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{
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"updated_at": "2021-11-28T01:36:00.153000Z",
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{
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{
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{
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F\n0.955756 0.254339 0.130622 F\n0.455756 0.745661 0.869378 F\n0.518202 0.263007 0.122135 F\n0.018202 0.736993 0.877865 F\n0.554776 0.442107 0.160620 F\n0.054776 0.557893 0.839380 F\n0.212935 0.399926 0.983882 F\n0.712935 0.600074 0.016118 F\n0.474837 0.466534 0.048631 F\n0.974837 0.533466 0.951369 F\n0.462716 0.300446 0.012268 F\n0.962716 0.699554 0.987732 F\n0.029151 0.294848 0.022649 F\n0.529151 0.705152 0.977351 F\n0.041915 0.473963 0.061886 F\n0.541915 0.526037 0.938114 F\n",
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"elements": [
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],
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"formula_full": "K44 Sb22 F110",
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"updated_at": "2021-11-28T01:36:37.644000Z",
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},
{
"id": "mp-1195375",
"created_at": "2022-09-04T14:39:40.008631Z",
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"elements": [
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"updated_at": "2021-11-28T01:34:38.987000Z",
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},
{
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"nsites": 244,
"nelements": 7,
"elements": [
"Tb",
"H",
"C",
"S",
"N",
"O",
"F"
],
"chemical_system": "C-F-H-N-O-S-Tb",
"density": 2.202997682589429,
"density_atomic": 0.07428333922012614,
"volume": 3284.7204038168934,
"volume_molar": 8.106987143044826,
"formula_full": "Tb4 H40 C24 S24 N12 O68 F72",
"formula_reduced": "TbH10C6S6N3O17F18",
"formula_anonymous": "AB3C6D6E10F17G18",
"energy": -1435.84563694,
"energy_per_atom": -5.884613266147541,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -1351.53363694,
"band_gap": 5.6766,
"is_gap_direct": true,
"is_magnetic": false,
"total_magnetization": 5.2e-06,
"is_theoretical": false,
"updated_at": "2021-11-28T01:35:13.810000Z",
"spacegroup": 14
}
]
}