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{
"id": "mp-1207339",
"created_at": "2022-09-04T14:43:57.577920Z",
"structure_string": "Lu2 Cu1 Sb3\n1.0\n10.221528 0.000000 0.000000\n0.000000 10.221528 0.000000\n0.000000 0.000000 40.407838\nLu Cu Sb\n2 1 3\ndirect\n0.500000 0.500000 0.243891 Lu\n0.500000 0.500000 0.756109 Lu\n0.500000 0.500000 0.500000 Cu\n0.500000 0.500000 0.691925 Sb\n0.500000 0.500000 0.308075 Sb\n0.500000 0.500000 0.000000 Sb\n",
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{
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"structure_string": "Mg1 Br6\n1.0\n5.533107 -8.439012 0.000000\n5.533107 8.439012 0.000000\n0.000000 0.000000 52.555475\nMg Br\n1 6\ndirect\n0.000000 0.000000 0.000000 Mg\n0.000000 0.000000 0.249998 Br\n0.000000 0.000000 0.750002 Br\n0.253143 0.010350 0.000000 Br\n0.746857 0.989650 0.000000 Br\n0.010350 0.253143 0.000000 Br\n0.989650 0.746857 0.000000 Br\n",
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{
"id": "mp-1206317",
"created_at": "2022-09-04T14:41:25.024245Z",
"structure_string": "La2 Cd1 Sb3\n1.0\n9.870107 0.000000 0.000000\n0.000000 9.870107 0.000000\n0.000000 0.000000 42.535734\nLa Cd Sb\n2 1 3\ndirect\n0.500000 0.500000 0.243978 La\n0.500000 0.500000 0.756022 La\n0.500000 0.500000 0.500000 Cd\n0.500000 0.500000 0.691877 Sb\n0.500000 0.500000 0.308123 Sb\n0.500000 0.500000 0.000000 Sb\n",
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"elements": [
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"volume": 4143.789189118232,
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"formula_full": "La2 Cd1 Sb3",
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"spacegroup": 123
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{
"id": "mp-1206225",
"created_at": "2022-09-04T14:47:37.102866Z",
"structure_string": "Tb2 Te3\n1.0\n9.816850 0.000000 0.000000\n0.000000 9.816850 0.000000\n0.000000 0.000000 35.751802\nTb Te\n2 3\ndirect\n0.500000 0.500000 0.284070 Tb\n0.500000 0.500000 0.715930 Tb\n0.500000 0.500000 0.642031 Te\n0.500000 0.500000 0.357969 Te\n0.500000 0.500000 0.000000 Te\n",
"nsites": 5,
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"elements": [
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"density": 0.3376823885360381,
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"volume": 3445.4206049495233,
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"formula_full": "Tb2 Te3",
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},
{
"id": "mp-1097376",
"created_at": "2022-09-04T14:39:17.349016Z",
"structure_string": "Ba2 Sr1 Ca1\n1.0\n-7.829504 7.976100 10.955554\n7.829504 -7.976100 10.955554\n7.829504 7.976100 -10.955554\nBa Sr Ca\n2 1 1\ndirect\n0.248774 0.000000 0.248774 Ba\n0.751226 0.000000 0.751226 Ba\n0.500000 0.000000 0.500000 Sr\n0.000000 0.000000 0.000000 Ca\n",
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"energy": -1.36926461,
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{
"id": "mp-1097089",
"created_at": "2022-09-04T14:44:19.043024Z",
"structure_string": "Cs1 Rb1 Na2\n1.0\n-7.672120 8.188441 10.868048\n7.672120 -8.188441 10.868048\n7.672120 8.188441 -10.868048\nCs Rb Na\n1 1 2\ndirect\n0.500000 0.000000 0.500000 Cs\n0.000000 0.000000 0.000000 Rb\n0.753124 0.000000 0.753124 Na\n0.246876 0.000000 0.246876 Na\n",
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"volume": 2731.0405617777787,
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"formula_full": "Cs1 Rb1 Na2",
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"spacegroup": 71
},
{
"id": "mp-1206726",
