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{
"id": "mp-1096362",
"created_at": "2022-09-04T14:44:15.486089Z",
"structure_string": "Sr2 Hg1 Bi1\n1.0\n-6.507911 6.826426 9.615261\n6.507911 -6.826426 9.615261\n6.507911 6.826426 -9.615261\nSr Hg Bi\n2 1 1\ndirect\n0.000000 0.269462 0.269462 Sr\n0.000000 0.730538 0.730538 Sr\n0.000000 0.000000 0.000000 Hg\n0.000000 0.500000 0.500000 Bi\n",
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{
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"density": 0.5684458131371376,
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"spacegroup": 71
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{
"id": "mp-1212026",
"created_at": "2022-09-04T14:42:41.473817Z",
"structure_string": "La2 Ag1 Sb3\n1.0\n7.976910 0.000000 0.000000\n0.000000 7.976910 0.000000\n0.000000 0.000000 34.444679\nLa Ag Sb\n2 1 3\ndirect\n0.500000 0.500000 0.238723 La\n0.500000 0.500000 0.761277 La\n0.500000 0.500000 0.000000 Ag\n0.500000 0.500000 0.500000 Sb\n0.500000 0.500000 0.682120 Sb\n0.500000 0.500000 0.317880 Sb\n",
"nsites": 6,
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"elements": [
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"chemical_system": "Ag-La-Sb",
"density": 0.568949708083409,
"density_atomic": 0.0027375352767847684,
"volume": 2191.752577905404,
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"formula_full": "La2 Ag1 Sb3",
"formula_reduced": "La2AgSb3",
"formula_anonymous": "AB2C3",
"energy": -12.94370649,
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"updated_at": "2021-11-28T01:35:51.846000Z",
"spacegroup": 123
},
{
"id": "mp-1093883",
"created_at": "2022-09-04T14:40:25.146968Z",
"structure_string": "Mn2 Ga1 Mo1\n1.0\n-5.165594 5.290259 7.355933\n5.165594 -5.290259 7.355933\n5.165594 5.290259 -7.355933\nMn Ga Mo\n2 1 1\ndirect\n0.229129 0.000000 0.229129 Mn\n0.770871 0.000000 0.770871 Mn\n0.000000 0.000000 0.000000 Ga\n0.500000 0.000000 0.500000 Mo\n",
"nsites": 4,
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"elements": [
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],
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"density": 0.5690328743817424,
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"volume": 804.0720385751647,
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"formula_full": "Mn2 Ga1 Mo1",
"formula_reduced": "Mn2GaMo",
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"energy": -19.93683025,
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"energy_uncorrected": -19.93683025,
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"updated_at": "2021-11-28T01:34:50.897000Z",
"spacegroup": 71
},
{
"id": "mp-1097247",
"created_at": "2022-09-04T14:45:57.024629Z",
"structure_string": "K1 Rb1 Au2\n1.0\n-6.301003 6.510713 9.215288\n6.301003 -6.510713 9.215288\n6.301003 6.510713 -9.215288\nK Rb Au\n1 1 2\ndirect\n0.000000 0.000000 0.000000 K\n0.000000 0.500000 0.500000 Rb\n0.000000 0.244555 0.244555 Au\n0.000000 0.755445 0.755445 Au\n",
"nsites": 4,
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"elements": [
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"density": 0.5693640973295062,
"density_atomic": 0.002645165498965338,
"volume": 1512.1927159433346,
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"formula_full": "K1 Rb1 Au2",
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"energy_uncorrected": -8.05072218,
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"updated_at": "2021-11-28T01:37:13.079000Z",
"spacegroup": 71
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{
"id": "mp-1096036",
"created_at": "2022-09-04T14:40:26.113617Z",
"structure_string": "Sc1 Ga1 Ag2\n1.0\n-5.438354 5.829038 7.598236\n5.438354 -5.829038 7.598236\n5.438354 5.829038 -7.598236\nSc Ga Ag\n1 1 2\ndirect\n0.000000 0.000000 0.000000 Sc\n0.000000 0.500000 0.500000 Ga\n0.000000 0.259169 0.259169 Ag\n0.000000 0.740831 0.740831 Ag\n",
"nsites": 4,
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"elements": [
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"Ga",
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"chemical_system": "Ag-Ga-Sc",
"density": 0.5694716812507751,
"density_atomic": 0.004151670337252604,
"volume": 963.4676347272377,
"volume_molar": 145.05344285079224,
"formula_full": "Sc1 Ga1 Ag2",
"formula_reduced": "ScGaAg2",
"formula_anonymous": "ABC2",
"energy": -8.68122682,
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"formation_energy": null,
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"energy_uncorrected": -8.68122682,
"band_gap": 0.0,
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"is_theoretical": true,
"updated_at": "2021-11-28T01:35:04.284000Z",
