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{
"id": "jvasp-35206",
"created_at": "2022-09-04T14:38:07.909873Z",
"updated_at": "2022-09-04T14:38:07.909894Z",
"structure_string": "Zn4 Si4 N8\n1.0\n5.074498 0.000000 0.000000\n0.000000 5.283628 0.000000\n0.000000 0.000000 6.305187\nZn Si N\n4 4 8\ndirect\n0.994226 0.916332 0.375303 Zn\n0.494226 0.083668 0.624697 Zn\n0.494226 0.583669 0.875303 Zn\n0.994226 0.416332 0.124697 Zn\n0.493921 0.572705 0.374913 Si\n0.993921 0.427295 0.625087 Si\n0.993921 0.927295 0.874914 Si\n0.493921 0.072705 0.125087 Si\n0.148580 0.555503 0.401427 N\n0.648580 0.444498 0.598573 N\n0.648580 0.944498 0.901428 N\n0.148580 0.055503 0.098573 N\n0.089274 0.607922 0.847943 N\n0.589274 0.392079 0.152057 N\n0.589274 0.892079 0.347943 N\n0.089274 0.107921 0.652058 N\n",
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{
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"structure_string": "Li4 Fe2 B2 O8\n1.0\n3.599127 3.469928 0.000000\n-3.599127 3.469928 0.000000\n0.000000 0.000000 6.074255\nLi Fe B O\n4 2 2 8\ndirect\n0.307192 0.692809 0.500000 Li\n0.175006 0.175006 0.749999 Li\n0.824995 0.824995 0.250000 Li\n0.692809 0.307192 0.000000 Li\n0.317616 0.682385 0.000000 Fe\n0.682385 0.317616 0.500000 Fe\n0.179863 0.179863 0.250000 B\n0.820137 0.820137 0.749999 B\n0.217690 0.883747 0.244277 O\n0.116254 0.782311 0.755722 O\n0.294785 0.304301 0.046934 O\n0.695700 0.705216 0.953066 O\n0.705216 0.695700 0.546933 O\n0.304301 0.294785 0.453066 O\n0.883747 0.217690 0.255723 O\n0.782311 0.116254 0.744277 O\n",
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"formula_full": "Li4 Fe2 B2 O8",
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{
"id": "jvasp-12536",
"created_at": "2022-09-04T14:38:07.443340Z",
"updated_at": "2022-09-04T14:38:07.443372Z",
"structure_string": "In2 Sn4 Br10\n1.0\n7.453832 0.000000 -3.748111\n-1.884714 7.211621 -3.748111\n-0.024062 -0.031158 9.237887\nIn Sn Br\n2 4 10\ndirect\n0.250000 0.250000 0.500000 In\n0.750000 0.750000 0.500000 In\n0.329250 0.170750 0.000000 Sn\n0.170750 0.670750 0.000000 Sn\n0.670750 0.829250 0.000000 Sn\n0.829250 0.329250 0.000000 Sn\n0.202697 0.702696 0.720823 Br\n0.481874 0.981874 0.279178 Br\n0.797303 0.297303 0.279177 Br\n0.981874 0.797303 0.279178 Br\n0.297304 0.481874 0.279177 Br\n0.018126 0.202696 0.720823 Br\n0.000000 0.000000 0.000000 Br\n0.500000 0.500000 0.000000 Br\n0.518126 0.018126 0.720823 Br\n0.702697 0.518126 0.720823 Br\n",
"nsites": 16,
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{
"id": "jvasp-55128",
"created_at": "2022-09-04T14:38:20.377550Z",
"updated_at": "2022-09-04T14:38:20.377570Z",
"structure_string": "Na2 C8 N6\n1.0\n-3.646891 -0.098110 0.012312\n1.389058 7.572363 0.032950\n-0.225934 -2.460914 -8.867219\nNa C N\n2 8 6\ndirect\n0.169148 0.843723 0.845070 Na\n0.830850 0.156277 0.154930 Na\n0.250053 0.818911 0.202487 C\n0.298000 0.706143 0.293264 C\n0.379673 0.532612 0.226672 C\n0.701998 0.293858 0.706737 C\n0.620325 0.467389 0.773328 C\n0.749945 0.181090 0.797513 C\n0.240059 0.760728 0.449543 C\n0.759939 0.239272 0.550458 C\n0.189877 0.803415 0.579101 N\n0.810121 0.196585 0.420899 N\n0.444872 0.386294 0.172389 N\n0.210944 0.913074 0.125509 N\n0.789054 0.086926 0.874491 N\n0.555127 0.613706 0.827611 N\n",
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{
"id": "jvasp-46001",
