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{
"id": "jvasp-45310",
"created_at": "2022-09-04T14:38:28.994369Z",
"updated_at": "2022-09-04T14:38:28.994395Z",
"structure_string": "Ca4 Al8 O16\n1.0\n2.892917 -0.000000 0.000000\n0.000000 8.966482 0.000000\n0.000000 0.000000 10.386326\nCa Al O\n4 8 16\ndirect\n0.250000 0.742198 0.155427 Ca\n0.750001 0.257802 0.844574 Ca\n0.250000 0.242198 0.344573 Ca\n0.750001 0.757802 0.655427 Ca\n0.750001 0.438004 0.611246 Al\n0.250000 0.561996 0.388754 Al\n0.250000 0.061996 0.111246 Al\n0.750001 0.938004 0.888755 Al\n0.250000 0.581713 0.896891 Al\n0.750001 0.918287 0.396891 Al\n0.250000 0.081713 0.603110 Al\n0.750001 0.418287 0.103110 Al\n0.250000 0.385571 0.980355 O\n0.250000 0.796434 0.845973 O\n0.750001 0.203566 0.154028 O\n0.750001 0.114429 0.480355 O\n0.250000 0.885571 0.519645 O\n0.750001 0.614429 0.019645 O\n0.750001 0.526035 0.784321 O\n0.750001 0.922407 0.071833 O\n0.750001 0.026035 0.715679 O\n0.250000 0.973965 0.284321 O\n0.750001 0.422407 0.428167 O\n0.250000 0.577592 0.571834 O\n0.750001 0.703566 0.345973 O\n0.250000 0.077593 0.928167 O\n0.250000 0.473965 0.215679 O\n0.250000 0.296434 0.654028 O\n",
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{
"id": "jvasp-36477",
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"structure_string": "Sr3 Sb1 As1\n1.0\n5.807229 0.000000 -0.000000\n-0.000000 5.807229 0.000000\n0.000000 0.000000 5.807229\nSr Sb As\n3 1 1\ndirect\n0.000000 0.500000 0.500000 Sr\n0.500000 0.000000 0.500000 Sr\n0.500000 0.500000 0.000000 Sr\n0.000000 0.000000 0.000000 Sb\n0.500000 0.500000 0.500000 As\n",
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},
{
"id": "jvasp-105070",
"created_at": "2022-09-04T14:36:51.984184Z",
"updated_at": "2022-09-04T14:36:51.984210Z",
"structure_string": "Na2 Al1 Hg1 Br6\n1.0\n6.654774 -0.000000 3.842136\n2.218258 6.274181 3.842136\n-0.000000 -0.000000 7.684271\nNa Al Hg Br\n2 1 1 6\ndirect\n0.750000 0.750000 0.750001 Na\n0.250000 0.250000 0.250000 Na\n0.000000 0.000000 0.000000 Al\n0.500000 0.500000 0.500001 Hg\n0.767789 0.232211 0.232212 Br\n0.232211 0.232211 0.767789 Br\n0.232211 0.767789 0.767789 Br\n0.232211 0.767789 0.232212 Br\n0.767789 0.232211 0.767790 Br\n0.767789 0.767789 0.232212 Br\n",
"nsites": 10,
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"elements": [
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{
"id": "jvasp-110666",
"created_at": "2022-09-04T14:38:50.090125Z",
"updated_at": "2022-09-04T14:38:50.090135Z",
"structure_string": "Na2 In1 Cu1 Br6\n1.0\n6.506439 -0.000000 3.756495\n2.168813 6.134330 3.756495\n-0.000000 -0.000000 7.512989\nNa In Cu Br\n2 1 1 6\ndirect\n0.750000 0.750000 0.749999 Na\n0.250000 0.250000 0.250000 Na\n0.000000 0.000000 0.000000 In\n0.500000 0.500000 0.500000 Cu\n0.744333 0.255667 0.255666 Br\n0.255667 0.255667 0.744333 Br\n0.255667 0.744333 0.744333 Br\n0.255667 0.744333 0.255667 Br\n0.744333 0.255667 0.744333 Br\n0.744333 0.744333 0.255666 Br\n",
"nsites": 10,
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{
"id": "jvasp-67477",
"created_at": "2022-09-04T14:35:40.823555Z",
"updated_at": "2022-09-04T14:35:40.823576Z",
"structure_string": "Be2 V1 Br1\n1.0\n2.888615 0.000000 0.000000\n0.000000 2.888615 -0.000000\n0.000000 -0.000000 7.601483\nBe V Br\n2 1 1\ndirect\n0.000000 0.000000 0.008526 Be\n0.500001 0.500001 0.119166 Be\n0.500001 0.500001 0.791673 V\n0.000000 0.000000 0.580635 Br\n",
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{
"id": "jvasp-9457",
"created_at": "2022-09-04T14:38:09.432298Z",
"updated_at": "2022-09-04T14:38:09.432312Z",
"structure_string": "Ca4 Cr4 O8\n1.0\n3.068958 0.003986 0.004884\n-0.011000 8.151933 0.061724\n-0.012580 -0.905185 8.444733\nCa Cr O\n4 4 8\ndirect\n0.751979 0.931490 0.334953 Ca\n0.251983 0.088591 0.693249 Ca\n0.751995 0.195995 0.055228 Ca\n0.251974 0.824092 0.972974 Ca\n0.752009 0.728325 0.622933 Cr\n0.251945 0.562193 0.213081 Cr\n0.752025 0.457899 0.815131 Cr\n0.251959 0.291744 0.405263 Cr\n0.751967 0.186678 0.511278 O\n0.252021 0.615831 0.750467 O\n0.751940 0.404261 0.277743 O\n0.252002 0.833392 0.516911 O\n0.751983 0.973393 0.848217 O\n0.751953 0.695762 0.140945 O\n0.251977 0.046696 0.179981 O\n0.252017 0.324320 0.887255 O\n",
