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"results": [
{
"id": "mp-1114007",
"created_at": "2022-09-04T14:42:14.423911Z",
"structure_string": "Rb2 Tl1 Ga1 Br6\n1.0\n0.000000 5.726350 5.726350\n5.726350 0.000000 5.726350\n5.726350 5.726350 0.000000\nRb Tl Ga Br\n2 1 1 6\ndirect\n0.750000 0.750000 0.750000 Rb\n0.250000 0.250000 0.250000 Rb\n0.500000 0.500000 0.500000 Tl\n0.000000 0.000000 0.000000 Ga\n0.774744 0.225256 0.225256 Br\n0.225256 0.225256 0.774744 Br\n0.225256 0.774744 0.774744 Br\n0.225256 0.774744 0.225256 Br\n0.774744 0.225256 0.774744 Br\n0.774744 0.774744 0.225256 Br\n",
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{
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"structure_string": "Rb2 Ag1 Pd1 F6\n1.0\n0.000000 4.421833 4.421833\n4.421833 0.000000 4.421833\n4.421833 4.421833 0.000000\nRb Ag Pd F\n2 1 1 6\ndirect\n0.250000 0.250000 0.250000 Rb\n0.750000 0.750000 0.750000 Rb\n0.500000 0.500000 0.500000 Ag\n0.000000 0.000000 0.000000 Pd\n0.237004 0.237004 0.762996 F\n0.237004 0.762996 0.762996 F\n0.762996 0.762996 0.237004 F\n0.237004 0.762996 0.237004 F\n0.762996 0.237004 0.762996 F\n0.762996 0.237004 0.237004 F\n",
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"volume": 172.91672644377368,
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"formula_full": "Rb2 Ag1 Pd1 F6",
"formula_reduced": "Rb2AgPdF6",
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"energy": -43.16073401,
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"updated_at": "2021-11-28T01:35:44.772000Z",
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{
"id": "mp-1111291",
"created_at": "2022-09-04T14:42:14.753483Z",
"structure_string": "Li3 Al1 F6\n1.0\n0.000000 3.760938 3.760938\n3.760938 0.000000 3.760938\n3.760938 3.760938 0.000000\nLi Al F\n3 1 6\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 Al\n0.240249 0.240249 0.759751 F\n0.240249 0.759751 0.759751 F\n0.759751 0.759751 0.240249 F\n0.240249 0.759751 0.240249 F\n0.759751 0.240249 0.759751 F\n0.759751 0.240249 0.240249 F\n",
"nsites": 10,
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"elements": [
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"chemical_system": "Al-F-Li",
"density": 2.5251987332241743,
"density_atomic": 0.09398996378183125,
"volume": 106.39433826373121,
"volume_molar": 6.407216810912434,
"formula_full": "Li3 Al1 F6",
"formula_reduced": "Li3AlF6",
"formula_anonymous": "AB3C6",
"energy": -54.11027212,
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"energy_uncorrected": -51.33827212,
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"updated_at": "2021-11-28T01:35:39.571000Z",
"spacegroup": 225
},
{
"id": "mp-1029",
"created_at": "2022-09-04T14:42:14.801269Z",
"structure_string": "Ba1 F2\n1.0\n0.000000 3.141540 3.141540\n3.141540 0.000000 3.141540\n3.141540 3.141540 0.000000\nBa F\n1 2\ndirect\n0.000000 0.000000 0.000000 Ba\n0.750000 0.750000 0.750000 F\n0.250000 0.250000 0.250000 F\n",
"nsites": 3,
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"elements": [
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"volume": 62.009435392248534,
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"formula_full": "Ba1 F2",
"formula_reduced": "BaF2",
"formula_anonymous": "AB2",
"energy": -18.23385693,
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"total_magnetization": 2e-07,
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"updated_at": "2021-11-28T01:35:38.626000Z",
"spacegroup": 225
},
{
"id": "mp-1111995",
"created_at": "2022-09-04T14:42:14.508831Z",
"structure_string": "K2 Bi1 Au1 Br6\n1.0\n0.000000 5.673090 5.673090\n5.673090 0.000000 5.673090\n5.673090 5.673090 0.000000\nK Bi Au Br\n2 1 1 6\ndirect\n0.750000 0.750000 0.750000 K\n0.250000 0.250000 0.250000 K\n0.000000 0.000000 0.000000 Bi\n0.500000 0.500000 0.500000 Au\n0.746734 0.253266 0.253266 Br\n0.253266 0.253266 0.746734 Br\n0.253266 0.746734 0.746734 Br\n0.253266 0.746734 0.253266 Br\n0.746734 0.253266 0.746734 Br\n0.746734 0.746734 0.253266 Br\n",
"nsites": 10,
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"elements": [
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],
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"density": 4.381696129380248,
"density_atomic": 0.027384888944714858,
"volume": 365.1648914913693,
"volume_molar": 21.99074377171152,
"formula_full": "K2 Bi1 Au1 Br6",
"formula_reduced": "K2BiAuBr6",
"formula_anonymous": "ABC2D6",
"energy": -31.96022006,
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"updated_at": "2021-11-28T01:35:39.462000Z",