"created_at": "2022-09-04T14:38:08.373613Z",
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"structure_string": "Li6 Sb2 S8\n1.0\n-0.000000 7.845351 0.000000\n-5.897448 3.922676 -1.817366\n3.797573 -3.922676 8.324499\nLi Sb S\n6 2 8\ndirect\n0.919198 0.061154 0.631532 Li\n0.651179 0.561154 0.131531 Li\n0.437400 0.580911 0.680364 Li\n0.313031 0.452653 0.882416 Li\n0.662053 0.080911 0.180364 Li\n0.116732 0.952652 0.382415 Li\n0.830247 0.755649 0.720769 Sb\n0.134873 0.255649 0.220769 Sb\n0.011160 0.671032 0.044460 S\n0.660971 0.861568 0.484070 S\n0.232354 0.661774 0.458501 S\n0.435932 0.828555 0.030283 S\n0.564372 0.161775 0.958502 S\n0.765796 0.328555 0.530283 S\n0.362268 0.171033 0.544460 S\n0.961531 0.361568 0.984070 S\n",
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"volume": 331.00885211186164,
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{
"id": "jvasp-51720",
"created_at": "2022-09-04T14:38:13.040720Z",
"updated_at": "2022-09-04T14:38:13.040745Z",
"structure_string": "Ba4 H4 Br4 O4\n1.0\n4.402759 -0.000000 0.000000\n-0.000000 7.598955 0.000000\n0.000000 0.000000 10.390086\nBa H Br O\n4 4 4 4\ndirect\n0.750000 0.303114 0.405164 Ba\n0.750000 0.803115 0.094836 Ba\n0.250000 0.696886 0.594836 Ba\n0.250000 0.196886 0.905165 Ba\n0.750000 0.245472 0.098028 H\n0.750000 0.745472 0.401973 H\n0.250000 0.754529 0.901973 H\n0.250000 0.254529 0.598028 H\n0.250000 0.467089 0.175995 Br\n0.250000 0.967090 0.324006 Br\n0.750000 0.532911 0.824006 Br\n0.750000 0.032911 0.675995 Br\n0.750000 0.142074 0.042183 O\n0.750000 0.642074 0.457817 O\n0.250000 0.857927 0.957817 O\n0.250000 0.357926 0.542183 O\n",
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{
"id": "jvasp-26764",
"created_at": "2022-09-04T14:38:20.640414Z",
"updated_at": "2022-09-04T14:38:20.640437Z",
"structure_string": "Rb1 Na7 Co2 O6\n1.0\n4.529926 -0.000107 0.000094\n-2.265077 5.189506 -0.189047\n0.000224 -0.099955 10.474062\nRb Na Co O\n1 7 2 6\ndirect\n0.000000 0.000001 -0.000001 Rb\n0.123462 0.246982 0.715658 Na\n0.278217 0.556394 0.109807 Na\n0.771089 0.542232 0.601462 Na\n0.721782 0.443607 0.890191 Na\n0.876538 0.753020 0.284341 Na\n0.228912 0.457770 0.398538 Na\n0.500000 0.000001 0.500000 Na\n0.404542 0.809129 0.761827 Co\n0.595458 0.190872 0.238172 Co\n0.427775 0.855422 0.282759 O\n0.316287 0.632544 0.608583 O\n0.683712 0.367454 0.391415 O\n0.291722 0.583420 0.888495 O\n0.572228 0.144585 0.717240 O\n0.708275 0.416576 0.111506 O\n",
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"formula_full": "Rb1 Na7 Co2 O6",
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{
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"created_at": "2022-09-04T14:38:13.173753Z",
"updated_at": "2022-09-04T14:38:13.173770Z",
"structure_string": "Ag2 Pb4 Br10\n1.0\n6.555162 0.000000 -2.768974\n-0.319687 7.992132 -0.756812\n-0.038190 0.004227 9.053295\nAg Pb Br\n2 4 10\ndirect\n0.500000 0.000000 0.500000 Ag\n-0.000000 0.500000 0.500000 Ag\n0.870867 0.064270 0.207175 Pb\n0.129132 0.935730 0.792825 Pb\n0.336307 0.564270 0.207175 Pb\n0.663692 0.435730 0.792825 Pb\n0.135808 0.819162 0.443137 Br\n0.925602 0.750000 0.000000 Br\n0.864191 0.180838 0.556863 Br\n0.293489 0.576990 0.825981 Br\n0.532492 0.076990 0.825981 Br\n0.706510 0.423011 0.174019 Br\n0.467507 0.923011 0.174019 Br\n0.692671 0.680838 0.556863 Br\n0.307328 0.319162 0.443137 Br\n0.074397 0.250000 0.000000 Br\n",
