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{
"id": "jvasp-55793",
"created_at": "2022-09-04T14:38:00.749919Z",
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"structure_string": "Dy4 Mn4 O12\n1.0\n5.270462 0.000000 0.000000\n-0.000000 5.661146 0.000000\n0.000000 0.000000 7.559500\nDy Mn O\n4 4 12\ndirect\n0.019318 0.925293 0.750000 Dy\n0.519318 0.574708 0.250000 Dy\n0.480682 0.425293 0.750000 Dy\n0.980682 0.074708 0.250000 Dy\n0.500000 0.000000 0.500000 Mn\n0.000000 0.500000 0.500000 Mn\n0.000000 0.500000 0.000000 Mn\n0.500000 0.000000 0.000000 Mn\n0.608723 0.034809 0.750000 O\n0.108723 0.465191 0.250000 O\n0.695983 0.309024 0.054790 O\n0.195983 0.190976 0.945210 O\n0.804016 0.809024 0.445210 O\n0.195983 0.190976 0.554789 O\n0.304017 0.690977 0.945210 O\n0.804016 0.809024 0.054790 O\n0.891277 0.534809 0.750000 O\n0.695983 0.309024 0.445210 O\n0.304017 0.690977 0.554789 O\n0.391277 0.965192 0.250000 O\n",
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{
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"structure_string": "La1 Au1 O2\n1.0\n-3.701409 0.000000 1.178384\n-2.038280 3.306725 0.000000\n-3.696465 0.003048 -5.208505\nLa Au O\n1 1 2\ndirect\n0.000000 0.000000 0.000000 La\n0.499998 0.500001 0.500000 Au\n0.612231 0.612233 0.163306 O\n0.387766 0.387770 0.836694 O\n",
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{
"id": "jvasp-73889",
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"updated_at": "2022-09-04T14:36:05.231292Z",
"structure_string": "Be1 Sn2 Mo1\n1.0\n3.619384 0.000000 -0.000000\n0.000000 3.619384 0.000000\n0.000000 0.000000 5.551719\nBe Sn Mo\n1 2 1\ndirect\n0.000000 0.000000 0.513118 Be\n0.000000 0.000000 0.965137 Sn\n0.499999 0.499999 0.275704 Sn\n0.499999 0.499999 0.746042 Mo\n",
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{
"id": "jvasp-88807",
"created_at": "2022-09-04T14:36:20.722688Z",
"updated_at": "2022-09-04T14:36:20.722711Z",
"structure_string": "Sr2 Ta2 N2 O4\n1.0\n4.974272 -0.164376 -2.997126\n-3.349974 4.742994 0.187714\n-0.115975 0.164262 5.806319\nSr Ta N O\n2 2 2 4\ndirect\n0.499990 0.255515 0.755492 Sr\n0.500022 0.755513 0.255519 Sr\n-0.000007 0.017005 0.017010 Ta\n-0.000002 0.517007 0.517015 Ta\n-0.000015 0.240416 0.240399 N\n0.000014 0.740415 0.740427 N\n0.102463 0.294751 0.794755 O\n0.499994 0.794750 0.692298 O\n0.897532 0.692304 0.192304 O\n0.500000 0.192317 0.294770 O\n",
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"formula_full": "Sr2 Ta2 N2 O4",
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{
"id": "jvasp-70864",
"created_at": "2022-09-04T14:36:11.405173Z",
"updated_at": "2022-09-04T14:36:11.405196Z",
"structure_string": "Hf1 Be2 V1\n1.0\n2.706672 -3.420396 0.000000\n2.706672 3.420396 0.000000\n0.000000 0.000000 2.838778\nHf Be V\n1 2 1\ndirect\n0.500000 -0.000000 0.500000 Hf\n0.000000 0.000000 0.000000 Be\n0.500000 0.500000 0.000000 Be\n-0.000000 0.500000 0.500000 V\n",
"nsites": 4,
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{
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"created_at": "2022-09-04T14:35:47.166543Z",
