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{
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},
{
"id": "mp-864801",
"created_at": "2022-09-04T14:41:16.862873Z",
"structure_string": "Yb2 O4\n1.0\n4.086761 0.000000 0.000000\n0.000000 4.086761 0.000000\n0.000000 0.000000 4.472019\nYb O\n2 4\ndirect\n0.000000 0.000000 0.000000 Yb\n0.500000 0.500000 0.500000 Yb\n0.373365 0.373365 0.000000 O\n0.626635 0.626635 0.000000 O\n0.873365 0.126635 0.500000 O\n0.126635 0.873365 0.500000 O\n",
"nsites": 6,
"nelements": 2,
"elements": [
"Yb",
"O"
],
"chemical_system": "O-Yb",
"density": 9.117022446110584,
"density_atomic": 0.08033210178005007,
"volume": 74.68994171754709,
"volume_molar": 7.496555706321078,
"formula_full": "Yb2 O4",
"formula_reduced": "YbO2",
"formula_anonymous": "AB2",
"energy": -36.30196377,
"energy_per_atom": -6.050327295,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -35.65796377,
"band_gap": 3.1624,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:14.498000Z",
"spacegroup": 136
}
]
}