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{
"id": "mp-13033",
"created_at": "2022-09-04T14:46:21.510091Z",
"structure_string": "Mg1 Te1\n1.0\n0.000000 3.256306 3.256306\n3.256306 0.000000 3.256306\n3.256306 3.256306 0.000000\nMg Te\n1 1\ndirect\n0.000000 0.000000 0.000000 Mg\n0.750000 0.750000 0.750000 Te\n",
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{
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"structure_string": "Li3 Yb1\n1.0\n0.000000 3.763214 3.763214\n3.763214 0.000000 3.763214\n3.763214 3.763214 0.000000\nLi Yb\n3 1\ndirect\n0.250000 0.250000 0.250000 Li\n0.750000 0.750000 0.750000 Li\n0.500000 0.500000 0.500000 Li\n0.000000 0.000000 0.000000 Yb\n",
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{
"id": "mp-1097579",
"created_at": "2022-09-04T14:44:57.261563Z",
"structure_string": "Li1 Al1 Ga2\n1.0\n-5.173162 5.225143 7.382742\n5.173162 -5.225143 7.382742\n5.173162 5.225143 -7.382742\nLi Al Ga\n1 1 2\ndirect\n0.000000 0.000000 0.000000 Li\n0.000000 0.500000 0.500000 Al\n0.000000 0.256517 0.256517 Ga\n0.000000 0.743483 0.743483 Ga\n",
"nsites": 4,
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"elements": [
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"chemical_system": "Al-Ga-Li",
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"volume": 798.2371616301155,
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"formula_full": "Li1 Al1 Ga2",
"formula_reduced": "LiAlGa2",
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"updated_at": "2021-11-28T01:36:43.249000Z",
"spacegroup": 71
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{
"id": "mp-1223633",
"created_at": "2022-09-04T14:42:44.740586Z",
"structure_string": "In1 Sb1\n1.0\n3.076656 0.000000 0.000000\n0.000000 3.076656 0.000000\n0.000000 0.000000 6.215470\nIn Sb\n1 1\ndirect\n0.000000 0.000000 0.000000 In\n0.000000 0.000000 0.500000 Sb\n",
"nsites": 2,
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"elements": [
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"chemical_system": "In-Sb",
"density": 6.677157149110249,
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"volume": 58.83447139632513,
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"formula_full": "In1 Sb1",
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"updated_at": "2021-11-28T01:35:59.489000Z",
"spacegroup": 123
},
{
"id": "mp-1097111",
"created_at": "2022-09-04T14:46:05.077376Z",
"structure_string": "Na1 Y1 Tl2\n1.0\n-6.250238 6.610890 9.348702\n6.250238 -6.610890 9.348702\n6.250238 6.610890 -9.348702\nNa Y Tl\n1 1 2\ndirect\n0.000000 0.000000 0.000000 Na\n0.000000 0.500000 0.500000 Y\n0.000000 0.251198 0.251198 Tl\n0.000000 0.748802 0.748802 Tl\n",
"nsites": 4,
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"elements": [
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"density": 0.5595480274273745,
"density_atomic": 0.002588762433327504,
"volume": 1545.1398508045177,
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"formula_full": "Na1 Y1 Tl2",
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"updated_at": "2021-11-28T01:37:20.022000Z",
"spacegroup": 71
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{
"id": "mp-864762",
"created_at": "2022-09-04T14:40:29.389552Z",
"structure_string": "Li1 Mg2 Zn1\n1.0\n0.000000 3.314854 3.314854\n3.314854 0.000000 3.314854\n3.314854 3.314854 0.000000\nLi Mg Zn\n1 2 1\ndirect\n0.500000 0.500000 0.500000 Li\n0.250000 0.250000 0.250000 Mg\n0.750000 0.750000 0.750000 Mg\n0.000000 0.000000 0.000000 Zn\n",
"nsites": 4,
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"elements": [
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"density": 2.7571961595064627,
"density_atomic": 0.05490814610190937,
"volume": 72.84893561286901,
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"formula_full": "Li1 Mg2 Zn1",
"formula_reduced": "LiMg2Zn",
"formula_anonymous": "ABC2",
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"updated_at": "2021-11-28T01:34:50.454000Z",
"spacegroup": 225
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{