"spacegroup": 71
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{
"id": "mp-1097302",
"created_at": "2022-09-04T14:46:19.010164Z",
"structure_string": "Ti2 Nb1 Rh1\n1.0\n-4.436031 5.782134 8.284977\n4.436031 -5.782134 8.284977\n4.436031 5.782134 -8.284977\nTi Nb Rh\n2 1 1\ndirect\n0.000000 0.249336 0.249336 Ti\n0.000000 0.750664 0.750664 Ti\n0.000000 0.000000 0.000000 Nb\n0.000000 0.500000 0.500000 Rh\n",
"nsites": 4,
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"elements": [
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"Nb",
"Rh"
],
"chemical_system": "Nb-Rh-Ti",
"density": 0.5695370520393336,
"density_atomic": 0.004705718765913054,
"volume": 850.0295489341419,
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"formula_full": "Ti2 Nb1 Rh1",
"formula_reduced": "Ti2NbRh",
"formula_anonymous": "ABC2",
"energy": -20.57804139,
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"energy_above_hull": null,
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"updated_at": "2021-11-28T01:37:19.240000Z",
"spacegroup": 71
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{
"id": "mp-1096334",
"created_at": "2022-09-04T14:39:07.934947Z",
"structure_string": "Ti2 Ag1 Mo1\n1.0\n-4.982151 5.556345 7.886109\n4.982151 -5.556345 7.886109\n4.982151 5.556345 -7.886109\nTi Ag Mo\n2 1 1\ndirect\n0.000000 0.221649 0.221649 Ti\n0.000000 0.778351 0.778351 Ti\n0.000000 0.500000 0.500000 Ag\n0.000000 0.000000 0.000000 Mo\n",
"nsites": 4,
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"density": 0.5696108536329587,
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"volume": 873.2304204228208,
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"formula_full": "Ti2 Ag1 Mo1",
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"updated_at": "2021-11-28T01:34:40.740000Z",
"spacegroup": 71
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{
"id": "mp-1097336",
"created_at": "2022-09-04T14:45:27.889433Z",
"structure_string": "V1 Cr2 Re1\n1.0\n-5.072761 5.840876 8.388215\n5.072761 -5.840876 8.388215\n5.072761 5.840876 -8.388215\nV Cr Re\n1 2 1\ndirect\n0.000000 0.000000 0.000000 V\n0.000000 0.275233 0.275233 Cr\n0.000000 0.724767 0.724767 Cr\n0.000000 0.500000 0.500000 Re\n",
"nsites": 4,
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"elements": [
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"Cr",
"Re"
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"density": 0.5698108325996025,
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"volume": 994.1500356756567,
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"formula_full": "V1 Cr2 Re1",
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"updated_at": "2021-11-28T01:37:01.619000Z",
"spacegroup": 71
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{
"id": "mp-1096150",
"created_at": "2022-09-04T14:42:44.574504Z",
"structure_string": "Sc1 Be2 Pt1\n1.0\n-4.677398 5.605407 7.166901\n4.677398 -5.605407 7.166901\n4.677398 5.605407 -7.166901\nSc Be Pt\n1 2 1\ndirect\n0.000000 0.000000 0.000000 Sc\n0.000000 0.278355 0.278355 Be\n0.000000 0.721645 0.721645 Be\n0.000000 0.500000 0.500000 Pt\n",
"nsites": 4,
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"volume": 751.6278677546682,
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"updated_at": "2021-11-28T01:35:58.464000Z",
"spacegroup": 71
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{
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"created_at": "2022-09-04T14:45:54.823058Z",
"structure_string": "Li12\n1.0\n8.046617 2.787678 0.000000\n-8.046617 2.787678 0.000000\n0.000000 0.000000 5.406859\nLi\n12\ndirect\n0.755953 0.755953 0.597809 Li\n0.244047 0.244047 0.402191 Li\n0.744047 0.744047 0.097809 Li\n0.255953 0.255953 0.902191 Li\n0.781959 0.454821 0.753871 Li\n0.545179 0.218041 0.246129 Li\n0.045179 0.718041 0.253871 Li\n0.281959 0.954821 0.746129 Li\n0.218041 0.545179 0.246129 Li\n0.454821 0.781959 0.753871 Li\n0.954821 0.281959 0.746129 Li\n0.718041 0.045179 0.253871 Li\n",
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"formula_full": "Li12",
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"energy": -22.24252073,
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{
"id": "mp-1096653",
"created_at": "2022-09-04T14:39:34.363138Z",
"structure_string": "Y2 Ag1 Pb1\n1.0\n-5.842950 6.613923 9.285546\n5.842950 -6.613923 9.285546\n5.842950 6.613923 -9.285546\nY Ag Pb\n2 1 1\ndirect\n0.000000 0.255946 0.255946 Y\n0.000000 0.744054 0.744054 Y\n0.000000 0.000000 0.000000 Ag\n0.000000 0.500000 0.500000 Pb\n",
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"formula_full": "Y2 Ag1 Pb1",
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]
}