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{
"id": "jvasp-85913",
"created_at": "2022-09-04T14:35:46.853305Z",
"updated_at": "2022-09-04T14:35:46.853335Z",
"structure_string": "Li4 B4 Ir4\n1.0\n5.333691 -0.006469 -1.555629\n-2.674103 4.614917 -1.555629\n-0.003222 -0.005583 6.094405\nLi B Ir\n4 4 4\ndirect\n0.500000 0.500000 -0.000000 Li\n0.500000 0.000000 0.500000 Li\n0.500001 0.500000 0.500001 Li\n0.000000 0.500000 0.000000 Li\n0.948432 0.051569 0.750001 B\n0.698431 0.301569 0.250000 B\n0.301570 0.698432 0.750001 B\n0.051570 0.948432 0.250000 B\n0.258542 0.008542 0.017084 Ir\n0.741459 0.991459 0.982917 Ir\n0.008543 0.258543 0.517085 Ir\n0.991459 0.741458 0.482916 Ir\n",
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{
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"structure_string": "Li4 Co6 Sb2 O16\n1.0\n2.874343 -4.978508 0.000000\n2.874343 4.978508 -0.000000\n0.000000 -0.000000 9.380051\nLi Co Sb O\n4 6 2 16\ndirect\n0.666667 0.333332 0.099788 Li\n0.000000 0.000000 0.005231 Li\n0.000000 0.000000 0.505230 Li\n0.333332 0.666667 0.599788 Li\n0.169610 0.339220 0.284412 Co\n0.169610 0.830389 0.284412 Co\n0.660779 0.830389 0.284412 Co\n0.830389 0.660779 0.784412 Co\n0.339221 0.169610 0.784412 Co\n0.830389 0.169610 0.784412 Co\n0.666667 0.333332 0.508061 Sb\n0.333332 0.666667 0.008061 Sb\n0.158688 0.841311 0.900699 O\n0.158688 0.317377 0.900699 O\n0.333332 0.666667 0.387269 O\n0.483824 0.967648 0.166183 O\n0.032351 0.516175 0.166183 O\n0.841310 0.158689 0.400699 O\n0.967648 0.483824 0.666183 O\n0.516175 0.483824 0.666183 O\n0.841310 0.682621 0.400699 O\n0.000000 0.000000 0.191844 O\n0.000000 0.000000 0.691844 O\n0.666667 0.333332 0.887269 O\n0.483824 0.516175 0.166183 O\n0.317378 0.158689 0.400699 O\n0.516175 0.032351 0.666183 O\n0.682622 0.841311 0.900699 O\n",
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"formula_full": "Li4 Co6 Sb2 O16",
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{
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"created_at": "2022-09-04T14:36:04.151084Z",
"updated_at": "2022-09-04T14:36:04.151107Z",
"structure_string": "Li4 B4 Ir4\n1.0\n0.000000 4.623038 5.257788\n3.081875 0.000000 5.257788\n3.081875 4.623038 0.000000\nLi B Ir\n4 4 4\ndirect\n0.500001 0.499999 0.499999 Li\n0.000001 0.499999 0.499999 Li\n0.000000 0.500000 -0.000000 Li\n0.000000 -0.000000 0.500000 Li\n0.198445 0.051555 0.698444 B\n0.551556 0.698444 0.051555 B\n0.801557 0.948444 0.301554 B\n0.448446 0.301554 0.948444 B\n0.508548 0.008547 0.741452 Ir\n0.241453 0.741452 0.008547 Ir\n0.491454 0.991452 0.258546 Ir\n0.758549 0.258546 0.991452 Ir\n",
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"elements": [
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"volume": 149.82198599130484,
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"formula_full": "Li4 B4 Ir4",
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"spacegroup": 70
},
{
"id": "jvasp-12090",
"created_at": "2022-09-04T14:37:04.412282Z",
"updated_at": "2022-09-04T14:37:04.412305Z",
"structure_string": "Nb2 Cr2 Se10\n1.0\n3.552150 0.000000 0.000000\n0.000000 8.291907 -4.067649\n0.000000 -0.071740 10.485808\nNb Cr Se\n2 2 10\ndirect\n0.750000 0.734959 0.637685 Nb\n0.250000 0.265041 0.362315 Nb\n0.250000 0.573961 0.897769 Cr\n0.750000 0.426039 0.102231 Cr\n0.750000 0.480964 0.363938 Se\n0.250000 0.638145 0.152117 Se\n0.250000 0.519036 0.636062 Se\n0.750000 0.163756 0.497448 Se\n0.250000 0.836244 0.502552 Se\n0.250000 0.977082 0.759056 Se\n0.250000 0.223028 0.084297 Se\n0.750000 0.022919 0.240944 Se\n0.750000 0.776972 0.915703 Se\n0.750000 0.361855 0.847883 Se\n",
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{
"id": "jvasp-39135",
