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{
"id": "jvasp-115387",
"created_at": "2022-09-04T14:38:46.140668Z",
"updated_at": "2022-09-04T14:38:46.140685Z",
"structure_string": "Pb2 S1\n1.0\n7.034471 0.489679 0.297615\n-3.283839 -4.640342 1.047511\n1.189800 1.993122 -3.359097\nPb S\n2 1\ndirect\n0.429019 0.492148 0.238743 Pb\n0.003532 0.566863 0.026392 Pb\n0.892593 0.956185 0.971225 S\n",
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{
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"structure_string": "Tb1 Co1 C2\n1.0\n3.586739 0.000000 0.000000\n0.000000 3.606697 -1.067129\n0.000000 0.007202 3.761246\nTb Co C\n1 1 2\ndirect\n0.000000 0.003025 0.996975 Tb\n0.500000 0.621056 0.378945 Co\n0.500000 0.158434 0.537515 C\n0.500000 0.462486 0.841567 C\n",
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{
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"updated_at": "2022-09-04T14:37:58.156861Z",
"structure_string": "H3 Pb1\n1.0\n-1.955852 1.955852 2.765142\n1.955852 -1.955852 2.765142\n1.955852 1.955852 -2.765142\nH Pb\n3 1\ndirect\n0.749999 0.249999 0.500001 H\n0.249999 0.749999 0.500001 H\n0.500000 0.500000 0.000000 H\n0.000000 0.000000 0.000000 Pb\n",
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"elements": [
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"volume": 42.310621730500316,
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{
"id": "jvasp-26181",
"created_at": "2022-09-04T14:38:03.227341Z",
"updated_at": "2022-09-04T14:38:03.227362Z",
"structure_string": "Ca2 B5 Os3\n1.0\n3.901008 -0.000014 1.192834\n1.790937 5.217856 1.118203\n0.002498 -0.030504 6.967242\nCa B Os\n2 5 3\ndirect\n0.073545 0.558066 0.760738 Ca\n0.392356 0.441937 0.239265 Ca\n0.735313 0.500001 0.500003 B\n0.475531 0.937688 0.119673 B\n0.532893 0.062318 0.880325 B\n0.374063 0.017406 0.689677 B\n0.081143 0.982589 0.310320 B\n0.010209 0.000004 -0.000003 Os\n0.878701 0.136063 0.597885 Os\n0.612649 0.863937 0.402110 Os\n",
"nsites": 10,
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"elements": [
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],
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"density": 8.250619942463427,
"density_atomic": 0.07048705373938811,
"volume": 141.87002391918685,
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"formula_full": "Ca2 B5 Os3",
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"spacegroup": 5
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{
"id": "jvasp-100020",
"created_at": "2022-09-04T14:36:34.385392Z",
"updated_at": "2022-09-04T14:36:34.385401Z",
"structure_string": "Ce1 Y4 Rh5\n1.0\n3.429851 0.000000 0.000000\n-0.000000 3.429851 0.000000\n0.000000 -0.000000 17.283426\nCe Y Rh\n1 4 5\ndirect\n0.000000 0.000000 0.000000 Ce\n0.000000 0.000000 0.202187 Y\n0.000000 0.000000 0.400714 Y\n0.000000 0.000000 0.599287 Y\n0.000000 0.000000 0.797814 Y\n0.500000 0.500000 0.097815 Rh\n0.500000 0.500000 0.300344 Rh\n0.500000 0.500000 0.500000 Rh\n0.500000 0.500000 0.699657 Rh\n0.500000 0.500000 0.902185 Rh\n",
"nsites": 10,
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"density": 8.25096755863029,
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"volume": 203.3201128500577,
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"formula_full": "Ce1 Y4 Rh5",
"formula_reduced": "CeY4Rh5",
"formula_anonymous": "AB4C5",
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"spacegroup": 123
},
{
"id": "jvasp-41023",
"created_at": "2022-09-04T14:37:40.306849Z",
"updated_at": "2022-09-04T14:37:40.306879Z",
"structure_string": "Pm2 Sn1 Pd1\n1.0\n-0.000000 3.728499 3.728499\n3.728499 0.000000 3.728499\n3.728499 3.728499 0.000000\nPm Sn Pd\n2 1 1\ndirect\n0.000000 0.000000 0.000000 Pm\n0.500000 0.500000 0.500000 Pm\n0.749999 0.749999 0.749999 Sn\n0.249999 0.249999 0.249999 Pd\n",
"nsites": 4,
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"density": 8.251518009812216,
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"volume": 103.66498483799886,
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"formula_full": "Pm2 Sn1 Pd1",
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"spacegroup": 225
},
{
"id": "jvasp-92556",
"created_at": "2022-09-04T14:35:59.728230Z",
"updated_at": "2022-09-04T14:35:59.728255Z",
"structure_string": "Tb1 Si3 Ir1\n1.0\n4.225726 0.000000 -0.000000\n-0.000000 4.225726 0.000000\n-2.112863 -2.112863 4.906717\nTb Si Ir\n1 3 1\ndirect\n0.998421 0.998421 0.996839 Tb\n0.414124 0.414124 0.828247 Si\n0.764435 0.264435 0.528868 Si\n0.264435 0.764435 0.528868 Si\n0.652590 0.652590 0.305179 Ir\n",
"nsites": 5,
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"elements": [
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"Si",
"Ir"
],
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"density": 8.251686078770366,
"density_atomic": 0.05706585477988787,
