| 0.0, | |
| 0.0 | |
| ], | |
| [ | |
| 0.0, | |
| 0.0, | |
| 0.0, | |
| 0.0, | |
| 37.0, | |
| 0.0 | |
| ], | |
| [ | |
| 0.0, | |
| 0.0, | |
| 0.0, | |
| 0.0, | |
| 0.0, | |
| 55.4 | |
| ] | |
| ], | |
| "born_stable": true, | |
| "bulk_modulus_GPa": 109.6, | |
| "shear_modulus_GPa": 32.7, | |
| "youngs_modulus_GPa": 89.1, | |
| "poisson": 0.364, | |
| "pugh_B_over_G": 3.36, | |
| "ductile": true, | |
| "vickers_hardness_GPa_chen": 0.7, | |
| "hours": 94.39 | |
| } | |
| } |