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"structure_string": "Sc2 Os1 Au1\n1.0\n0.000000 3.291862 3.291862\n3.291862 -0.000000 3.291862\n3.291862 3.291862 -0.000000\nSc Os Au\n2 1 1\ndirect\n0.000000 0.000000 0.000000 Sc\n0.499999 0.499999 0.499999 Sc\n0.749999 0.749999 0.749999 Os\n0.250000 0.250000 0.250000 Au\n",
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{
"id": "jvasp-119209",
"created_at": "2022-09-04T14:38:53.220225Z",
"updated_at": "2022-09-04T14:38:53.220250Z",
"structure_string": "Ca3 Y1 Ti4 O12\n1.0\n7.668237 -0.000000 0.000000\n0.000000 5.365221 0.017141\n-0.000000 -0.001597 5.519443\nCa Y Ti O\n3 1 4 12\ndirect\n0.500000 0.488817 0.549807 Ca\n-0.000000 0.990997 0.953597 Ca\n-0.000000 0.511561 0.449863 Ca\n0.500000 0.012369 0.060524 Y\n0.248302 0.998206 0.503327 Ti\n0.751712 0.502667 0.998717 Ti\n0.751698 0.998206 0.503327 Ti\n0.248288 0.502667 0.998717 Ti\n0.299728 0.290129 0.287704 O\n0.699371 0.198136 0.799569 O\n0.700273 0.290129 0.287704 O\n0.300630 0.198136 0.799569 O\n0.206648 0.701428 0.703698 O\n0.500000 0.915365 0.472084 O\n-0.000000 0.084556 0.523784 O\n-0.000000 0.420097 0.022533 O\n0.211616 0.798692 0.203173 O\n0.500000 0.597714 0.975428 O\n0.788384 0.798692 0.203173 O\n0.793352 0.701428 0.703698 O\n",
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"density_atomic": 0.08807470530040386,
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"formula_full": "Ca3 Y1 Ti4 O12",
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{
"id": "jvasp-109022",
"created_at": "2022-09-04T14:37:47.512799Z",
"updated_at": "2022-09-04T14:37:47.512818Z",
"structure_string": "Ba2 Tc2 O5\n1.0\n3.962848 -0.000000 0.000000\n0.000000 3.962848 0.000000\n-0.000000 -0.000000 8.398183\nBa Tc O\n2 2 5\ndirect\n0.000000 0.000000 0.000000 Ba\n0.000000 0.000000 0.500000 Ba\n0.500000 0.500000 0.242284 Tc\n0.500000 0.500000 0.757716 Tc\n0.500000 0.000000 0.237229 O\n0.500000 0.000000 0.762771 O\n-0.000000 0.500000 0.237229 O\n-0.000000 0.500000 0.762771 O\n0.500000 0.500000 0.500000 O\n",
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"volume": 131.88644541079302,
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"formula_full": "Ba2 Tc2 O5",
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"formula_anonymous": "A2B2C5",
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},
{
"id": "jvasp-46808",
"created_at": "2022-09-04T14:38:07.236701Z",
"updated_at": "2022-09-04T14:38:07.236721Z",
"structure_string": "Li2 Co2 Si4 O12\n1.0\n6.357326 -0.005572 -0.017530\n-0.718914 6.316549 0.017530\n-1.383235 1.235823 4.939165\nLi Co Si O\n2 2 4 12\ndirect\n0.259541 0.259541 0.250000 Li\n0.740460 0.740459 0.750001 Li\n0.084397 0.084397 0.750001 Co\n0.915603 0.915602 0.250000 Co\n0.204834 0.606686 0.754269 Si\n0.393314 0.795166 0.254268 Si\n0.606687 0.204834 0.745733 Si\n0.795166 0.393313 0.245732 Si\n0.803086 0.024398 0.860045 O\n0.638867 0.358842 0.454600 O\n0.637313 0.902794 0.324273 O\n0.641158 0.361133 0.954601 O\n0.358842 0.638867 0.045400 O\n0.097206 0.362688 0.824274 O\n0.361134 0.641158 0.545401 O\n0.196915 0.975602 0.139956 O\n0.902794 0.637312 0.175727 O\n0.024399 0.803085 0.639957 O\n0.362688 0.097206 0.675728 O\n0.975602 0.196915 0.360044 O\n",
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"elements": [
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"density_atomic": 0.10098769563283287,
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"formula_full": "Li2 Co2 Si4 O12",
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{
"id": "jvasp-97755",
"created_at": "2022-09-04T14:35:57.356603Z",
"updated_at": "2022-09-04T14:35:57.356627Z",