"id": "mp-867201",
"created_at": "2022-09-04T14:41:22.346113Z",
"structure_string": "Ca1 In1 Hg2\n1.0\n0.000000 3.711863 3.711863\n3.711863 0.000000 3.711863\n3.711863 3.711863 0.000000\nCa In Hg\n1 1 2\ndirect\n0.000000 0.000000 0.000000 Ca\n0.500000 0.500000 0.500000 In\n0.750000 0.750000 0.750000 Hg\n0.250000 0.250000 0.250000 Hg\n",
"nsites": 4,
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"elements": [
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"Hg"
],
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"density": 9.027706629646698,
"density_atomic": 0.03910697104892523,
"volume": 102.28355438205003,
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"formula_full": "Ca1 In1 Hg2",
"formula_reduced": "CaInHg2",
"formula_anonymous": "ABC2",
"energy": -6.92030025,
"energy_per_atom": -1.7300750625,
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"updated_at": "2021-11-28T01:35:18.603000Z",
"spacegroup": 225
},
{
"id": "mp-1185172",
"created_at": "2022-09-04T14:48:16.482483Z",
"structure_string": "K3 Th1\n1.0\n-2.813194 2.813194 6.653521\n2.813194 -2.813194 6.653521\n2.813194 2.813194 -6.653521\nK Th\n3 1\ndirect\n0.750000 0.250000 0.500000 K\n0.250000 0.750000 0.500000 K\n0.500000 0.500000 0.000000 K\n0.000000 0.000000 0.000000 Th\n",
"nsites": 4,
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"elements": [
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"chemical_system": "K-Th",
"density": 2.754087746942625,
"density_atomic": 0.01899105550556849,
"volume": 210.625470439341,
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"formula_full": "K3 Th1",
"formula_reduced": "K3Th",
"formula_anonymous": "AB3",
"energy": -6.92214743,
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"spacegroup": 139
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{
"id": "mp-1696",
"created_at": "2022-09-04T14:42:20.846953Z",
"structure_string": "Cd1 Pd1\n1.0\n3.060705 0.000000 0.000000\n0.000000 3.060705 0.000000\n0.000000 0.000000 3.763233\nCd Pd\n1 1\ndirect\n0.000000 0.000000 0.000000 Cd\n0.500000 0.500000 0.500000 Pd\n",
"nsites": 2,
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"elements": [
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"density": 10.307512923921333,
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"volume": 35.25364723432268,
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"formula_full": "Cd1 Pd1",
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"updated_at": "2021-11-28T01:35:50.020000Z",
"spacegroup": 123
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{
"id": "mp-1093735",
"created_at": "2022-09-04T14:43:14.725605Z",
"structure_string": "Ca1 Y1 Tl2\n1.0\n-6.140973 6.742133 9.532346\n6.140973 -6.742133 9.532346\n6.140973 6.742133 -9.532346\nCa Y Tl\n1 1 2\ndirect\n0.000000 0.000000 0.000000 Ca\n0.000000 0.500000 0.500000 Y\n0.000000 0.255467 0.255467 Tl\n0.000000 0.744533 0.744533 Tl\n",
"nsites": 4,
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"volume": 1578.6806741524083,
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"formula_full": "Ca1 Y1 Tl2",
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{
"id": "mp-1094922",
"created_at": "2022-09-04T14:44:22.558716Z",
"structure_string": "Ca1 Mg3\n1.0\n4.761642 0.000000 0.000000\n0.000000 4.761642 0.000000\n0.000000 0.000000 4.761642\nCa Mg\n1 3\ndirect\n0.000000 0.000000 0.000000 Ca\n0.500000 0.500000 0.000000 Mg\n0.500000 0.000000 0.500000 Mg\n0.000000 0.500000 0.500000 Mg\n",
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{
"id": "mp-1039217",
"created_at": "2022-09-04T14:43:56.365586Z",
"structure_string": "Mg2 Cd4\n1.0\n1.576268 -2.730176 0.000000\n1.576268 2.730176 0.000000\n0.000000 0.000000 15.673068\nMg Cd\n2 4\ndirect\n0.333333 0.666667 0.750000 Mg\n0.666667 0.333333 0.250000 Mg\n0.666667 0.333333 0.915215 Cd\n0.666667 0.333333 0.584785 Cd\n0.333333 0.666667 0.415215 Cd\n0.333333 0.666667 0.084785 Cd\n",
"nsites": 6,
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"formula_full": "Mg2 Cd4",
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]
}