| { | |
| "formula": "BaCdGePd2", | |
| "e_hull_dft": 0.003, | |
| "electronic": { | |
| "natoms": 10, | |
| "magnetic": null, | |
| "magnetism_note": "not tested (no Fe/Co/Ni/Mn/Cr; treated as non-magnetic)", | |
| "fermi_eV": 12.208165314244058, | |
| "metal": true, | |
| "pbe_gap_eV": 0.0, | |
| "dos_at_EF_states_eV_atom": 0.4514, | |
| "hours": 1.14 | |
| }, | |
| "elastic": { | |
| "C_GPa": [ | |
| [ | |
| 112.2, | |
| 37.3, | |
| 53.6, | |
| -0.0, | |
| -0.0, | |
| 0.0 | |
| ], | |
| [ | |
| 37.3, | |
| 112.2, | |
| 53.6, | |
| -0.0, | |
| 0.0, | |
| 0.0 | |
| ], | |
| [ | |
| 53.6, | |
| 53.6, | |
| 102.0, | |
| 0.1, | |
| 0.0, | |
| 0.0 | |
| ], | |
| [ | |
| -0.0, | |
| -0.0, | |
| 0.1, | |
| 26.5, | |
| 0.0, | |
| 0.0 | |
| ], | |
| [ | |
| -0.0, | |
| 0.0, | |
| 0.0, | |
| 0.0, | |
| 26.5, | |
| 0.0 | |
| ], | |
| [ | |
| 0.0, | |
| 0.0, | |
| 0.0, | |
| 0.0, | |
| 0.0, | |
| 15.9 | |
| ] | |
| ], | |
| "born_stable": true, | |
| "bulk_modulus_GPa": 68.3, | |
| "shear_modulus_GPa": 25.0, | |
| "youngs_modulus_GPa": 66.8, | |
| "poisson": 0.337, | |
| "pugh_B_over_G": 2.74, | |
| "ductile": true, | |
| "vickers_hardness_GPa_chen": 1.0, | |
| "hours": 33.6 | |
| } | |
| } |