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{
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{
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{
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{
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{
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{
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"structure_string": "Li1 Bi2 As2 Pb2 O10\n1.0\n5.573003 -0.015997 -2.168913\n-1.099929 6.734646 -2.477359\n-0.036471 0.242144 7.398473\nLi Bi As Pb O\n1 2 2 2 10\ndirect\n0.636220 0.488896 0.989325 Li\n0.116523 0.261013 0.040344 Bi\n0.052714 0.762362 0.985074 Bi\n0.659819 0.654609 0.357213 As\n0.282617 0.344585 0.644753 As\n0.445505 0.900952 0.703509 Pb\n0.716199 0.093190 0.295931 Pb\n0.146316 0.306546 0.384940 O\n0.409560 0.787709 0.306772 O\n0.781450 0.696835 0.631266 O\n0.538017 0.401142 0.189235 O\n0.079868 0.213689 0.696371 O\n0.838922 0.723852 0.232085 O\n0.296186 0.007329 0.007493 O\n0.832468 0.012506 0.002375 O\n0.348900 0.586808 0.808402 O\n0.556812 0.257978 0.724912 O\n",
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{
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{
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{
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"density": 2.2996265343269573,
"density_atomic": 0.045312326192693174,
"volume": 706.2096053934249,
"volume_molar": 13.290292655447686,
"formula_full": "K8 Al8 Si16",
"formula_reduced": "KAlSi2",
"formula_anonymous": "ABC2",
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"updated_at": "2021-11-28T01:36:29.800000Z",
"spacegroup": 142
},
{
"id": "mp-4350",
"created_at": "2022-09-04T14:44:25.692755Z",
"structure_string": "La8 Se12 O36\n1.0\n7.167089 0.000000 0.000000\n0.000000 8.573157 0.000000\n0.000000 0.000000 14.456545\nLa Se O\n8 12 36\ndirect\n0.179129 0.300251 0.063888 La\n0.679129 0.199749 0.936112 La\n0.320871 0.800251 0.436112 La\n0.820871 0.699749 0.563888 La\n0.820871 0.699749 0.936112 La\n0.320871 0.800251 0.063888 La\n0.679129 0.199749 0.563888 La\n0.179129 0.300251 0.436112 La\n0.179426 0.047834 0.875445 Se\n0.679426 0.452166 0.124555 Se\n0.320574 0.547834 0.624555 Se\n0.820574 0.952166 0.375445 Se\n0.593678 0.956202 0.750000 Se\n0.093678 0.543798 0.250000 Se\n0.906322 0.456202 0.750000 Se\n0.406322 0.043798 0.250000 Se\n0.820574 0.952166 0.124555 Se\n0.320574 0.547834 0.875445 Se\n0.679426 0.452166 0.375445 Se\n0.179426 0.047834 0.624555 Se\n0.739425 0.942945 0.845642 O\n0.239425 0.557055 0.154358 O\n0.760575 0.442945 0.654358 O\n0.260575 0.057055 0.345642 O\n0.260575 0.057055 0.154358 O\n0.760575 0.442945 0.845642 O\n0.239425 0.557055 0.345642 O\n0.739425 0.942945 0.654358 O\n0.432390 0.844170 0.250000 O\n0.932390 0.655830 0.750000 O\n0.067610 0.344170 0.250000 O\n0.567610 0.155830 0.750000 O\n0.090971 0.880334 0.922684 O\n0.590971 0.619666 0.077316 O\n0.409029 0.380334 0.577316 O\n0.909029 0.119666 0.422684 O\n0.029433 0.198533 0.596129 O\n0.529433 0.301467 0.403871 O\n0.470567 0.698533 0.903871 O\n0.970567 0.801467 0.096129 O\n0.970567 0.801467 0.403871 O\n0.470567 0.698533 0.596129 O\n0.529433 0.301467 0.096129 O\n0.029433 0.198533 0.903871 O\n0.350070 0.074574 0.539150 O\n0.850070 0.425426 0.460850 O\n0.149930 0.574574 0.960850 O\n0.649930 0.925426 0.039150 O\n0.649930 0.925426 0.460850 O\n0.149930 0.574574 0.539150 O\n0.850070 0.425426 0.039150 O\n0.350070 0.074574 0.960850 O\n0.090971 0.880334 0.577316 O\n0.590971 0.619666 0.422684 O\n0.409029 0.380334 0.922684 O\n0.909029 0.119666 0.077316 O\n",
"nsites": 56,
"nelements": 3,
"elements": [
"La",
"Se",
"O"
],
"chemical_system": "La-O-Se",
"density": 4.925373068848438,
"density_atomic": 0.0630434454306015,
"volume": 888.27632464417,
"volume_molar": 9.552366179969017,
"formula_full": "La8 Se12 O36",
"formula_reduced": "La2(SeO3)3",
"formula_anonymous": "A2B3C9",
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"band_gap": 3.5120000000000005,
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"total_magnetization": 5e-06,
"is_theoretical": false,
"updated_at": "2021-11-28T01:36:22.694000Z",
"spacegroup": 62
}
]
}