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"results": [
{
"id": "mp-865591",
"created_at": "2022-09-04T14:40:59.055063Z",
"structure_string": "Ti2 Ni1 Mo1\n1.0\n0.000000 3.080347 3.080347\n3.080347 0.000000 3.080347\n3.080347 3.080347 0.000000\nTi Ni Mo\n2 1 1\ndirect\n0.750000 0.750000 0.750000 Ti\n0.250000 0.250000 0.250000 Ti\n0.500000 0.500000 0.500000 Ni\n0.000000 0.000000 0.000000 Mo\n",
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{
"id": "mp-1027869",
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"formula_full": "Mg14 Fe1 Cu1",
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{
"id": "mp-1110992",
"created_at": "2022-09-04T14:40:31.637860Z",
"structure_string": "Na2 Tl1 Cu1 Cl6\n1.0\n0.000000 5.114340 5.114340\n5.114340 0.000000 5.114340\n5.114340 5.114340 0.000000\nNa Tl Cu Cl\n2 1 1 6\ndirect\n0.750000 0.750000 0.750000 Na\n0.250000 0.250000 0.250000 Na\n0.000000 0.000000 0.000000 Tl\n0.500000 0.500000 0.500000 Cu\n0.737608 0.262392 0.262392 Cl\n0.262392 0.262392 0.737608 Cl\n0.262392 0.737608 0.737608 Cl\n0.262392 0.737608 0.262392 Cl\n0.737608 0.262392 0.737608 Cl\n0.737608 0.737608 0.262392 Cl\n",
"nsites": 10,
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"elements": [
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"chemical_system": "Cl-Cu-Na-Tl",
"density": 3.2685362118559063,
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"volume": 267.5461987469891,
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"formula_full": "Na2 Tl1 Cu1 Cl6",
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"spacegroup": 225
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{
"id": "mp-865998",
"created_at": "2022-09-04T14:48:30.466759Z",
"structure_string": "Hf1 Ga1 Ir2\n1.0\n0.000000 3.179861 3.179861\n3.179861 0.000000 3.179861\n3.179861 3.179861 0.000000\nHf Ga Ir\n1 1 2\ndirect\n0.000000 0.000000 0.000000 Hf\n0.500000 0.500000 0.500000 Ga\n0.250000 0.250000 0.250000 Ir\n0.750000 0.750000 0.750000 Ir\n",
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"elements": [
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"formula_full": "Hf1 Ga1 Ir2",
"formula_reduced": "HfGaIr2",
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"updated_at": "2021-11-28T01:39:53.453000Z",
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},
{
"id": "mp-1206929",
"created_at": "2022-09-04T14:43:03.273526Z",
"structure_string": "Y1 Ni2 B2\n1.0\n3.549262 0.000000 0.000000\n0.000000 3.549262 0.000000\n-1.774631 -1.774631 4.608581\nY Ni B\n1 2 2\ndirect\n0.000000 0.000000 0.000000 Y\n0.250000 0.750000 0.500000 Ni\n0.750000 0.250000 0.500000 Ni\n0.377834 0.377834 0.755668 B\n0.622166 0.622166 0.244332 B\n",
"nsites": 5,
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"volume": 58.055496519812195,
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"formula_full": "Y1 Ni2 B2",
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"updated_at": "2021-11-28T01:35:57.427000Z",
"spacegroup": 139
},
{
"id": "mp-1221751",
"created_at": "2022-09-04T14:46:13.542868Z",
"structure_string": "Mn1 Fe1 Sn4\n1.0\n-3.254990 3.254990 2.653878\n3.254990 -3.254990 2.653878\n3.254990 3.254990 -2.653878\nMn Fe Sn\n1 1 4\ndirect\n0.500000 0.500000 0.000000 Mn\n0.000000 0.000000 0.000000 Fe\n0.912754 0.412754 0.825508 Sn\n0.587246 0.087246 0.174492 Sn\n0.087246 0.912754 0.500000 Sn\n0.412754 0.587246 0.500000 Sn\n",
"nsites": 6,
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"density": 8.646234158065445,
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"volume": 112.47092395903036,
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"formula_full": "Mn1 Fe1 Sn4",
"formula_reduced": "MnFeSn4",
"formula_anonymous": "ABC4",
"energy": -33.55385634,