"created_at": "2022-09-04T14:42:01.320940Z",
"structure_string": "Tb2 Ag1 Sb3\n1.0\n10.262590 0.000000 0.000000\n0.000000 10.262590 0.000000\n0.000000 0.000000 38.551178\nTb Ag Sb\n2 1 3\ndirect\n0.500000 0.500000 0.241815 Tb\n0.500000 0.500000 0.758185 Tb\n0.500000 0.500000 0.500000 Ag\n0.500000 0.500000 0.689723 Sb\n0.500000 0.500000 0.310277 Sb\n0.500000 0.500000 0.000000 Sb\n",
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{
"id": "mp-1207366",
"created_at": "2022-09-04T14:41:17.060723Z",
"structure_string": "Tb2 Sb3 Pd1\n1.0\n10.272873 0.000000 0.000000\n0.000000 10.272873 0.000000\n0.000000 0.000000 38.469568\nTb Sb Pd\n2 3 1\ndirect\n0.500000 0.500000 0.241620 Tb\n0.500000 0.500000 0.758380 Tb\n0.500000 0.500000 0.689606 Sb\n0.500000 0.500000 0.310394 Sb\n0.500000 0.500000 0.000000 Sb\n0.500000 0.500000 0.500000 Pd\n",
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"volume": 4059.7673600744442,
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"formula_full": "Tb2 Sb3 Pd1",
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{
"id": "mp-1096484",
"created_at": "2022-09-04T14:47:18.404151Z",
"structure_string": "Cs1 K2 As1\n1.0\n-7.761391 7.775878 11.179772\n7.761391 -7.775878 11.179772\n7.761391 7.775878 -11.179772\nCs K As\n1 2 1\ndirect\n0.000000 0.500000 0.500000 Cs\n0.000000 0.201409 0.201409 K\n0.000000 0.798591 0.798591 K\n0.000000 0.000000 0.000000 As\n",
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"updated_at": "2021-11-28T01:37:59.349000Z",
"spacegroup": 71
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{
"id": "mp-1096405",
"created_at": "2022-09-04T14:46:33.921761Z",
"structure_string": "Ba1 Sr2 Ca1\n1.0\n-7.789858 7.804859 11.027813\n7.789858 -7.804859 11.027813\n7.789858 7.804859 -11.027813\nBa Sr Ca\n1 2 1\ndirect\n0.500000 0.000000 0.500000 Ba\n0.741732 0.000000 0.741732 Sr\n0.258268 0.000000 0.258268 Sr\n0.000000 0.000000 0.000000 Ca\n",
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{
"id": "mp-1206226",
"created_at": "2022-09-04T14:40:16.713893Z",
"structure_string": "Ag1 Bi3 Te6\n1.0\n-5.906626 -10.230575 0.000000\n-5.481141 9.984922 0.000000\n0.000000 0.000000 -58.248389\nAg Bi Te\n1 3 6\ndirect\n0.000000 -0.000000 0.000000 Ag\n0.000000 -0.000000 0.500000 Bi\n0.500000 0.500000 0.000000 Bi\n0.000000 0.500000 0.000000 Bi\n0.000000 -0.000000 0.768996 Te\n0.000000 -0.000000 0.231004 Te\n0.752544 0.752340 -0.000000 Te\n0.247456 0.247660 0.000000 Te\n0.000204 0.247660 -0.000000 Te\n0.999796 0.752340 0.000000 Te\n",
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"formula_full": "Ag1 Bi3 Te6",
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"updated_at": "2021-11-28T01:34:52.207000Z",
"spacegroup": 65
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{
"id": "mp-1207306",
"created_at": "2022-09-04T14:45:43.360242Z",
"structure_string": "Y2 Te3\n1.0\n9.695307 0.000000 0.000000\n0.000000 9.695307 0.000000\n0.000000 0.000000 35.546450\nY Te\n2 3\ndirect\n0.500000 0.500000 0.284118 Y\n0.500000 0.500000 0.715882 Y\n0.500000 0.500000 0.641973 Te\n0.500000 0.500000 0.358027 Te\n0.500000 0.500000 0.000000 Te\n",
"nsites": 5,
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"volume": 3341.329965280776,
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"formula_full": "Y2 Te3",
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"formula_anonymous": "A2B3",
"energy": -16.709909160000002,
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"updated_at": "2021-11-28T01:37:13.322000Z",
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}
]
}