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"total_magnetization": 0.0003266,
"is_theoretical": true,
"updated_at": "2021-11-28T01:38:09.172000Z",
"spacegroup": 1
},
{
"id": "mp-1101316",
"created_at": "2022-09-04T14:47:08.726693Z",
"structure_string": "Ta1 O1 F3\n1.0\n-1.936574 2.052494 4.373146\n1.936574 -2.052494 4.373146\n1.936574 2.052494 -4.373146\nTa O F\n1 1 3\ndirect\n0.000000 0.000000 0.000000 Ta\n0.000000 0.500000 0.500000 O\n0.782338 0.782338 0.000000 F\n0.500000 0.000000 0.500000 F\n0.217662 0.217662 0.000000 F\n",
"nsites": 5,
"nelements": 3,
"elements": [
"Ta",
"O",
"F"
],
"chemical_system": "F-O-Ta",
"density": 6.06477242959079,
"density_atomic": 0.07191178073136538,
"volume": 69.52963685711063,
"volume_molar": 8.374345202904085,
"formula_full": "Ta1 O1 F3",
"formula_reduced": "TaOF3",
"formula_anonymous": "ABC3",
"energy": -39.79215598,
"energy_per_atom": -7.958431195999999,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -37.71915598,
"band_gap": 2.7903,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0002367,
"is_theoretical": true,
"updated_at": "2021-11-28T01:37:56.637000Z",
"spacegroup": 71
}
]
}