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"updated_at": "2021-11-28T01:37:29.800000Z",
"spacegroup": 97
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{
"id": "mp-1079587",
"created_at": "2022-09-04T14:48:03.504356Z",
"structure_string": "Yb4 Pd4\n1.0\n4.408516 0.000000 0.000000\n0.000000 5.633647 0.000000\n0.000000 0.000000 7.163402\nYb Pd\n4 4\ndirect\n0.250000 0.364995 0.680012 Yb\n0.250000 0.135005 0.180012 Yb\n0.750000 0.635005 0.319988 Yb\n0.750000 0.864995 0.819988 Yb\n0.250000 0.855064 0.541104 Pd\n0.250000 0.644936 0.041104 Pd\n0.750000 0.144936 0.458896 Pd\n0.750000 0.355064 0.958896 Pd\n",
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],
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"density": 10.433436264859829,
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"volume": 177.91041638505487,
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"formula_full": "Yb4 Pd4",
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},
{
"id": "mp-12813",
"created_at": "2022-09-04T14:46:51.897920Z",
"structure_string": "Yb2 In4 Rh2\n1.0\n2.084319 -5.104579 0.000000\n2.084319 5.104579 0.000000\n0.000000 0.000000 8.355690\nYb In Rh\n2 4 2\ndirect\n0.066062 0.933938 0.250000 Yb\n0.933938 0.066062 0.750000 Yb\n0.645845 0.354155 0.549575 In\n0.354155 0.645845 0.450425 In\n0.645845 0.354155 0.950425 In\n0.354155 0.645845 0.049575 In\n0.219516 0.780484 0.750000 Rh\n0.780484 0.219516 0.250000 Rh\n",
"nsites": 8,
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"density": 9.443518502007185,
"density_atomic": 0.04499389135750002,
"volume": 177.80191396284914,
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"formula_full": "Yb2 In4 Rh2",
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{
"id": "mp-1186233",
"created_at": "2022-09-04T14:40:12.531532Z",
"structure_string": "Nb1 Sn1 Ru2\n1.0\n0.000000 3.203408 3.203408\n3.203408 0.000000 3.203408\n3.203408 3.203408 0.000000\nNb Sn Ru\n1 1 2\ndirect\n0.500000 0.500000 0.500000 Nb\n0.000000 0.000000 0.000000 Sn\n0.250000 0.250000 0.250000 Ru\n0.750000 0.750000 0.750000 Ru\n",
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"density": 10.450258607495126,
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"volume": 65.745610596873,
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{
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"structure_string": "Hf2 Ni2\n1.0\n1.618893 -4.887097 0.000000\n1.618893 4.887097 0.000000\n0.000000 0.000000 4.085793\nHf Ni\n2 2\ndirect\n0.859683 0.140317 0.750000 Hf\n0.140317 0.859683 0.250000 Hf\n0.583711 0.416289 0.750000 Ni\n0.416289 0.583711 0.250000 Ni\n",
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{
"id": "mp-862863",
"created_at": "2022-09-04T14:39:23.173775Z",
"structure_string": "Pa3 Te1\n1.0\n4.576172 0.000000 0.000000\n0.000000 4.576172 0.000000\n0.000000 0.000000 4.576172\nPa Te\n3 1\ndirect\n0.000000 0.500000 0.500000 Pa\n0.500000 0.000000 0.500000 Pa\n0.500000 0.500000 0.000000 Pa\n0.000000 0.000000 0.000000 Te\n",
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{
"id": "mp-1069461",
"created_at": "2022-09-04T14:48:30.916625Z",
"structure_string": "Ho1 Si3 Ir1\n1.0\n-2.090792 2.090792 4.916456\n2.090792 -2.090792 4.916456\n2.090792 2.090792 -4.916456\nHo Si Ir\n1 3 1\ndirect\n0.997389 0.997389 0.000000 Ho\n0.414749 0.414749 0.000000 Si\n0.265049 0.765049 0.500000 Si\n0.765049 0.265049 0.500000 Si\n0.651764 0.651764 0.000000 Ir\n",
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"volume": 85.96740304036486,
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"formula_full": "Ho1 Si3 Ir1",
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"updated_at": "2021-11-28T01:39:46.983000Z",
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]
}