"updated_at": "2022-09-04T14:35:47.166571Z",
"structure_string": "Sr2 Mn2 Bi4\n1.0\n4.550579 -0.000000 -0.883904\n-0.171689 4.547339 -0.883904\n-0.116863 -0.121359 11.554118\nSr Mn Bi\n2 2 4\ndirect\n0.879635 0.879634 0.759270 Sr\n0.120366 0.120366 0.240731 Sr\n0.250000 0.750000 0.500000 Mn\n0.750000 0.250000 0.500000 Mn\n0.500000 0.000000 0.000000 Bi\n-0.000000 0.500000 0.000000 Bi\n0.323556 0.323555 0.647110 Bi\n0.676445 0.676445 0.352891 Bi\n",
"nsites": 8,
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"density": 7.817817205756454,
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"volume": 238.11338003724765,
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"formula_full": "Sr2 Mn2 Bi4",
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{
"id": "jvasp-56253",
"created_at": "2022-09-04T14:37:18.414107Z",
"updated_at": "2022-09-04T14:37:18.414131Z",
"structure_string": "Nb6 Sb4 Te10\n1.0\n8.125953 -0.000000 -2.872958\n-4.062977 7.037282 -2.872958\n0.000000 0.000000 8.618875\nNb Sb Te\n6 4 10\ndirect\n-0.000000 0.342825 0.342824 Nb\n0.342825 -0.000000 0.342824 Nb\n0.657175 -0.000000 0.657175 Nb\n0.657175 0.657175 -0.000001 Nb\n0.342824 0.342825 -0.000000 Nb\n-0.000000 0.657175 0.657175 Nb\n0.667735 0.667735 0.667734 Sb\n-0.000000 -0.000000 0.332265 Sb\n0.332265 0.000000 -0.000000 Sb\n-0.000000 0.332265 -0.000000 Sb\n0.250000 0.500000 0.749999 Te\n0.326102 0.326102 0.326101 Te\n0.250000 0.750000 0.499999 Te\n-0.000000 0.673898 -0.000000 Te\n0.499999 0.750000 0.249999 Te\n0.750000 0.250000 0.499999 Te\n0.500000 0.250000 0.749999 Te\n0.673898 0.000000 -0.000000 Te\n-0.000000 -0.000000 0.673898 Te\n0.750000 0.500000 0.249999 Te\n",
"nsites": 20,
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"elements": [
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],
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"density": 7.8180197353413545,
"density_atomic": 0.040578889044334286,
"volume": 492.8671156607833,
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"formula_full": "Nb6 Sb4 Te10",
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{
"id": "jvasp-62965",
"created_at": "2022-09-04T14:36:15.673399Z",
"updated_at": "2022-09-04T14:36:15.673426Z",
"structure_string": "Co10 B4 P2\n1.0\n-2.645961 2.645961 5.267250\n2.645961 -2.645961 5.267250\n2.645961 2.645961 -5.267250\nCo B P\n10 4 2\ndirect\n0.000000 0.000000 0.000000 Co\n0.500000 0.500000 0.000000 Co\n0.811025 0.311026 0.840441 Co\n0.470585 0.970584 0.159559 Co\n0.311026 0.470584 0.500000 Co\n0.970584 0.811026 0.500000 Co\n0.029415 0.188974 0.500000 Co\n0.688974 0.529415 0.500000 Co\n0.529415 0.029415 0.840441 Co\n0.188974 0.688974 0.159559 Co\n0.877429 0.377430 0.254858 B\n0.122570 0.622570 0.745141 B\n0.377429 0.122570 0.500000 B\n0.622570 0.877429 0.500000 B\n0.250000 0.250000 0.000000 P\n0.750000 0.750000 0.000000 P\n",
"nsites": 16,
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{
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"created_at": "2022-09-04T14:36:47.415605Z",
"updated_at": "2022-09-04T14:36:47.415617Z",
