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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": "Be12 Pt1\n1.0\n-3.627209 3.627209 2.085485\n3.627209 -3.627209 2.085485\n3.627209 3.627209 -2.085485\nBe Pt\n12 1\ndirect\n0.348302 0.000000 0.348302 Be\n0.500000 0.000000 0.000000 Be\n0.000000 0.348302 0.348302 Be\n0.275190 0.500000 0.775190 Be\n0.651698 0.000000 0.651698 Be\n0.500000 0.500000 0.500000 Be\n0.000000 0.651698 0.651698 Be\n0.500000 0.724810 0.224810 Be\n0.724810 0.500000 0.224810 Be\n0.000000 0.000000 0.500000 Be\n0.500000 0.275190 0.775190 Be\n0.000000 0.500000 0.000000 Be\n0.000000 0.000000 0.000000 Pt\n",
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"elements": [
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],
"chemical_system": "Be-Pt",
"density": 4.587850994706799,
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"formula_full": "Be12 Pt1",
"formula_reduced": "Be12Pt",
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"updated_at": "2021-11-28T01:37:06.487000Z",
"spacegroup": 139
},
{
"id": "mp-6788",
"created_at": "2022-09-04T14:45:21.124146Z",
"structure_string": "La3 Ga5 Sn1 O14\n1.0\n4.176892 -7.234589 0.000000\n4.176892 7.234589 0.000000\n0.000000 0.000000 5.218752\nLa Ga Sn O\n3 5 1 14\ndirect\n0.572540 0.572540 0.000000 La\n0.000000 0.427460 0.000000 La\n0.427460 0.000000 0.000000 La\n0.666667 0.333333 0.530288 Ga\n0.333333 0.666667 0.469712 Ga\n0.245149 0.245149 0.500000 Ga\n0.000000 0.754851 0.500000 Ga\n0.754851 0.000000 0.500000 Ga\n0.000000 0.000000 0.000000 Sn\n0.082236 0.227916 0.758105 O\n0.772084 0.854320 0.758105 O\n0.145680 0.917764 0.758105 O\n0.854320 0.772084 0.241895 O\n0.917764 0.145680 0.241895 O\n0.227916 0.082236 0.241895 O\n0.315684 0.460091 0.302446 O\n0.539909 0.855593 0.302446 O\n0.144407 0.684316 0.302446 O\n0.333333 0.666667 0.819085 O\n0.666667 0.333333 0.180915 O\n0.460091 0.315684 0.697554 O\n0.684316 0.144407 0.697554 O\n0.855593 0.539909 0.697554 O\n",
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"elements": [
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],
"chemical_system": "Ga-La-O-Sn",
"density": 5.833618599596974,
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"volume": 315.4015074476249,
"volume_molar": 8.258227277242547,
"formula_full": "La3 Ga5 Sn1 O14",
"formula_reduced": "La3Ga5SnO14",
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"spacegroup": 150
},
{
"id": "mp-758998",
"created_at": "2022-09-04T14:45:19.075925Z",
"structure_string": "Li4 Fe2 Si8 O22\n1.0\n-5.336438 5.336438 3.874972\n5.336438 -5.336438 3.874972\n5.336438 5.336438 -3.874972\nLi Fe Si O\n4 2 8 22\ndirect\n0.657373 0.622215 0.279588 Li\n0.377785 0.657373 0.035158 Li\n0.622215 0.342627 0.964842 Li\n0.342627 0.377785 0.720412 Li\n0.240847 0.240847 0.000000 Fe\n0.759153 0.759153 0.000000 Fe\n0.500811 0.177656 0.286342 Si\n0.108686 0.785531 0.286342 Si\n0.177656 0.891314 0.676845 Si\n0.785531 0.499189 0.676845 Si\n0.822344 0.108686 0.323155 Si\n0.214469 0.500811 0.323155 Si\n0.499189 0.822344 0.713658 Si\n0.891314 0.214469 0.713658 Si\n0.000000 0.000000 0.000000 O\n0.500000 0.500000 0.000000 O\n0.458395 0.218784 0.110863 O\n0.892078 0.652468 0.110863 O\n0.288223 0.034941 0.323164 O\n0.675924 0.408337 0.459727 O\n0.051390 0.783803 0.459727 O\n0.591663 0.051390 0.267587 O\n0.216197 0.675924 0.267587 O\n0.218784 0.107922 0.760389 O\n0.652468 0.541605 0.760389 O\n0.965059 0.288223 0.253282 O\n0.034941 0.711777 0.746718 O\n0.347532 0.458395 0.239611 O\n0.781216 0.892078 0.239611 O\n0.783803 0.324076 0.732413 O\n0.408337 0.948610 0.732413 O\n0.324076 0.591663 0.540273 O\n0.948610 0.216197 0.540273 O\n0.711777 0.965059 0.676836 O\n0.107922 0.347532 0.889137 O\n0.541605 0.781216 0.889137 O\n",
"nsites": 36,
"nelements": 4,
"elements": [
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"Si",
"O"
],
"chemical_system": "Fe-Li-O-Si",
"density": 2.6940541163482754,
"density_atomic": 0.08155883331163535,
"volume": 441.39915369368293,
"volume_molar": 7.383799541356202,
"formula_full": "Li4 Fe2 Si8 O22",
"formula_reduced": "Li2FeSi4O11",
"formula_anonymous": "AB2C4D11",
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"energy_uncorrected": -256.26622027,
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"updated_at": "2021-11-28T01:36:59.634000Z",
"spacegroup": 87
}
]
}