"spacegroup": 225
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{
"id": "mp-862360",
"created_at": "2022-09-04T14:42:14.538083Z",
"structure_string": "Sc2 Ni1 Ir1\n1.0\n0.000000 3.208291 3.208291\n3.208291 0.000000 3.208291\n3.208291 3.208291 0.000000\nSc Ni Ir\n2 1 1\ndirect\n0.250000 0.250000 0.250000 Sc\n0.750000 0.750000 0.750000 Sc\n0.000000 0.000000 0.000000 Ni\n0.500000 0.500000 0.500000 Ir\n",
"nsites": 4,
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"density": 8.568913304241295,
"density_atomic": 0.0605631892082375,
"volume": 66.04672000093318,
"volume_molar": 9.943566114548172,
"formula_full": "Sc2 Ni1 Ir1",
"formula_reduced": "Sc2NiIr",
"formula_anonymous": "ABC2",
"energy": -30.51235024,
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"energy_above_hull": null,
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"updated_at": "2021-11-28T01:35:42.103000Z",
"spacegroup": 225
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{
"id": "mp-1185072",
"created_at": "2022-09-04T14:42:14.762962Z",
"structure_string": "K1 Ba3\n1.0\n0.000000 5.130166 5.130166\n5.130166 0.000000 5.130166\n5.130166 5.130166 0.000000\nK Ba\n1 3\ndirect\n0.000000 0.000000 0.000000 K\n0.250000 0.250000 0.250000 Ba\n0.750000 0.750000 0.750000 Ba\n0.500000 0.500000 0.500000 Ba\n",
"nsites": 4,
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"elements": [
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"chemical_system": "Ba-K",
"density": 2.7738166159402726,
"density_atomic": 0.014812751646454923,
"volume": 270.03760648058284,
"volume_molar": 40.655111917988954,
"formula_full": "K1 Ba3",
"formula_reduced": "KBa3",
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"energy": -6.41921395,
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{
"id": "mp-866064",
"created_at": "2022-09-04T14:42:14.844488Z",
"structure_string": "Nd1 Mg1 Au2\n1.0\n0.000000 3.561557 3.561557\n3.561557 0.000000 3.561557\n3.561557 3.561557 0.000000\nNd Mg Au\n1 1 2\ndirect\n0.000000 0.000000 0.000000 Nd\n0.500000 0.500000 0.500000 Mg\n0.750000 0.750000 0.750000 Au\n0.250000 0.250000 0.250000 Au\n",
"nsites": 4,
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"density": 10.337287509588476,
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"volume": 90.35448056070776,
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"formula_full": "Nd1 Mg1 Au2",
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"updated_at": "2021-11-28T01:35:46.240000Z",
"spacegroup": 225
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{
"id": "mp-977404",
"created_at": "2022-09-04T14:42:14.866064Z",
"structure_string": "Nd2 Ag1 Ir1\n1.0\n0.000000 3.638176 3.638176\n3.638176 0.000000 3.638176\n3.638176 3.638176 0.000000\nNd Ag Ir\n2 1 1\ndirect\n0.750000 0.750000 0.750000 Nd\n0.250000 0.250000 0.250000 Nd\n0.000000 0.000000 0.000000 Ag\n0.500000 0.500000 0.500000 Ir\n",
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"volume": 96.31215702661903,
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"updated_at": "2021-11-28T01:35:39.479000Z",
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{
"id": "mp-18848",
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"structure_string": "Sr2 Mg1 W1 O6\n1.0\n0.000000 4.014636 4.014636\n4.014636 0.000000 4.014636\n4.014636 4.014636 0.000000\nSr Mg W O\n2 1 1 6\ndirect\n0.250000 0.250000 0.250000 Sr\n0.750000 0.750000 0.750000 Sr\n0.500000 0.500000 0.500000 Mg\n0.000000 0.000000 0.000000 W\n0.757321 0.242679 0.757321 O\n0.242679 0.242679 0.757321 O\n0.757321 0.757321 0.242679 O\n0.757321 0.242679 0.242679 O\n0.242679 0.757321 0.242679 O\n0.242679 0.757321 0.757321 O\n",
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{
"id": "mp-1187055",
"created_at": "2022-09-04T14:43:14.399813Z",
"structure_string": "Sn3 Se1\n1.0\n0.000000 3.733138 3.733138\n3.733138 0.000000 3.733138\n3.733138 3.733138 0.000000\nSn Se\n3 1\ndirect\n0.250000 0.250000 0.250000 Sn\n0.750000 0.750000 0.750000 Sn\n0.500000 0.500000 0.500000 Sn\n0.000000 0.000000 0.000000 Se\n",
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{
"id": "mp-866067",
"created_at": "2022-09-04T14:42:14.677879Z",
"structure_string": "Nd2 Cd1 In1\n1.0\n0.000000 3.876970 3.876970\n3.876970 0.000000 3.876970\n3.876970 3.876970 0.000000\nNd Cd In\n2 1 1\ndirect\n0.250000 0.250000 0.250000 Nd\n0.750000 0.750000 0.750000 Nd\n0.500000 0.500000 0.500000 Cd\n0.000000 0.000000 0.000000 In\n",
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"density": 7.347673665646402,
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]
}