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{
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{
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{
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{
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},
{
"id": "mp-19965",
"created_at": "2022-09-04T14:40:25.235354Z",
"structure_string": "K4 Ba1 U3 O12\n1.0\n-4.455958 4.455958 4.455958\n4.455958 -4.455958 4.455958\n4.455958 4.455958 -4.455958\nK Ba U O\n4 1 3 12\ndirect\n0.500000 0.500000 0.500000 K\n0.000000 0.500000 0.000000 K\n0.500000 0.000000 0.000000 K\n0.000000 0.000000 0.500000 K\n0.000000 0.000000 0.000000 Ba\n0.500000 0.500000 0.000000 U\n0.000000 0.500000 0.500000 U\n0.500000 0.000000 0.500000 U\n0.250000 0.500000 0.750000 O\n0.250000 0.750000 0.500000 O\n0.750000 0.250000 0.500000 O\n0.500000 0.250000 0.750000 O\n0.500000 0.750000 0.250000 O\n0.750000 0.500000 0.250000 O\n0.716014 0.000000 0.716014 O\n0.716014 0.716014 0.000000 O\n0.283986 0.000000 0.283986 O\n0.000000 0.283986 0.283986 O\n0.000000 0.716014 0.716014 O\n0.283986 0.283986 0.000000 O\n",
"nsites": 20,
"nelements": 4,
"elements": [
"K",
"Ba",
"U",
"O"
],
"chemical_system": "Ba-K-O-U",
"density": 5.62956191418849,
"density_atomic": 0.0565127886403074,
"volume": 353.9021959665803,
"volume_molar": 10.656244196919253,
"formula_full": "K4 Ba1 U3 O12",
"formula_reduced": "K4BaU3O12",
"formula_anonymous": "AB3C4D12",
"energy": -163.82890328,
"energy_per_atom": -8.191445164,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -155.58490328,
"band_gap": 1.9898,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0001793,
"is_theoretical": false,
"updated_at": "2021-11-28T01:34:53.719000Z",
"spacegroup": 229
}
]
}