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{
"id": "jvasp-40457",
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"structure_string": "Th1 Pb1 Au2\n1.0\n-0.000042 3.643378 3.643377\n3.643249 -0.000021 3.643355\n3.643245 3.643352 -0.000016\nTh Pb Au\n1 1 2\ndirect\n0.750002 0.750001 0.750000 Th\n0.250000 0.250000 0.250000 Pb\n0.500000 0.500002 0.500002 Au\n0.000003 0.999999 0.999998 Au\n",
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"structure_string": "Th1 Pb1 I6\n1.0\n7.338751 0.107199 0.000000\n-6.067850 4.129159 0.000000\n-0.000000 -0.000000 10.058991\nTh Pb I\n1 1 6\ndirect\n0.237195 0.762806 0.500000 Th\n0.764285 0.235715 -0.000000 Pb\n0.143330 0.856671 0.797754 I\n0.853632 0.146369 0.677043 I\n0.143330 0.856671 0.202246 I\n0.853632 0.146369 0.322957 I\n0.427019 0.572982 -0.000000 I\n0.575479 0.424521 0.500000 I\n",
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"structure_string": "Th1 Ru3 C1\n1.0\n4.237565 -0.000000 0.000000\n0.000000 4.237565 -0.000000\n0.000000 0.000000 4.237565\nTh Ru C\n1 3 1\ndirect\n0.000000 0.000000 0.000000 Th\n0.000000 0.500001 0.500001 Ru\n0.500001 0.500001 0.000000 Ru\n0.500001 0.000000 0.500001 Ru\n0.500001 0.500001 0.500001 C\n",
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"formula_full": "Th1 Ru3 C1",
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{
"id": "jvasp-2634",
"created_at": "2022-09-04T14:36:59.752510Z",
"updated_at": "2022-09-04T14:36:59.752540Z",
"structure_string": "Th2 S1 N2\n1.0\n2.013654 -3.487751 -0.000000\n2.013654 3.487751 0.000000\n-0.000000 -0.000000 6.949574\nTh S N\n2 1 2\ndirect\n0.666666 0.333332 0.287316 Th\n0.333332 0.666666 0.712683 Th\n0.000000 0.000000 0.000000 S\n0.333332 0.666666 0.367880 N\n0.666666 0.333332 0.632119 N\n",
"nsites": 5,
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"elements": [
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"density_atomic": 0.05122140699930798,
"volume": 97.61543645350375,
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"formula_full": "Th2 S1 N2",
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"spacegroup": 164
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{
"id": "jvasp-8161",
"created_at": "2022-09-04T14:36:44.949975Z",
"updated_at": "2022-09-04T14:36:44.949994Z",
"structure_string": "Th2 S2 O2\n1.0\n3.983337 0.000000 0.000000\n0.000000 3.983337 0.000000\n0.000000 0.000000 6.785977\nTh S O\n2 2 2\ndirect\n0.000000 0.500000 0.799504 Th\n0.500000 0.000000 0.200496 Th\n0.500000 0.000000 0.638380 S\n0.000000 0.500000 0.361620 S\n0.500000 0.500000 0.000000 O\n0.000000 0.000000 0.000000 O\n",
"nsites": 6,
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"formula_reduced": "ThSO",
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{
"id": "jvasp-1699",
"created_at": "2022-09-04T14:36:02.024917Z",
"updated_at": "2022-09-04T14:36:02.024943Z",
"structure_string": "Th1 Sb1 Rh1\n1.0\n4.122320 0.000000 2.380023\n1.374107 3.886560 2.380023\n0.000000 0.000000 4.760046\nTh Sb Rh\n1 1 1\ndirect\n0.000000 0.000000 0.000000 Th\n0.500000 0.500000 0.500000 Sb\n0.250000 0.250000 0.250000 Rh\n",
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{
"id": "jvasp-35101",
"created_at": "2022-09-04T14:37:39.571930Z",
"updated_at": "2022-09-04T14:37:39.571960Z",
"structure_string": "Th2 Sb2 Se2\n1.0\n4.300948 0.000000 0.000000\n0.000000 4.300948 -0.000000\n0.000000 -0.000000 8.799839\nTh Sb Se\n2 2 2\ndirect\n0.500000 0.000000 0.713515 Th\n0.000000 0.500000 0.286485 Th\n0.500000 0.500000 0.000000 Sb\n0.000000 0.000000 0.000000 Sb\n0.500000 0.000000 0.367763 Se\n0.000000 0.500000 0.632237 Se\n",
