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{
"id": "jvasp-18017",
"created_at": "2022-09-04T14:38:16.619463Z",
"updated_at": "2022-09-04T14:38:16.619487Z",
"structure_string": "Th4 Si4\n1.0\n4.195734 -0.000000 0.000000\n-0.000000 5.930512 0.000000\n0.000000 0.000000 7.959194\nTh Si\n4 4\ndirect\n0.250000 0.125442 0.179938 Th\n0.749999 0.874557 0.820061 Th\n0.749999 0.625442 0.320062 Th\n0.250000 0.374557 0.679938 Th\n0.250000 0.632334 0.039623 Si\n0.749999 0.367665 0.960377 Si\n0.749999 0.132334 0.460377 Si\n0.250000 0.867665 0.539623 Si\n",
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{
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"structure_string": "Th4 Si2 Ge2\n1.0\n4.312478 0.000000 0.000000\n0.000000 5.942591 0.000000\n0.000000 0.000000 7.898988\nTh Si Ge\n4 2 2\ndirect\n-0.000000 0.115228 0.682873 Th\n-0.000000 0.884772 0.182872 Th\n0.500000 0.380515 0.318292 Th\n0.500000 0.619485 0.818292 Th\n0.500000 0.900746 0.456480 Si\n0.500000 0.099254 0.956480 Si\n-0.000000 0.601665 0.542356 Ge\n-0.000000 0.398335 0.042356 Ge\n",
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{
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"structure_string": "Th4 Si1 Ge1\n1.0\n5.860677 0.031355 -1.526439\n-3.494773 4.704794 -1.526439\n-0.015663 -0.031355 6.056179\nTh Si Ge\n4 1 1\ndirect\n0.914204 0.414203 0.828406 Th\n0.585797 0.085796 0.171593 Th\n0.085797 0.914203 0.500000 Th\n0.414204 0.585796 0.500000 Th\n0.500000 0.499999 -0.000000 Si\n0.000000 0.000000 0.000000 Ge\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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"elements": [
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"formula_full": "Th4 Se8 O28",
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"spacegroup": 14
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{
"id": "jvasp-10194",
"created_at": "2022-09-04T14:38:06.501987Z",
"updated_at": "2022-09-04T14:38:06.502011Z",
"structure_string": "Th4 Se8\n1.0\n4.431631 0.000000 0.000000\n-0.000000 7.644534 0.000000\n0.000000 0.000000 9.141333\nTh Se\n4 8\ndirect\n0.250000 0.252655 0.623038 Th\n0.750000 0.747344 0.376961 Th\n0.250000 0.752655 0.876961 Th\n0.750000 0.247345 0.123038 Th\n0.250000 0.029168 0.335675 Se\n0.750000 0.970832 0.664325 Se\n0.250000 0.529168 0.164325 Se\n0.750000 0.470832 0.835675 Se\n0.750000 0.359164 0.430156 Se\n0.250000 0.640835 0.569843 Se\n0.750000 0.859164 0.069843 Se\n0.250000 0.140835 0.930156 Se\n",
"nsites": 12,
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"formula_full": "Th4 Se8",
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"spacegroup": 62
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{
"id": "jvasp-9078",
"created_at": "2022-09-04T14:38:09.805238Z",
"updated_at": "2022-09-04T14:38:09.805253Z",
"structure_string": "Th4 S8\n1.0\n4.289823 -0.000000 0.000000\n0.000000 7.296773 0.000000\n0.000000 0.000000 8.672143\nTh S\n4 8\ndirect\n0.749999 0.751321 0.119400 Th\n0.250000 0.248678 0.880599 Th\n0.749999 0.251322 0.380600 Th\n0.250000 0.748678 0.619400 Th\n0.749999 0.140148 0.070124 S\n0.250000 0.859852 0.929876 S\n0.749999 0.640148 0.429876 S\n0.250000 0.359852 0.570124 S\n0.749999 0.028948 0.665797 S\n0.250000 0.971051 0.334203 S\n0.749999 0.528948 0.834203 S\n0.250000 0.471051 0.165797 S\n",
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"formula_full": "Th4 S8",
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"spacegroup": 62
},
{
"id": "jvasp-20181",
"created_at": "2022-09-04T14:37:37.866380Z",
"updated_at": "2022-09-04T14:37:37.866404Z",
"structure_string": "Th4 Re8\n1.0\n2.706339 -4.687518 -0.000000\n2.706339 4.687518 0.000000\n0.000000 -0.000000 9.497563\nTh Re\n4 8\ndirect\n0.333333 0.666667 0.938538 Th\n0.666667 0.333333 0.438539 Th\n0.666667 0.333333 0.061461 Th\n0.333333 0.666667 0.561461 Th\n0.000000 0.000000 0.000000 Re\n0.000000 0.000000 0.500000 Re\n0.830538 0.169462 0.750000 Re\n0.169462 0.338923 0.250000 Re\n0.661078 0.830538 0.250000 Re\n0.338923 0.169462 0.750000 Re\n0.830538 0.661078 0.750000 Re\n0.169462 0.830538 0.250000 Re\n",