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"spacegroup": 11
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{
"id": "jvasp-118376",
"created_at": "2022-09-04T14:38:50.940497Z",
"updated_at": "2022-09-04T14:38:50.940513Z",
"structure_string": "Ca1 Al2 Sb2\n1.0\n2.164747 1.249817 8.859333\n-2.164747 1.249817 8.859333\n0.000000 -2.499635 8.859333\nCa Al Sb\n1 2 2\ndirect\n0.000000 0.000000 0.000000 Ca\n0.451957 0.451957 0.451953 Al\n0.548046 0.548046 0.548041 Al\n0.256981 0.256981 0.256979 Sb\n0.743022 0.743022 0.743016 Sb\n",
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"spacegroup": 166
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{
"id": "jvasp-13308",
"created_at": "2022-09-04T14:36:51.701810Z",
"updated_at": "2022-09-04T14:36:51.701833Z",
"structure_string": "Y4 Cd2 S8\n1.0\n7.959537 -0.000000 -0.000000\n3.979769 6.893161 0.000000\n3.979769 2.297720 6.498935\nY Cd S\n4 2 8\ndirect\n0.000000 0.500000 0.500000 Y\n0.500000 0.500000 0.000000 Y\n0.500000 0.000000 0.500000 Y\n0.500001 0.500000 0.500000 Y\n0.125000 0.125000 0.125000 Cd\n0.875001 0.875000 0.874999 Cd\n0.742846 0.742846 0.742845 S\n0.728536 0.257154 0.257154 S\n0.257155 0.257155 0.728535 S\n0.742846 0.271464 0.742845 S\n0.257155 0.728536 0.257154 S\n0.742846 0.742845 0.271464 S\n0.257155 0.257154 0.257154 S\n0.271465 0.742846 0.742845 S\n",
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{
"id": "jvasp-94157",
"created_at": "2022-09-04T14:36:17.852804Z",
"updated_at": "2022-09-04T14:36:17.852821Z",
"structure_string": "Hf1 Mg6 Cu1\n1.0\n6.349159 -0.156630 0.000000\n-3.310226 5.420217 0.000000\n0.000000 0.000000 4.875069\nHf Mg Cu\n1 6 1\ndirect\n0.312353 0.187647 0.750000 Hf\n0.176719 0.836686 0.250000 Mg\n0.663314 0.323281 0.250000 Mg\n0.676774 0.823226 0.250000 Mg\n0.321606 0.672123 0.750000 Mg\n0.827877 0.178395 0.750000 Mg\n0.833686 0.666315 0.750000 Mg\n0.187672 0.312328 0.250000 Cu\n",
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"volume": 165.24211566785522,
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{
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"created_at": "2022-09-04T14:35:56.693603Z",
"updated_at": "2022-09-04T14:35:56.693622Z",
"structure_string": "Te1 Br6 N2\n1.0\n-5.133272 -5.133272 0.000000\n-5.133272 0.000000 -5.133272\n-0.000000 -5.133272 -5.133272\nTe Br N\n1 6 2\ndirect\n0.000000 0.000000 0.000000 Te\n0.743461 0.256539 0.256539 Br\n0.743461 0.256539 0.743461 Br\n0.743461 0.743461 0.256539 Br\n0.256539 0.743461 0.743461 Br\n0.256539 0.743461 0.256539 Br\n0.256539 0.256539 0.743461 Br\n0.250000 0.250000 0.250000 N\n0.750000 0.750000 0.750000 N\n",
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{
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"created_at": "2022-09-04T14:37:56.891185Z",
"updated_at": "2022-09-04T14:37:56.891210Z",
"structure_string": "Al12 Re1\n1.0\n6.184212 -0.000000 -2.186450\n-3.092107 5.355685 -2.186450\n-0.000000 -0.000000 6.559348\nAl Re\n12 1\ndirect\n0.496713 0.307465 0.189247 Al\n0.307464 0.810752 0.118218 Al\n0.189246 0.881781 0.692534 Al\n0.692534 0.810752 0.503286 Al\n0.810753 0.118218 0.307465 Al\n0.692534 0.189247 0.881782 Al\n0.810752 0.503286 0.692535 Al\n0.189246 0.496713 0.307465 Al\n0.307465 0.189247 0.496713 Al\n0.118218 0.307465 0.810753 Al\n0.881781 0.692534 0.189246 Al\n0.503286 0.692534 0.810753 Al\n0.000000 0.000000 0.000000 Re\n",
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{
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"structure_string": "Mo1 O1 F4\n1.0\n-3.136739 3.136739 2.034118\n3.136739 -3.136739 2.034118\n3.136739 3.136739 -2.034118\nMo O F\n1 1 4\ndirect\n0.985325 0.985325 0.000000 Mo\n0.571089 0.571089 0.000000 O\n0.990789 0.353397 0.191936 F\n0.798853 0.990789 0.637392 F\n0.353395 0.161459 0.362607 F\n0.161459 0.798851 0.808062 F\n",
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