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{
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"id": "mp-754825",
"created_at": "2022-09-04T14:43:40.995082Z",
"structure_string": "Na1 Tm1 O2\n1.0\n5.643810 -1.682498 0.000000\n5.643810 1.682498 0.000000\n5.142234 0.000000 2.870683\nNa Tm O\n1 1 2\ndirect\n0.500000 0.500000 0.500000 Na\n0.000000 0.000000 0.000000 Tm\n0.263788 0.263788 0.263788 O\n0.736212 0.736212 0.736212 O\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Na",
"Tm",
"O"
],
"chemical_system": "Na-O-Tm",
"density": 6.82032702327895,
"density_atomic": 0.07336988136656282,
"volume": 54.51828359944627,
"volume_molar": 8.207919445736623,
"formula_full": "Na1 Tm1 O2",
"formula_reduced": "NaTmO2",
"formula_anonymous": "ABC2",
"energy": -28.56062169,
"energy_per_atom": -7.1401554225,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -27.18662169,
"band_gap": 4.0764,
"is_gap_direct": true,
"is_magnetic": false,
"total_magnetization": 0.0,
"is_theoretical": true,
"updated_at": "2021-11-28T01:36:13.325000Z",
"spacegroup": 166
}
]
}