"structure_string": "Ce8 Si8 O28\n1.0\n5.444812 0.000000 -0.016665\n0.000000 8.726731 0.000000\n0.005943 0.000000 13.065014\nCe Si O\n8 8 28\ndirect\n0.740107 0.897134 0.090150 Ce\n0.248442 0.694742 0.269904 Ce\n0.240107 0.602866 0.590150 Ce\n0.751557 0.305257 0.730095 Ce\n0.259892 0.102866 0.909849 Ce\n0.759892 0.397134 0.409849 Ce\n0.251558 0.194743 0.230096 Ce\n0.748442 0.805257 0.769904 Ce\n0.729428 0.249572 0.024130 Si\n0.228831 0.500492 0.822433 Si\n0.728831 0.999508 0.322433 Si\n0.770572 0.749572 0.475869 Si\n0.271168 0.000492 0.677566 Si\n0.229427 0.250428 0.524130 Si\n0.771168 0.499508 0.177566 Si\n0.270572 0.750428 0.975869 Si\n0.477442 0.523609 0.752423 O\n0.983368 0.157385 0.053950 O\n0.483368 0.342615 0.553950 O\n0.767246 0.927644 0.437213 O\n0.839304 0.739525 0.596545 O\n0.645761 0.178052 0.328028 O\n0.732754 0.427644 0.062787 O\n0.160696 0.260475 0.403454 O\n0.354238 0.821948 0.671971 O\n0.502818 0.917775 0.260047 O\n0.522557 0.476391 0.247576 O\n0.145761 0.321948 0.828028 O\n0.493068 0.852302 0.920848 O\n0.497181 0.082225 0.739953 O\n0.854239 0.678052 0.171971 O\n0.660695 0.239525 0.903454 O\n0.997182 0.417775 0.239953 O\n0.267246 0.572356 0.937213 O\n0.977442 0.976391 0.252423 O\n0.506931 0.147698 0.079152 O\n0.016631 0.842615 0.946050 O\n0.339304 0.760475 0.096546 O\n0.993068 0.647698 0.420848 O\n0.006931 0.352302 0.579152 O\n0.002818 0.582225 0.760047 O\n0.232753 0.072356 0.562787 O\n0.516631 0.657385 0.446050 O\n0.022557 0.023609 0.747576 O\n",
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{
"id": "jvasp-42959",
"created_at": "2022-09-04T14:35:54.893033Z",
"updated_at": "2022-09-04T14:35:54.893064Z",
"structure_string": "Li4 Mn3 Sb1 O8\n1.0\n6.027577 -0.012922 -0.011768\n2.876177 5.297330 -0.011743\n2.879935 1.709712 5.012933\nLi Mn Sb O\n4 3 1 8\ndirect\n0.500001 0.500000 0.500000 Li\n0.000000 0.500000 0.000000 Li\n0.500000 0.000000 -0.000000 Li\n0.000001 -0.000000 0.500000 Li\n0.500001 0.000000 0.499999 Mn\n0.000001 0.500000 0.500000 Mn\n0.500000 0.500000 0.000000 Mn\n0.000000 0.000000 0.000000 Sb\n0.265025 0.265090 0.265216 O\n0.763672 0.230520 0.763699 O\n0.230515 0.763691 0.763712 O\n0.734977 0.734910 0.734783 O\n0.763630 0.763634 0.230543 O\n0.236330 0.769481 0.236301 O\n0.769487 0.236309 0.236287 O\n0.236372 0.236366 0.769456 O\n",
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{
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"created_at": "2022-09-04T14:37:07.748694Z",
"updated_at": "2022-09-04T14:37:07.748723Z",
"structure_string": "Nb4 Sb4 O16\n1.0\n5.033763 0.000000 0.000000\n0.000000 5.660241 0.000000\n0.000000 0.000000 11.926618\nNb Sb O\n4 4 16\ndirect\n0.750000 0.136774 0.250000 Nb\n0.750000 0.363226 0.750000 Nb\n0.250000 0.863226 0.750000 Nb\n0.250000 0.636774 0.250000 Nb\n0.802009 0.750000 0.000000 Sb\n0.697990 0.750000 0.500000 Sb\n0.197990 0.250000 0.000000 Sb\n0.302009 0.250000 0.500000 Sb\n0.919630 0.077835 0.095138 O\n0.919630 0.422165 0.904862 O\n0.419630 0.922165 0.595139 O\n0.419630 0.577835 0.404862 O\n0.080370 0.922165 0.904862 O\n0.080370 0.577835 0.095138 O\n0.009310 0.347683 0.304320 O\n0.990689 0.652316 0.695680 O\n0.490690 0.347683 0.195680 O\n0.490690 0.152317 0.804320 O\n0.580369 0.422165 0.595139 O\n0.990689 0.847683 0.304320 O\n0.509310 0.652316 0.804320 O\n0.509310 0.847683 0.195680 O\n0.009310 0.152317 0.695680 O\n0.580369 0.077835 0.404862 O\n",
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{
"id": "jvasp-114146",
"created_at": "2022-09-04T14:38:40.410327Z",
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"structure_string": "Pb1 C1 O2\n1.0\n4.202093 0.000000 0.000000\n0.000000 4.202093 0.000000\n0.000000 0.000000 4.090159\nPb C O\n1 1 2\ndirect\n0.500000 0.500000 0.673120 Pb\n0.000000 0.000000 0.935615 C\n0.000000 0.000000 0.224043 O\n0.500000 0.500000 0.177223 O\n",
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}
]
}