"nsites": 12,
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"elements": [
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"density": 16.661098335922613,
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"volume": 240.9724111291648,
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"formula_full": "Th4 Re8",
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"spacegroup": 194
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{
"id": "jvasp-18775",
"created_at": "2022-09-04T14:36:36.490922Z",
"updated_at": "2022-09-04T14:36:36.490959Z",
"structure_string": "Th4 Pd4\n1.0\n4.572434 0.000000 0.000000\n0.000000 5.889743 0.000000\n0.000000 0.000000 7.342872\nTh Pd\n4 4\ndirect\n0.250000 0.140204 0.179295 Th\n0.749999 0.859796 0.820705 Th\n0.749999 0.640203 0.320705 Th\n0.250000 0.359796 0.679295 Th\n0.250000 0.649924 0.047021 Pd\n0.749999 0.350076 0.952979 Pd\n0.749999 0.149924 0.452979 Pd\n0.250000 0.850075 0.547021 Pd\n",
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{
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"structure_string": "Th4 Pd2\n1.0\n5.188549 0.000000 2.968122\n2.594275 5.205585 1.484060\n0.009457 -0.000000 6.002559\nTh Pd\n4 2\ndirect\n0.162257 0.500000 0.175486 Th\n0.337745 0.824514 0.499999 Th\n0.662257 0.175487 0.500000 Th\n0.837745 0.500000 0.824513 Th\n0.250000 -0.000000 -0.000000 Pd\n0.750000 -0.000000 -0.000000 Pd\n",
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{
"id": "jvasp-93615",
"created_at": "2022-09-04T14:36:31.207251Z",
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"structure_string": "Th4 Pd2\n1.0\n0.000000 0.000000 -5.977778\n-3.680842 3.680842 -2.988889\n3.680842 3.680842 -2.988889\nTh Pd\n4 2\ndirect\n0.337759 0.500000 0.824483 Th\n0.662242 0.500000 0.175516 Th\n0.837759 0.824483 0.500000 Th\n0.162242 0.175516 0.500000 Th\n0.750000 0.000000 0.000000 Pd\n0.250000 0.000000 0.000000 Pd\n",
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{
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"created_at": "2022-09-04T14:35:41.391400Z",
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"structure_string": "Th4 Pd12\n1.0\n5.931223 0.000000 0.000000\n-2.965611 5.136590 0.000000\n-0.000000 0.000000 9.934022\nTh Pd\n4 12\ndirect\n0.000000 0.000000 0.500000 Th\n0.666667 0.333333 0.750000 Th\n0.333333 0.666667 0.250000 Th\n0.000000 0.000000 0.000000 Th\n0.174446 0.825554 0.750000 Pd\n0.651107 0.825554 0.750000 Pd\n0.000000 0.500000 0.000000 Pd\n0.500000 0.500000 0.000000 Pd\n0.825554 0.651107 0.250000 Pd\n0.348893 0.174446 0.250000 Pd\n0.174446 0.348893 0.750000 Pd\n0.500000 0.500000 0.500000 Pd\n0.500000 -0.000000 0.500000 Pd\n0.825554 0.174446 0.250000 Pd\n0.500000 -0.000000 0.000000 Pd\n0.000000 0.500000 0.500000 Pd\n",
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{
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"created_at": "2022-09-04T14:36:20.987500Z",
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"structure_string": "Th4 Pd12\n1.0\n5.931213 0.000000 -0.000000\n-2.965606 5.136581 0.000000\n0.000000 0.000000 9.933872\nTh Pd\n4 12\ndirect\n0.000000 0.000000 0.500000 Th\n0.666666 0.333333 0.750000 Th\n0.333332 0.666667 0.250000 Th\n0.000000 0.000000 0.000000 Th\n0.174447 0.825552 0.750000 Pd\n0.651103 0.825552 0.750000 Pd\n-0.000000 0.500000 0.000000 Pd\n0.499999 0.500000 0.000000 Pd\n0.825551 0.651103 0.250000 Pd\n0.348896 0.174448 0.250000 Pd\n0.174447 0.348896 0.750000 Pd\n0.499999 0.500000 0.500000 Pd\n0.500000 -0.000000 0.500000 Pd\n0.825552 0.174448 0.250000 Pd\n0.500000 -0.000000 0.000000 Pd\n-0.000000 0.500000 0.500000 Pd\n",
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]
}