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{
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{
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{
"id": "jvasp-22856",
"created_at": "2022-09-04T14:37:32.173520Z",
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"structure_string": "Be6 Cd8 Si6 Te2 O24\n1.0\n8.659008 -0.000000 -0.000000\n0.000000 8.659008 0.000000\n-0.000000 -0.000000 8.659008\nBe Cd Si Te O\n6 8 6 2 24\ndirect\n0.250000 0.500000 0.000000 Be\n0.500000 0.000000 0.750000 Be\n0.500000 0.000000 0.250000 Be\n0.000000 0.250000 0.500000 Be\n0.000000 0.750000 0.500000 Be\n0.750000 0.500000 0.000000 Be\n0.684066 0.684066 0.684066 Cd\n0.815934 0.184066 0.815934 Cd\n0.184066 0.815934 0.815934 Cd\n0.815934 0.815934 0.184066 Cd\n0.315934 0.315934 0.684066 Cd\n0.315934 0.684066 0.315934 Cd\n0.184066 0.184066 0.184066 Cd\n0.684066 0.315934 0.315934 Cd\n0.000000 0.500000 0.750000 Si\n0.250000 0.000000 0.500000 Si\n0.000000 0.500000 0.250000 Si\n0.500000 0.250000 0.000000 Si\n0.500000 0.750000 0.000000 Si\n0.750000 0.000000 0.500000 Si\n0.000000 0.000000 0.000000 Te\n0.500000 0.500000 0.500000 Te\n0.354126 0.645744 0.063707 O\n0.354256 0.063707 0.645874 O\n0.063707 0.354126 0.645744 O\n0.063707 0.645874 0.354256 O\n0.645744 0.936294 0.645874 O\n0.936294 0.645874 0.645744 O\n0.645744 0.063707 0.354126 O\n0.354256 0.936294 0.354126 O\n0.936294 0.354126 0.354256 O\n0.145744 0.854126 0.563707 O\n0.854256 0.145874 0.563707 O\n0.854126 0.436294 0.854256 O\n0.563707 0.145744 0.854126 O\n0.145874 0.563707 0.854256 O\n0.145874 0.436294 0.145744 O\n0.354126 0.354256 0.936294 O\n0.145744 0.145874 0.436294 O\n0.854256 0.854126 0.436294 O\n0.563707 0.854256 0.145874 O\n0.436294 0.854256 0.854126 O\n0.854126 0.563707 0.145744 O\n0.645874 0.354256 0.063707 O\n0.436294 0.145744 0.145874 O\n0.645874 0.645744 0.936294 O\n",
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{
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{
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{
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"created_at": "2022-09-04T14:37:44.951508Z",
"updated_at": "2022-09-04T14:37:44.951531Z",
"structure_string": "Be8 Mo4\n1.0\n2.225083 -3.853957 -0.000000\n2.225083 3.853957 0.000000\n-0.000000 0.000000 7.311427\nBe Mo\n8 4\ndirect\n0.000000 0.000000 0.000000 Be\n0.000000 0.000000 0.500000 Be\n0.338737 0.169368 0.250000 Be\n0.169368 0.338737 0.750000 Be\n0.169368 0.830631 0.750000 Be\n0.830631 0.169368 0.250000 Be\n0.830631 0.661262 0.250000 Be\n0.661262 0.830631 0.750000 Be\n0.333332 0.666667 0.062336 Mo\n0.666667 0.333332 0.562336 Mo\n0.666667 0.333332 0.937664 Mo\n0.333332 0.666667 0.437664 Mo\n",
"nsites": 12,
"nelements": 2,
"elements": [
"Be",
"Mo"
],
"chemical_system": "Be-Mo",
"density": 6.036607454518217,
"density_atomic": 0.09569649285245936,
"volume": 125.39644497213781,
"volume_molar": 6.292958686881736,
"formula_full": "Be8 Mo4",
"formula_reduced": "Be2Mo",
"formula_anonymous": "AB2",
"energy_above_hull": 2.760546033333333,
"spacegroup": 194
}
]
}