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"formula_full": "Th2 Sb2 Se2",
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{
"id": "jvasp-35103",
"created_at": "2022-09-04T14:37:39.893740Z",
"updated_at": "2022-09-04T14:37:39.893769Z",
"structure_string": "Th2 Sb2 Te2\n1.0\n4.455184 0.000000 0.000000\n-0.000000 4.455184 0.000000\n-0.000000 -0.000000 9.185594\nTh Sb Te\n2 2 2\ndirect\n0.500000 0.000000 0.735125 Th\n0.000000 0.500000 0.264875 Th\n0.500000 0.500000 0.000000 Sb\n0.000000 0.000000 0.000000 Sb\n0.500000 0.000000 0.370315 Te\n0.000000 0.500000 0.629685 Te\n",
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{
"id": "jvasp-79968",
"created_at": "2022-09-04T14:37:03.725922Z",
"updated_at": "2022-09-04T14:37:03.725941Z",
"structure_string": "Th1 Sc1 Tc2\n1.0\n0.000000 3.387793 3.387793\n3.387793 -0.000000 3.387793\n3.387793 3.387793 -0.000000\nTh Sc Tc\n1 1 2\ndirect\n0.749999 0.749999 0.749999 Th\n0.250000 0.250000 0.250000 Sc\n0.000000 0.000000 0.000000 Tc\n0.500000 0.500000 0.500000 Tc\n",
"nsites": 4,
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},
{
"id": "jvasp-2631",
"created_at": "2022-09-04T14:36:58.339475Z",
"updated_at": "2022-09-04T14:36:58.339498Z",
"structure_string": "Th2 Se1 N2\n1.0\n2.024220 -3.506051 0.000000\n2.024220 3.506051 0.000000\n0.000000 0.000000 7.199295\nTh Se N\n2 1 2\ndirect\n0.666667 0.333333 0.704546 Th\n0.333333 0.666667 0.295454 Th\n0.000000 0.000000 0.000000 Se\n0.333333 0.666667 0.627651 N\n0.666667 0.333333 0.372350 N\n",
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{
"id": "jvasp-91499",
"created_at": "2022-09-04T14:35:47.725032Z",
"updated_at": "2022-09-04T14:35:47.725056Z",
"structure_string": "Th4 Se8 O28\n1.0\n7.054938 0.014153 0.000000\n-2.038080 8.851224 0.000000\n0.000000 0.000000 9.652907\nTh Se O\n4 8 28\ndirect\n0.789971 0.132984 0.460006 Th\n0.789970 0.632983 0.039994 Th\n0.210030 0.867016 0.539994 Th\n0.210030 0.367016 0.960006 Th\n0.671966 0.248045 0.096142 Se\n0.877586 0.983260 0.819408 Se\n0.122414 0.516739 0.319408 Se\n0.671966 0.748044 0.403858 Se\n0.122414 0.016739 0.180592 Se\n0.328034 0.751955 0.903858 Se\n0.328034 0.251955 0.596142 Se\n0.877586 0.483260 0.680592 Se\n0.271941 0.646348 0.414872 O\n0.257492 0.474654 0.191258 O\n0.548528 0.889994 0.442589 O\n0.271941 0.146348 0.085128 O\n0.103644 0.124585 0.562084 O\n0.952612 0.136793 0.915250 O\n0.451472 0.110005 0.557411 O\n0.896356 0.875414 0.437917 O\n0.952612 0.636793 0.584751 O\n0.060478 0.406437 0.732448 O\n0.896356 0.375414 0.062083 O\n0.728059 0.353651 0.585129 O\n0.060478 0.906437 0.767552 O\n0.742508 0.025346 0.691259 O\n0.658716 0.245775 0.273082 O\n0.341284 0.754225 0.726919 O\n0.257492 0.974653 0.308742 O\n0.728059 0.853651 0.914872 O\n0.939522 0.093562 0.232448 O\n0.341284 0.254225 0.773082 O\n0.548528 0.389994 0.057411 O\n0.047388 0.363206 0.415250 O\n0.451472 0.610005 0.942589 O\n0.103644 0.624585 0.937917 O\n0.742508 0.525346 0.808742 O\n0.047388 0.863206 0.084750 O\n0.939522 0.593562 0.267552 O\n0.658716 0.745774 0.226918 O\n",
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{
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"structure_string": "Th2 Se2 O2\n1.0\n4.047644 0.000000 0.000000\n-0.000000 4.047644 -0.000000\n0.000000 0.000000 7.072029\nTh Se O\n2 2 2\ndirect\n0.499999 0.000000 0.188780 Th\n0.000000 0.499999 0.811221 Th\n0.499999 0.000000 0.636979 Se\n0.000000 0.499999 0.363021 Se\n0.000000 0.000000 0.000000 O\n0.499999 0.499999 0.000000 O\n",
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