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{
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"formula_full": "K1 La1 Ga1 Bi1 O6",
"formula_reduced": "KLaGaBiO6",
"formula_anonymous": "ABCDE6",
"energy": -64.31850925,
"energy_per_atom": -6.431850925000001,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -60.19650925,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 3.8e-06,
"is_theoretical": true,
"updated_at": "2021-11-28T01:34:44.310000Z",
"spacegroup": 216
},
{
"id": "mp-556619",
"created_at": "2022-09-04T14:41:28.305215Z",
"structure_string": "Na2 La2 Mg2 W2 O12\n1.0\n5.603532 0.000000 0.000000\n0.000000 5.603532 0.000000\n0.000000 0.000000 8.019799\nNa La Mg W O\n2 2 2 2 12\ndirect\n0.000000 0.000000 0.500000 Na\n0.500000 0.500000 0.500000 Na\n0.000000 0.000000 0.000000 La\n0.500000 0.500000 0.000000 La\n0.000000 0.500000 0.255204 Mg\n0.500000 0.000000 0.744796 Mg\n0.000000 0.500000 0.743055 W\n0.500000 0.000000 0.256945 W\n0.243454 0.256546 0.770423 O\n0.256546 0.243454 0.229577 O\n0.000000 0.500000 0.996460 O\n0.243454 0.743454 0.770423 O\n0.000000 0.500000 0.509926 O\n0.500000 0.000000 0.003540 O\n0.256546 0.756546 0.229577 O\n0.756546 0.256546 0.770423 O\n0.500000 0.000000 0.490074 O\n0.756546 0.743454 0.770423 O\n0.743454 0.756546 0.229577 O\n0.743454 0.243454 0.229577 O\n",
"nsites": 20,
"nelements": 5,
"elements": [
"Na",
"La",
"Mg",
"W",
"O"
],
"chemical_system": "La-Mg-Na-O-W",
"density": 6.1462745840810316,
"density_atomic": 0.07942236208063315,
"volume": 251.81824710394665,
"volume_molar": 7.582424649982145,
"formula_full": "Na2 La2 Mg2 W2 O12",
"formula_reduced": "NaLaMgWO6",
"formula_anonymous": "ABCDE6",
"energy": -158.38752235,
"energy_per_atom": -7.919376117500001,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -141.26752235,
"band_gap": 3.2493,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0008118,
"is_theoretical": false,
"updated_at": "2021-11-28T01:35:19.399000Z",
"spacegroup": 129
}
]
}