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"id": "mp-1095889",
"created_at": "2022-09-04T14:45:52.820527Z",
"structure_string": "Ta1 Nb1 Os2\n1.0\n-4.686802 5.257893 7.375045\n4.686802 -5.257893 7.375045\n4.686802 5.257893 -7.375045\nTa Nb Os\n1 1 2\ndirect\n0.000000 0.500000 0.500000 Ta\n0.000000 0.000000 0.000000 Nb\n0.000000 0.249350 0.249350 Os\n0.000000 0.750650 0.750650 Os\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Ta",
"Nb",
"Os"
],
"chemical_system": "Nb-Os-Ta",
"density": 1.4945913571328786,
"density_atomic": 0.005502334327510486,
"volume": 726.964186818104,
"volume_molar": 109.44701651243898,
"formula_full": "Ta1 Nb1 Os2",
"formula_reduced": "TaNbOs2",
"formula_anonymous": "ABC2",
"energy": -26.74215292,
"energy_per_atom": -6.68553823,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -26.74215292,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0052442,
"is_theoretical": true,
"updated_at": "2021-11-28T01:37:08.737000Z",
"spacegroup": 71
}
]
}