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{
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"created_at": "2022-09-04T14:38:13.634678Z",
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"structure_string": "Al6 Pt10\n1.0\n4.003127 0.000000 0.000000\n0.000000 5.473913 0.000000\n0.000000 0.000000 10.917031\nAl Pt\n6 10\ndirect\n0.500000 0.179137 0.640136 Al\n0.500000 0.820862 0.359863 Al\n0.500000 0.679137 0.859863 Al\n0.500000 0.320863 0.140136 Al\n0.000000 0.500000 0.500000 Al\n0.000000 0.000000 0.000000 Al\n0.500000 0.292428 0.393099 Pt\n0.500000 0.707572 0.606901 Pt\n0.500000 0.792427 0.106901 Pt\n0.500000 0.207572 0.893099 Pt\n0.000000 0.426010 0.729348 Pt\n0.000000 0.573989 0.270651 Pt\n0.000000 0.926010 0.770651 Pt\n0.000000 0.073990 0.229348 Pt\n0.000000 0.500000 0.000000 Pt\n0.000000 0.000000 0.500000 Pt\n",
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{
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"created_at": "2022-09-04T14:38:13.048674Z",
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"structure_string": "U4 V4 N8\n1.0\n0.000000 5.474393 0.000126\n3.162965 0.000000 0.000000\n0.000000 -0.000666 -10.679750\nU V N\n4 4 8\ndirect\n0.422401 0.000000 0.643927 U\n0.922397 0.000000 0.856072 U\n0.577597 0.500001 0.356073 U\n0.077601 0.500001 0.143928 U\n0.426366 0.500001 0.903223 V\n0.073636 0.000000 0.403223 V\n0.926363 0.500001 0.596777 V\n0.573632 0.000000 0.096777 V\n0.166758 0.500001 0.754027 N\n0.333242 0.000000 0.254026 N\n0.242588 0.500001 0.493253 N\n0.833241 0.000000 0.245973 N\n0.666757 0.500001 0.745974 N\n0.757410 0.000000 0.506747 N\n0.257411 0.000000 0.993254 N\n0.742587 0.500001 0.006746 N\n",
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{
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"updated_at": "2022-09-04T14:38:13.166623Z",
"structure_string": "Er4 Ag4 Se8\n1.0\n4.201839 0.000000 0.000000\n0.000000 6.771065 0.000000\n0.000000 0.000000 13.691594\nEr Ag Se\n4 4 8\ndirect\n0.215651 0.292322 0.127739 Er\n0.715652 0.207679 0.872261 Er\n0.784349 0.792322 0.372261 Er\n0.284349 0.707679 0.627739 Er\n0.508484 0.708560 0.872734 Ag\n0.491516 0.208559 0.627265 Ag\n0.008484 0.791442 0.127265 Ag\n0.991516 0.291441 0.372735 Ag\n0.776640 0.510849 0.526851 Se\n0.276640 0.989152 0.473149 Se\n0.223360 0.010849 0.973149 Se\n0.723361 0.489151 0.026851 Se\n0.784150 0.913874 0.725793 Se\n0.715851 0.086126 0.225793 Se\n0.215851 0.413874 0.774207 Se\n0.284149 0.586127 0.274207 Se\n",
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{
"id": "jvasp-46180",
"created_at": "2022-09-04T14:38:13.582629Z",
"updated_at": "2022-09-04T14:38:13.582644Z",
"structure_string": "Li4 Ni2 B2 O8\n1.0\n3.434199 3.580524 0.000000\n-3.434199 3.580524 0.000000\n0.000000 0.000000 6.037588\nLi Ni B O\n4 2 2 8\ndirect\n0.321107 0.678892 0.500000 Li\n0.190412 0.190412 0.750000 Li\n0.809586 0.809586 0.250000 Li\n0.678892 0.321107 0.000000 Li\n0.185664 0.185664 0.250000 Ni\n0.814334 0.814334 0.750000 Ni\n0.315748 0.684250 0.000000 B\n0.684250 0.315748 0.500000 B\n0.201069 0.804543 0.204639 O\n0.195456 0.798930 0.795361 O\n0.281584 0.385332 0.006083 O\n0.614667 0.718415 0.993917 O\n0.385332 0.281584 0.493917 O\n0.718415 0.614667 0.506084 O\n0.798930 0.195456 0.704639 O\n0.804543 0.201069 0.295361 O\n",
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]
}