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{
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{
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{
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{
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"structure_string": "Mg1 Te4 Pb6 Br4 O12\n1.0\n0.000000 -5.843337 -0.000000\n-8.718721 2.921668 2.389858\n0.371681 -0.000000 -11.357899\nMg Te Pb Br O\n1 4 6 4 12\ndirect\n0.339775 -0.000000 0.500000 Mg\n0.600772 0.195315 0.051503 Te\n0.405456 0.804685 0.948497 Te\n0.849176 0.736634 0.419323 Te\n0.112541 0.263366 0.580677 Te\n0.260593 0.499110 0.207053 Pb\n0.761484 0.500890 0.792947 Pb\n0.031456 0.064515 0.199439 Pb\n0.966941 0.935485 0.800561 Pb\n0.692976 0.349976 0.399210 Pb\n0.343001 0.650024 0.600790 Pb\n0.814393 0.634743 0.105286 Br\n0.179651 0.365257 0.894714 Br\n0.490386 0.914985 0.289712 Br\n0.575402 0.085015 0.710288 Br\n0.860466 0.260102 0.184389 O\n0.397751 0.262581 0.179343 O\n0.135170 0.737419 0.820657 O\n0.600365 0.739898 0.815611 O\n0.718281 -0.000000 0.000000 O\n0.297135 -0.000000 0.000000 O\n0.814163 0.762735 0.591263 O\n0.051429 0.237265 0.408737 O\n0.011903 0.582796 0.390789 O\n0.527824 0.566255 0.387720 O\n0.961569 0.433745 0.612280 O\n0.429107 0.417204 0.609211 O\n",
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"structure_string": "Li12 V6 F24\n1.0\n5.334338 -6.236959 0.000000\n5.334338 6.236959 0.000000\n-1.957972 0.000000 7.970017\nLi V F\n12 6 24\ndirect\n0.719369 0.169501 0.888231 Li\n0.830499 0.111769 0.280631 Li\n0.560690 0.243085 0.472785 Li\n0.111769 0.280631 0.830499 Li\n0.527215 0.439310 0.756915 Li\n0.243085 0.472785 0.560690 Li\n0.756915 0.527215 0.439310 Li\n0.472785 0.560690 0.243085 Li\n0.888231 0.719369 0.169501 Li\n0.439310 0.756915 0.527215 Li\n0.169501 0.888231 0.719369 Li\n0.280631 0.830499 0.111769 Li\n0.180065 0.084972 0.444977 V\n0.444977 0.180065 0.084972 V\n0.915028 0.555023 0.819935 V\n0.084972 0.444977 0.180065 V\n0.555023 0.819935 0.915028 V\n0.819935 0.915028 0.555023 V\n0.706374 0.092928 0.449213 F\n0.666646 0.057292 0.081943 F\n0.918057 0.333354 0.942709 F\n0.057292 0.081943 0.666646 F\n0.550787 0.293626 0.907072 F\n0.323200 0.048302 0.252119 F\n0.711922 0.431016 0.631607 F\n0.368393 0.288078 0.568984 F\n0.568984 0.368393 0.288078 F\n0.048302 0.252119 0.323200 F\n0.092928 0.449213 0.706374 F\n0.252119 0.323200 0.048302 F\n0.747882 0.676800 0.951698 F\n0.907072 0.550787 0.293626 F\n0.951698 0.747881 0.676800 F\n0.431016 0.631607 0.711922 F\n0.631607 0.711922 0.431016 F\n0.288078 0.568984 0.368393 F\n0.676800 0.951698 0.747881 F\n0.449213 0.706374 0.092928 F\n0.942709 0.918057 0.333354 F\n0.081943 0.666646 0.057291 F\n0.333354 0.942709 0.918057 F\n0.293626 0.907072 0.550787 F\n",
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"updated_at": "2021-11-28T01:38:19.461000Z",
"spacegroup": 148
},
{
"id": "mp-1393022",
"created_at": "2022-09-04T14:47:34.200646Z",
"structure_string": "Al2 Cr4 O8\n1.0\n5.202688 -2.982620 0.000000\n5.202688 2.982620 0.000000\n3.492798 0.000000 4.874868\nAl Cr O\n2 4 8\ndirect\n0.623685 0.623685 0.623685 Al\n0.376315 0.376315 0.376315 Al\n0.500000 0.000000 0.000000 Cr\n0.000000 0.000000 0.000000 Cr\n0.000000 0.500000 0.000000 Cr\n0.000000 0.000000 0.500000 Cr\n0.751242 0.245192 0.751242 O\n0.248758 0.248758 0.754808 O\n0.754808 0.248758 0.248758 O\n0.253812 0.253812 0.253812 O\n0.751242 0.751242 0.245192 O\n0.248758 0.754808 0.248758 O\n0.245192 0.751242 0.751242 O\n0.746188 0.746188 0.746188 O\n",
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],
"chemical_system": "Al-Cr-O",
"density": 4.27987714028828,
"density_atomic": 0.09253573339451067,
"volume": 151.29290584766142,
"volume_molar": 6.507908392886031,
"formula_full": "Al2 Cr4 O8",
"formula_reduced": "AlCr2O4",
"formula_anonymous": "AB2C4",
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"updated_at": "2021-11-28T01:38:14.611000Z",
"spacegroup": 166
},
{
"id": "mp-973071",
"created_at": "2022-09-04T14:47:34.451606Z",
"structure_string": "Hg3 As1\n1.0\n-2.106954 2.106954 5.261569\n2.106954 -2.106954 5.261569\n2.106954 2.106954 -5.261569\nHg As\n3 1\ndirect\n0.750000 0.250000 0.500000 Hg\n0.250000 0.750000 0.500000 Hg\n0.500000 0.500000 0.000000 Hg\n0.000000 0.000000 0.000000 As\n",
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"elements": [
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"volume": 93.42978929213297,
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"formula_full": "Hg3 As1",
"formula_reduced": "Hg3As",
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"updated_at": "2021-11-28T01:38:15.507000Z",
"spacegroup": 139
}
]
}