"structure_string": "Ac1 Te3\n1.0\n-2.354406 2.354406 5.841000\n2.354406 -2.354406 5.841000\n2.354406 2.354406 -5.841000\nAc Te\n1 3\ndirect\n0.000000 0.000000 0.000000 Ac\n0.750001 0.250000 0.500000 Te\n0.250000 0.750001 0.500000 Te\n0.500000 0.500000 0.000000 Te\n",
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{
"id": "jvasp-22947",
"created_at": "2022-09-04T14:37:56.579525Z",
"updated_at": "2022-09-04T14:37:56.579552Z",
"structure_string": "Nd6 Os2 O14\n1.0\n6.655169 -0.007197 -0.000000\n-2.429978 6.195686 0.000000\n0.000000 0.000000 7.574363\nNd Os O\n6 2 14\ndirect\n0.530499 0.079229 0.250000 Nd\n0.469501 0.920771 0.750000 Nd\n0.079229 0.530499 0.250000 Nd\n0.920770 0.469501 0.750000 Nd\n0.000000 0.000000 0.500000 Nd\n0.000000 0.000000 0.000000 Nd\n0.500000 0.500000 0.500000 Os\n0.500000 0.500000 0.000000 Os\n0.435141 0.184463 0.535296 O\n0.564858 0.815538 0.035296 O\n0.815537 0.564858 0.035296 O\n0.556559 0.556559 0.750000 O\n0.435141 0.184463 0.964703 O\n0.815537 0.564858 0.464704 O\n0.184463 0.435142 0.964703 O\n0.159519 0.896884 0.250000 O\n0.840480 0.103116 0.750000 O\n0.896883 0.159519 0.250000 O\n0.103117 0.840481 0.750000 O\n0.443441 0.443441 0.250000 O\n0.564858 0.815538 0.464704 O\n0.184463 0.435142 0.535296 O\n",
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{
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"structure_string": "Hf4 Cr8 Si10\n1.0\n6.894786 -0.006384 -6.094302\n-0.600598 4.714926 -7.879554\n0.004892 0.006384 9.202096\nHf Cr Si\n4 8 10\ndirect\n0.737770 0.358491 0.379280 Hf\n0.262230 0.641509 0.620722 Hf\n0.979213 0.858492 0.120724 Hf\n0.020787 0.141509 0.879278 Hf\n0.189908 0.438167 0.751741 Cr\n0.686426 0.938167 0.748261 Cr\n0.313574 0.061833 0.251741 Cr\n0.810092 0.561834 0.248261 Cr\n0.692176 0.942177 0.250002 Cr\n0.692176 0.442177 0.750001 Cr\n0.307824 0.557824 0.250001 Cr\n0.307824 0.057823 0.750000 Cr\n0.361748 0.935398 0.426352 Si\n0.418997 0.210608 0.208389 Si\n0.581003 0.789393 0.791613 Si\n0.002219 0.710608 0.291612 Si\n0.997782 0.289393 0.708390 Si\n-0.000000 0.250000 0.250000 Si\n-0.000000 0.750000 0.750001 Si\n0.509047 0.435398 0.073650 Si\n0.490953 0.564602 0.926352 Si\n0.638252 0.064602 0.573650 Si\n",
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{
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"structure_string": "Tb7 O12\n1.0\n6.534622 -0.015295 -1.087743\n-1.281306 6.407790 -1.087743\n-0.012569 -0.015294 6.624523\nTb O\n7 12\ndirect\n0.000000 0.000000 0.000000 Tb\n0.301380 0.138605 0.608305 Tb\n0.608305 0.301381 0.138604 Tb\n0.861395 0.391696 0.698620 Tb\n0.698619 0.861397 0.391695 Tb\n0.391694 0.698621 0.861396 Tb\n0.138604 0.608305 0.301380 Tb\n0.062936 0.935426 0.326041 O\n0.935426 0.326041 0.062937 O\n0.179063 0.436028 0.578467 O\n0.064573 0.673960 0.937064 O\n0.326041 0.062937 0.935426 O\n0.421532 0.820937 0.563972 O\n0.563972 0.421534 0.820937 O\n0.820936 0.563973 0.421533 O\n0.578467 0.179064 0.436028 O\n0.436027 0.578468 0.179064 O\n0.937064 0.064575 0.673960 O\n0.673959 0.937064 0.064574 O\n",
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]
}