"volume": 87.61806897111767,
"volume_molar": 10.552966889269177,
"formula_full": "Tb1 Si3 Ir1",
"formula_reduced": "TbSi3Ir",
"formula_anonymous": "ABC3",
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"spacegroup": 107
},
{
"id": "jvasp-119187",
"created_at": "2022-09-04T14:38:52.734938Z",
"updated_at": "2022-09-04T14:38:52.734967Z",
"structure_string": "Ga1 Sb3 Pb4 O13\n1.0\n6.487679 -0.004323 3.649162\n2.132247 6.127277 3.649162\n-0.006085 -0.004323 7.443542\nGa Sb Pb O\n1 3 4 13\ndirect\n0.499489 0.499490 0.499489 Ga\n0.001050 0.499789 0.499788 Sb\n0.499789 0.499789 0.001050 Sb\n0.499788 0.001050 0.499788 Sb\n0.997330 0.997332 0.997329 Pb\n0.505200 0.998309 0.998307 Pb\n0.998308 0.998309 0.505199 Pb\n0.998308 0.505202 0.998307 Pb\n0.178846 0.573234 0.178846 O\n0.178846 0.178847 0.573233 O\n0.571210 0.571211 0.176993 O\n0.573233 0.178847 0.178846 O\n0.176993 0.571211 0.571210 O\n0.426701 0.426702 0.826077 O\n0.823733 0.424806 0.823733 O\n0.823734 0.823735 0.424804 O\n0.571210 0.176994 0.571210 O\n0.424805 0.823735 0.823733 O\n0.826077 0.426702 0.426701 O\n0.426701 0.826078 0.426701 O\n0.123646 0.123646 0.123646 O\n",
"nsites": 21,
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"elements": [
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"Pb",
"O"
],
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"density": 8.251991402669674,
"density_atomic": 0.07090577069972512,
"volume": 296.1677137525481,
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"formula_full": "Ga1 Sb3 Pb4 O13",
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"formula_anonymous": "AB3C4D13",
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"spacegroup": 160
},
{
"id": "jvasp-85365",
"created_at": "2022-09-04T14:35:45.707367Z",
"updated_at": "2022-09-04T14:35:45.707395Z",
"structure_string": "Fe11 Co5\n1.0\n5.681023 -0.000002 -0.000002\n-0.000002 5.681022 -0.000001\n-0.000002 -0.000001 5.667377\nFe Co\n11 5\ndirect\n0.249779 0.249779 0.249943 Fe\n0.249779 0.750221 0.750058 Fe\n0.750221 0.249779 0.249944 Fe\n0.750221 0.249779 0.750057 Fe\n0.500000 0.500000 0.000000 Fe\n0.249779 0.750221 0.249944 Fe\n0.249779 0.249779 0.750056 Fe\n0.750221 0.750221 0.249944 Fe\n0.500000 0.500000 0.500001 Fe\n0.000000 0.000000 0.500000 Fe\n0.750221 0.750221 0.750058 Fe\n0.500000 0.000000 0.000000 Co\n0.000000 0.500000 0.500000 Co\n0.000000 0.500000 0.000000 Co\n0.000000 0.000000 0.000000 Co\n0.500000 0.000000 0.500000 Co\n",
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"elements": [
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"volume": 182.90901963430676,
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"formula_full": "Fe11 Co5",
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"formula_anonymous": "A5B11",
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"spacegroup": 123
},
{
"id": "jvasp-116785",
"created_at": "2022-09-04T14:38:51.512999Z",
"updated_at": "2022-09-04T14:38:51.513019Z",
"structure_string": "Pb2 W2 O8\n1.0\n5.082181 -0.005597 -5.083155\n-0.875628 5.006183 -5.083155\n0.004708 0.005597 7.187976\nPb W O\n2 2 8\ndirect\n0.500000 0.499999 -0.000001 Pb\n0.250000 0.750000 0.499999 Pb\n0.000000 0.000000 0.000000 W\n0.750000 0.250000 0.499999 W\n0.684133 0.061014 0.910879 O\n0.523253 0.934132 0.123117 O\n0.811014 0.400136 0.876881 O\n0.150136 0.773253 0.089120 O\n0.599864 0.476746 0.410878 O\n0.938986 0.849863 0.623117 O\n0.226746 0.315868 0.376881 O\n0.065868 0.188986 0.589122 O\n",
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],
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"density": 8.252007800053574,
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"volume": 183.1330580097121,
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"formula_full": "Pb2 W2 O8",
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"spacegroup": 88
},
{
"id": "jvasp-8045",
"created_at": "2022-09-04T14:36:52.749836Z",
"updated_at": "2022-09-04T14:36:52.749862Z",
"structure_string": "Ti1 Ni2 Sn1\n1.0\n3.744111 0.000000 2.161663\n1.248037 3.529981 2.161663\n0.000000 0.000000 4.323327\nTi Ni Sn\n1 2 1\ndirect\n0.500000 0.500000 0.500000 Ti\n0.750000 0.750000 0.749999 Ni\n0.250000 0.250000 0.250000 Ni\n0.000000 0.000000 0.000000 Sn\n",
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"formula_full": "Ti1 Ni2 Sn1",
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},
{
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"created_at": "2022-09-04T14:37:43.618470Z",
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"structure_string": "Ti2 Al1 Re1\n1.0\n-0.000008 3.144059 3.144056\n3.144049 -0.000004 3.144052\n3.144039 3.144044 0.000007\nTi Al Re\n2 1 1\ndirect\n1.000000 0.999998 0.000002 Ti\n0.500001 0.500001 0.499999 Ti\n0.249999 0.249999 0.249999 Al\n0.750002 0.750000 0.749999 Re\n",
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