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{
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"created_at": "2022-09-04T14:36:31.532768Z",
"updated_at": "2022-09-04T14:36:31.532798Z",
"structure_string": "Th2 Si2 Se2\n1.0\n4.020674 0.000000 -0.000000\n0.000000 4.020674 -0.000000\n-2.010337 -2.010337 8.866274\nTh Si Se\n2 2 2\ndirect\n0.868824 0.868824 0.737651 Th\n0.131174 0.131174 0.262349 Th\n0.500000 0.000000 0.000000 Si\n0.000000 0.500000 0.000000 Si\n0.689094 0.689094 0.378190 Se\n0.310904 0.310904 0.621809 Se\n",
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"elements": [
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"volume": 143.3305843614905,
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},
{
"id": "jvasp-16049",
"created_at": "2022-09-04T14:35:41.777485Z",
"updated_at": "2022-09-04T14:35:41.777513Z",
"structure_string": "Th1 Si2 Tc2\n1.0\n3.993326 -0.000000 -1.533110\n-0.588589 3.949711 -1.533110\n-0.066704 -0.077381 5.793562\nTh Si Tc\n1 2 2\ndirect\n0.000000 0.000000 0.000000 Th\n0.630678 0.630677 0.261354 Si\n0.369324 0.369323 0.738646 Si\n0.750001 0.250000 0.500000 Tc\n0.250001 0.750000 0.500000 Tc\n",
"nsites": 5,
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"elements": [
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"formula_full": "Th1 Si2 Tc2",
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{
"id": "jvasp-35326",
"created_at": "2022-09-04T14:37:36.785182Z",
"updated_at": "2022-09-04T14:37:36.785207Z",
"structure_string": "Th2 Si2 Te2\n1.0\n4.188280 -0.000000 -0.000000\n-0.000000 4.188280 -0.000000\n-2.094139 -2.094139 9.246166\nTh Si Te\n2 2 2\ndirect\n0.120970 0.120970 0.241939 Th\n0.879030 0.879030 0.758061 Th\n0.000000 0.500000 0.000000 Si\n0.500000 0.000000 0.000000 Si\n0.310727 0.310727 0.621453 Te\n0.689274 0.689274 0.378547 Te\n",
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{
"id": "jvasp-40052",
"created_at": "2022-09-04T14:37:53.429512Z",
"updated_at": "2022-09-04T14:37:53.429526Z",
"structure_string": "Th1 Sn1 Au2\n1.0\n0.000000 3.604920 3.604920\n3.604920 -0.000000 3.604920\n3.604920 3.604920 0.000000\nTh Sn Au\n1 1 2\ndirect\n0.750001 0.750001 0.750001 Th\n0.250000 0.250000 0.250000 Sn\n0.500000 0.500000 0.500000 Au\n0.000000 0.000000 0.000000 Au\n",
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},
{
"id": "jvasp-12957",
"created_at": "2022-09-04T14:36:45.947120Z",
"updated_at": "2022-09-04T14:36:45.947144Z",
"structure_string": "Th2 Sn2 I12\n1.0\n3.802895 -6.586806 -0.000000\n3.802895 6.586806 -0.000000\n-0.000000 0.000000 14.039815\nTh Sn I\n2 2 12\ndirect\n0.666666 0.333332 0.750000 Th\n0.333332 0.666666 0.250000 Th\n0.000000 0.000000 0.000000 Sn\n0.000000 0.000000 0.500000 Sn\n0.646709 -0.010123 0.626000 I\n0.010122 0.656831 0.626000 I\n0.353291 0.343168 0.126001 I\n0.656831 0.010122 0.126001 I\n-0.010123 0.646709 0.126001 I\n0.656831 0.646708 0.373999 I\n-0.010123 0.343168 0.373999 I\n0.353291 0.010122 0.373999 I\n0.646708 0.656831 0.873999 I\n0.343168 -0.010123 0.873999 I\n0.010122 0.353291 0.873999 I\n0.343168 0.353291 0.626000 I\n",
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"elements": [
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"I"
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"chemical_system": "I-Sn-Th",
"density": 5.251357524482893,
"density_atomic": 0.022747799665786265,
"volume": 703.3647313179364,
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"formula_full": "Th2 Sn2 I12",
"formula_reduced": "ThSnI6",
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},
{
"id": "jvasp-39671",
"created_at": "2022-09-04T14:37:48.566980Z",
"updated_at": "2022-09-04T14:37:48.566991Z",
"structure_string": "Th1 Sn1 Pd2\n1.0\n-0.001424 3.500634 3.500634\n3.500634 -0.001424 3.500634\n3.500634 3.500634 -0.001424\nTh Sn Pd\n1 1 2\ndirect\n0.750000 0.750000 0.750000 Th\n0.250001 0.250001 0.250001 Sn\n0.000116 0.000116 0.000116 Pd\n0.499882 0.499882 0.499882 Pd\n",
"nsites": 4,
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"elements": [
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"volume": 85.84895839955126,
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"formula_full": "Th1 Sn1 Pd2",
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},
{
"id": "jvasp-7926",
"created_at": "2022-09-04T14:36:49.202494Z",
"updated_at": "2022-09-04T14:36:49.202515Z",
"structure_string": "Th1 Sn1 Pt1\n1.0\n4.178183 0.000000 2.412275\n1.392728 3.939228 2.412275\n-0.000000 -0.000000 4.824550\nTh Sn Pt\n1 1 1\ndirect\n0.000000 0.000000 0.000000 Th\n0.500000 0.500000 0.499999 Sn\n0.250000 0.250000 0.249999 Pt\n",
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{
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"created_at": "2022-09-04T14:35:52.719613Z",
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"structure_string": "Th3 Sn3 Rh3\n1.0\n0.000000 0.000000 -4.123015\n-3.796458 -6.575658 0.000000\n-3.796448 6.575652 0.000000\nTh Sn Rh\n3 3 3\ndirect\n0.500001 0.588669 0.000000 Th\n0.500001 0.411311 0.411320 Th\n0.500001 -0.000009 0.588680 Th\n0.000000 0.251418 0.000000 Sn\n0.000000 0.748560 0.748570 Sn\n0.000000 0.999990 0.251430 Sn\n0.000000 0.333323 0.666668 Rh\n0.000000 0.666655 0.333332 Rh\n0.500001 0.999989 0.000000 Rh\n",
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{
"id": "jvasp-39864",
"created_at": "2022-09-04T14:37:36.525112Z",
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"structure_string": "Th1 Sn1 Ru2\n1.0\n-0.000001 3.407531 3.407539\n3.407538 -0.000000 3.407538\n3.407542 3.407535 -0.000004\nTh Sn Ru\n1 1 2\ndirect\n0.750001 0.750000 0.749999 Th\n0.249999 0.249999 0.249999 Sn\n0.000000 0.000000 0.000000 Ru\n0.500002 0.500000 0.500001 Ru\n",
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