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"results": [
{
"id": "mp-1197258",
"created_at": "2022-09-04T14:43:15.557854Z",
"structure_string": "Rb21 Tl7 Br42 O8\n1.0\n-8.566037 8.566037 10.291218\n8.566037 -8.566037 10.291218\n8.566037 8.566037 -10.291218\nRb Tl Br O\n21 7 42 8\ndirect\n0.500000 0.500000 0.000000 Rb\n0.205796 0.205796 0.411592 Rb\n0.794204 0.794204 0.588408 Rb\n0.205796 0.794204 0.000000 Rb\n0.794204 0.205796 0.000000 Rb\n0.866695 0.155187 0.288492 Rb\n0.866695 0.578203 0.711508 Rb\n0.155187 0.866695 0.288492 Rb\n0.578203 0.866695 0.711508 Rb\n0.133305 0.844813 0.711508 Rb\n0.133305 0.421797 0.288492 Rb\n0.844813 0.133305 0.711508 Rb\n0.421797 0.133305 0.288492 Rb\n0.631877 0.922678 0.290801 Rb\n0.631877 0.341076 0.709199 Rb\n0.922678 0.631877 0.290801 Rb\n0.341076 0.631877 0.709199 Rb\n0.368123 0.077322 0.709199 Rb\n0.368123 0.658924 0.290801 Rb\n0.077322 0.368123 0.709199 Rb\n0.658924 0.368123 0.290801 Rb\n0.000000 0.000000 0.000000 Tl\n0.000000 0.500000 0.500000 Tl\n0.500000 0.000000 0.500000 Tl\n0.000000 0.000000 0.500000 Tl\n0.500000 0.500000 0.500000 Tl\n0.000000 0.500000 0.000000 Tl\n0.500000 0.000000 0.000000 Tl\n0.873701 0.873701 0.000000 Br\n0.126299 0.126299 0.000000 Br\n0.172892 0.000000 0.172892 Br\n0.827108 0.000000 0.827108 Br\n0.000000 0.827108 0.827108 Br\n0.000000 0.172892 0.172892 Br\n0.868132 0.368132 0.500000 Br\n0.368132 0.868132 0.500000 Br\n0.131868 0.631868 0.500000 Br\n0.631868 0.131868 0.500000 Br\n0.385977 0.120619 0.506596 Br\n0.614023 0.879381 0.493404 Br\n0.385977 0.879381 0.265357 Br\n0.614023 0.120619 0.734643 Br\n0.120619 0.614023 0.734643 Br\n0.879381 0.385977 0.265357 Br\n0.120619 0.385977 0.506596 Br\n0.879381 0.614023 0.493404 Br\n0.804311 0.469708 0.000000 Br\n0.469708 0.804311 0.000000 Br\n0.804311 0.804311 0.334602 Br\n0.469708 0.469708 0.665398 Br\n0.195689 0.530292 0.000000 Br\n0.530292 0.195689 0.000000 Br\n0.195689 0.195689 0.665398 Br\n0.530292 0.530292 0.334602 Br\n0.997766 0.670127 0.000000 Br\n0.670127 0.997766 0.000000 Br\n0.997766 0.997766 0.327639 Br\n0.670127 0.670127 0.672361 Br\n0.002234 0.329873 0.000000 Br\n0.329873 0.002234 0.000000 Br\n0.002234 0.002234 0.672361 Br\n0.329873 0.329873 0.327639 Br\n0.115940 0.615940 0.231879 Br\n0.384060 0.884060 0.768121 Br\n0.115940 0.884060 0.500000 Br\n0.384060 0.615940 0.500000 Br\n0.615940 0.384060 0.500000 Br\n0.884060 0.115940 0.500000 Br\n0.615940 0.115940 0.231879 Br\n0.884060 0.384060 0.768121 Br\n0.603749 0.732223 0.128474 O\n0.603749 0.475275 0.871526 O\n0.732223 0.603749 0.128474 O\n0.475275 0.603749 0.871526 O\n0.396251 0.267777 0.871526 O\n0.396251 0.524725 0.128474 O\n0.267777 0.396251 0.871526 O\n0.524725 0.396251 0.128474 O\n",
"nsites": 78,
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"elements": [
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],
"chemical_system": "Br-O-Rb-Tl",
"density": 3.688507391424527,
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"volume": 3020.55439637651,
"volume_molar": 23.320774036174583,
"formula_full": "Rb21 Tl7 Br42 O8",
"formula_reduced": "Rb21Tl7(Br21O4)2",
"formula_anonymous": "A7B8C21D42",
"energy": -220.09595121,
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"updated_at": "2021-11-28T01:36:06.624000Z",
"spacegroup": 139
},
{
"id": "mp-1227390",
"created_at": "2022-09-04T14:46:05.453245Z",
"structure_string": "Ba1 Tl1 In3\n1.0\n5.132796 0.000000 0.000000\n0.000000 5.132796 0.000000\n2.566399 2.566399 6.152107\nBa Tl In\n1 1 3\ndirect\n0.000000 0.000000 0.000000 Ba\n0.750000 0.250000 0.500000 Tl\n0.382716 0.382716 0.234568 In\n0.617284 0.617284 0.765432 In\n0.250000 0.750000 0.500000 In\n",
"nsites": 5,
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"volume": 162.08091805053485,
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"formula_full": "Ba1 Tl1 In3",
