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{
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"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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"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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{
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"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",
"nsites": 6,
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"volume": 162.1933717281999,
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"formula_full": "Th2 Si2 Te2",
"formula_reduced": "ThSiTe",
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"spacegroup": 139
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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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"volume": 90.43137730032635,
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"formula_full": "Th1 Si2 Tc2",
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"spacegroup": 139
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{
"id": "jvasp-93762",
"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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},
{
"id": "jvasp-93876",
"created_at": "2022-09-04T14:36:14.981633Z",
"updated_at": "2022-09-04T14:36:14.981659Z",
"structure_string": "Th2 Si2 S2\n1.0\n3.925325 0.000000 0.000000\n0.000000 3.925325 0.000000\n-1.962662 -1.962662 8.622548\nTh Si S\n2 2 2\ndirect\n0.861975 0.861975 0.723951 Th\n0.138025 0.138025 0.276049 Th\n0.499999 -0.000000 -0.000000 Si\n-0.000000 0.499999 -0.000000 Si\n0.688406 0.688406 0.376815 S\n0.311593 0.311593 0.623185 S\n",
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"volume": 132.85774021884163,
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"formula_full": "Th2 Si2 S2",
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"spacegroup": 139
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{
"id": "jvasp-99551",
"created_at": "2022-09-04T14:36:48.245855Z",
"updated_at": "2022-09-04T14:36:48.245882Z",
"structure_string": "Th2 Si3 Ru1\n1.0\n4.069811 -0.000584 -6.669920\n-0.314821 3.929327 -6.746293\n0.016123 0.000584 7.813509\nTh Si Ru\n2 3 1\ndirect\n0.748984 0.248985 0.500000 Th\n0.002539 0.002539 0.000000 Th\n0.584071 0.584072 0.000001 Si\n0.329892 0.829892 0.500001 Si\n0.418489 0.418489 0.000001 Si\n0.166024 0.666025 0.500000 Ru\n",
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"elements": [
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"volume": 125.3890971185912,
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"formula_full": "Th2 Si3 Ru1",
"formula_reduced": "Th2Si3Ru",
"formula_anonymous": "AB2C3",
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"spacegroup": 44
},
{
"id": "jvasp-35327",
"created_at": "2022-09-04T14:37:39.868850Z",
"updated_at": "2022-09-04T14:37:39.868876Z",
"structure_string": "Th1 Si2 Ru3\n1.0\n2.824005 -4.891320 -0.000000\n2.824005 4.891320 0.000000\n-0.000000 0.000000 3.635277\nTh Si Ru\n1 2 3\ndirect\n0.000000 0.000000 0.000000 Th\n0.666668 0.333334 0.000000 Si\n0.333334 0.666668 0.000000 Si\n0.500000 0.000000 0.500000 Ru\n0.000000 0.500000 0.500000 Ru\n0.500001 0.500001 0.500000 Ru\n",
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"formula_full": "Th1 Si2 Ru3",
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"spacegroup": 191
},
{
"id": "jvasp-92561",
"created_at": "2022-09-04T14:35:55.368393Z",
"updated_at": "2022-09-04T14:35:55.368413Z",
"structure_string": "Th1 Si3 Ru1\n1.0\n4.273762 0.000000 -0.000000\n0.000000 4.273762 -0.000000\n-2.136882 -2.136882 4.971733\nTh Si Ru\n1 3 1\ndirect\n0.995883 0.995883 0.991765 Th\n0.418532 0.418532 0.837064 Si\n0.761852 0.261852 0.523705 Si\n0.261852 0.761852 0.523705 Si\n0.655879 0.655879 0.311758 Ru\n",
"nsites": 5,
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"formula_full": "Th1 Si3 Ru1",
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},
{
"id": "jvasp-15530",
"created_at": "2022-09-04T14:35:42.240245Z",
"updated_at": "2022-09-04T14:35:42.240275Z",
"structure_string": "Th1 Si2 Ru2\n1.0\n3.938392 -0.000000 -1.556586\n-0.615216 3.890043 -1.556586\n-0.007127 -0.008342 5.742617\nTh Si Ru\n1 2 2\ndirect\n0.000000 0.000000 0.000000 Th\n0.632411 0.632412 0.264824 Si\n0.367586 0.367587 0.735174 Si\n0.749999 0.250000 0.499999 Ru\n0.249999 0.750000 0.499999 Ru\n",
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{
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"created_at": "2022-09-04T14:35:45.007419Z",
"updated_at": "2022-09-04T14:35:45.007443Z",
"structure_string": "Th1 Si3 Rh1\n1.0\n4.311102 -0.000000 0.000000\n0.000000 4.311102 -0.000000\n-2.155551 -2.155551 4.844150\nTh Si Rh\n1 3 1\ndirect\n0.001105 0.001105 0.002211 Th\n0.409954 0.409954 0.819907 Si\n0.763598 0.263598 0.527197 Si\n0.263598 0.763598 0.527197 Si\n0.655743 0.655743 0.311487 Rh\n",
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{
"id": "jvasp-15377",
"created_at": "2022-09-04T14:36:55.701258Z",
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"structure_string": "Th1 Si2 Rh2\n1.0\n3.870727 -0.000000 -1.462742\n-0.552768 3.831054 -1.462742\n0.004473 0.005166 5.864593\nTh Si Rh\n1 2 2\ndirect\n0.000000 0.000000 0.000000 Th\n0.621837 0.621836 0.243675 Si\n0.378163 0.378164 0.756325 Si\n0.249999 0.750000 0.500000 Rh\n0.750000 0.250000 0.500000 Rh\n",
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