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"id": "mp-781897",
"created_at": "2022-09-04T14:47:05.739882Z",
"structure_string": "Gd6 Nb2 O14\n1.0\n3.724779 -5.390728 0.000000\n3.724779 5.390728 0.000000\n0.000000 0.000000 7.605202\nGd Nb O\n6 2 14\ndirect\n0.518840 0.060604 0.250000 Gd\n0.939396 0.481160 0.750000 Gd\n0.000000 0.000000 0.000000 Gd\n0.000000 0.000000 0.500000 Gd\n0.060604 0.518840 0.250000 Gd\n0.481160 0.939396 0.750000 Gd\n0.500000 0.500000 0.000000 Nb\n0.500000 0.500000 0.500000 Nb\n0.845590 0.109202 0.750000 O\n0.890798 0.154410 0.250000 O\n0.437437 0.179722 0.537376 O\n0.820278 0.562563 0.037376 O\n0.820278 0.562563 0.462624 O\n0.437437 0.179722 0.962624 O\n0.580687 0.580687 0.750000 O\n0.419313 0.419313 0.250000 O\n0.179722 0.437437 0.962624 O\n0.562563 0.820278 0.037376 O\n0.179722 0.437437 0.537376 O\n0.562563 0.820278 0.462624 O\n0.109202 0.845590 0.750000 O\n0.154410 0.890798 0.250000 O\n",
"nsites": 22,
"nelements": 3,
"elements": [
"Gd",
"Nb",
"O"
],
"chemical_system": "Gd-Nb-O",
"density": 7.357934200478858,
"density_atomic": 0.07203341459825927,
"volume": 305.413815556255,
"volume_molar": 8.360204487856569,
"formula_full": "Gd6 Nb2 O14",
"formula_reduced": "Gd3NbO7",
"formula_anonymous": "AB3C7",
"energy": -254.72372583000003,
"energy_per_atom": -11.57835117409091,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -245.10572583000004,
"band_gap": 1.9502,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 42.0000002,
"is_theoretical": true,
"updated_at": "2021-11-28T01:37:51.621000Z",
"spacegroup": 63
}
]
}