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"formula_anonymous": "ABC3",
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"spacegroup": 119
},
{
"id": "mp-651768",
"created_at": "2022-09-04T14:46:11.004340Z",
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{
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"structure_string": "Mg12 V2 Sb2\n1.0\n5.025329 0.000000 0.000000\n0.000000 6.420793 0.000000\n0.000000 0.000000 10.703120\nMg V Sb\n12 2 2\ndirect\n0.000000 0.245141 0.081394 Mg\n0.000000 0.754859 0.081394 Mg\n0.000000 0.500000 0.834829 Mg\n0.500000 0.245888 0.914349 Mg\n0.500000 0.754112 0.914349 Mg\n0.500000 0.500000 0.667864 Mg\n0.000000 0.745141 0.581394 Mg\n0.000000 0.254859 0.581394 Mg\n0.000000 0.000000 0.334829 Mg\n0.500000 0.745888 0.414349 Mg\n0.500000 0.254112 0.414349 Mg\n0.500000 0.000000 0.167864 Mg\n0.000000 0.500000 0.331626 V\n0.000000 0.000000 0.831626 V\n0.500000 0.500000 0.174197 Sb\n0.500000 0.000000 0.674197 Sb\n",
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{
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{
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{
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"structure_string": "Rb8 Te4\n1.0\n5.623222 0.000000 0.000000\n0.000000 9.227487 0.000000\n0.000000 0.000000 11.097540\nRb Te\n8 4\ndirect\n0.750000 0.474318 0.329146 Rb\n0.250000 0.525682 0.670854 Rb\n0.750000 0.974318 0.170854 Rb\n0.250000 0.025682 0.829146 Rb\n0.750000 0.353691 0.927975 Rb\n0.250000 0.646309 0.072025 Rb\n0.750000 0.853691 0.572025 Rb\n0.250000 0.146309 0.427975 Rb\n0.750000 0.250617 0.614725 Te\n0.250000 0.749383 0.385275 Te\n0.750000 0.750617 0.885275 Te\n0.250000 0.249383 0.114725 Te\n",
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{
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{
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{
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"structure_string": "Mg12 Nb2 Al2\n1.0\n4.990763 0.000000 0.000000\n0.000000 5.978290 0.000000\n0.000000 0.000000 10.959219\nMg Nb Al\n12 2 2\ndirect\n0.500000 0.251210 0.419359 Mg\n0.500000 0.748790 0.419359 Mg\n0.000000 0.743068 0.084704 Mg\n0.000000 0.256932 0.084704 Mg\n0.000000 0.000000 0.328863 Mg\n0.000000 0.500000 0.325071 Mg\n0.500000 0.751210 0.919359 Mg\n0.500000 0.248790 0.919359 Mg\n0.000000 0.243068 0.584704 Mg\n0.000000 0.756932 0.584704 Mg\n0.000000 0.500000 0.828863 Mg\n0.000000 0.000000 0.825071 Mg\n0.500000 0.500000 0.171174 Nb\n0.500000 0.000000 0.671174 Nb\n0.500000 0.000000 0.166762 Al\n0.500000 0.500000 0.666762 Al\n",
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{
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"structure_string": "La2 Mg12 Mn2\n1.0\n5.176636 0.000000 0.000000\n0.000000 6.516088 0.000000\n0.000000 0.000000 11.524404\nLa Mg Mn\n2 12 2\ndirect\n0.500000 0.500000 0.166979 La\n0.500000 0.000000 0.666979 La\n0.500000 0.255317 0.418584 Mg\n0.500000 0.744683 0.418584 Mg\n0.000000 0.765100 0.083346 Mg\n0.000000 0.234900 0.083346 Mg\n0.000000 0.000000 0.328035 Mg\n0.000000 0.500000 0.338699 Mg\n0.500000 0.755317 0.918584 Mg\n0.500000 0.244683 0.918584 Mg\n0.000000 0.265100 0.583346 Mg\n0.000000 0.734900 0.583346 Mg\n0.000000 0.500000 0.828035 Mg\n0.000000 0.000000 0.838699 Mg\n0.500000 0.000000 0.162422 Mn\n0.500000 0.500000 0.662422 Mn\n",
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"structure_string": "Sr6 P2\n1.0\n3.767061 -6.524740 0.000000\n3.767061 6.524740 0.000000\n0.000000 0.000000 5.480464\nSr P\n6 2\ndirect\n0.179300 0.358601 0.250000 Sr\n0.641399 0.820700 0.250000 Sr\n0.179300 0.820700 0.250000 Sr\n0.820700 0.641399 0.750000 Sr\n0.358601 0.179300 0.750000 Sr\n0.820700 0.179300 0.750000 Sr\n0.333333 0.666667 0.750000 P\n0.666667 0.333333 0.250000 P\n",
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}