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{
"id": "jvasp-109192",
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"structure_string": "Co1 Ni1 Te4\n1.0\n5.758170 0.037927 3.334628\n4.451195 3.653057 3.334628\n0.007233 0.002615 6.678293\nCo Ni Te\n1 1 4\ndirect\n0.000000 0.000000 0.000000 Co\n0.499998 0.500001 0.500000 Ni\n0.121268 0.121270 0.550709 Te\n0.621373 0.621376 0.040891 Te\n0.878728 0.878733 0.449292 Te\n0.378623 0.378627 0.959109 Te\n",
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{
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{
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"structure_string": "Ge4 Os2\n1.0\n3.078366 0.000000 0.705271\n1.425512 4.528846 0.848789\n0.013895 0.003763 7.010219\nGe Os\n4 2\ndirect\n0.855560 0.755534 0.533347 Ge\n0.144439 0.244466 0.466653 Ge\n0.600248 0.688247 0.111259 Ge\n0.399751 0.311753 0.888742 Ge\n0.154331 0.892461 0.798875 Os\n0.845668 0.107539 0.201125 Os\n",
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{
"id": "jvasp-57203",
"created_at": "2022-09-04T14:38:19.989023Z",
"updated_at": "2022-09-04T14:38:19.989044Z",
"structure_string": "Ce2 Cr2 S4 O2\n1.0\n3.719706 0.000000 0.000000\n-1.859853 5.596282 0.034615\n0.000000 0.012194 7.921109\nCe Cr S O\n2 2 4 2\ndirect\n0.265784 0.531567 0.789992 Ce\n0.734219 0.468435 0.210010 Ce\n0.000002 0.000003 -0.000001 Cr\n0.499998 0.999994 0.499998 Cr\n0.544905 0.089810 0.800495 S\n0.137740 0.275479 0.466831 S\n0.862256 0.724509 0.533170 S\n0.455098 0.910193 0.199502 S\n0.829513 0.659022 0.936015 O\n0.170492 0.340982 0.063985 O\n",
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"spacegroup": 12
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{
"id": "jvasp-20530",
"created_at": "2022-09-04T14:38:20.019563Z",
"updated_at": "2022-09-04T14:38:20.019573Z",
"structure_string": "Nb2 Sb4\n1.0\n3.581292 -0.000000 0.895206\n1.626278 5.151407 1.105158\n0.004988 0.002200 7.591156\nNb Sb\n2 4\ndirect\n0.848089 0.113611 0.190211 Nb\n0.151911 0.886390 0.809791 Nb\n0.594403 0.699418 0.111776 Sb\n0.405597 0.300583 0.888225 Sb\n0.148804 0.238566 0.463826 Sb\n0.851196 0.761435 0.536175 Sb\n",
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"elements": [
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{
"id": "jvasp-108821",
"created_at": "2022-09-04T14:38:20.098380Z",
"updated_at": "2022-09-04T14:38:20.098402Z",
"structure_string": "Li2 V2 O4\n1.0\n4.080085 0.171123 -0.000156\n-1.857919 4.022820 -1.971674\n0.000147 0.000402 3.942557\nLi V O\n2 2 4\ndirect\n0.399117 0.265687 0.877825 Li\n0.599634 0.736091 0.613004 Li\n0.099497 0.774282 0.132097 V\n0.899259 0.227453 0.358697 V\n0.889860 0.256300 0.873124 O\n0.108892 0.745445 0.617677 O\n0.392090 0.243948 0.366948 O\n0.606669 0.757797 0.123855 O\n",
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],
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"formula_full": "Li2 V2 O4",
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{
"id": "jvasp-109816",
"created_at": "2022-09-04T14:38:20.477403Z",
"updated_at": "2022-09-04T14:38:20.477426Z",
"structure_string": "Mn1 H4 Cl2 O2\n1.0\n5.599396 -0.061323 0.651352\n-0.966451 5.515702 0.651352\n-0.095692 -0.112658 3.669887\nMn H Cl O\n1 4 2 2\ndirect\n0.000000 0.000000 0.000000 Mn\n0.602117 0.229201 0.162779 H\n0.770800 0.397884 0.837221 H\n0.397885 0.770799 0.837221 H\n0.229201 0.602116 0.162779 H\n0.753123 0.753122 0.553437 Cl\n0.246878 0.246878 0.446563 Cl\n0.754332 0.245669 -0.000001 O\n0.245669 0.754331 -0.000000 O\n",
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"elements": [
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"density_atomic": 0.07897860932334008,
"volume": 113.954905981616,
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"formula_full": "Mn1 H4 Cl2 O2",
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{
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"created_at": "2022-09-04T14:38:26.173658Z",
"updated_at": "2022-09-04T14:38:26.173694Z",
"structure_string": "Zr4 S3 N2\n1.0\n4.986998 -0.001249 3.846033\n1.222272 3.269376 -0.000000\n0.008110 -0.003032 9.416205\nZr S N\n4 3 2\ndirect\n0.230734 0.884634 0.652499 Zr\n0.769265 0.115368 0.347500 Zr\n0.592401 0.703800 0.099958 Zr\n0.407599 0.296202 0.900041 Zr\n0.000000 0.000000 0.000000 S\n0.826101 0.586950 0.736755 S\n0.173899 0.413052 0.263245 S\n0.546865 0.726569 0.363776 N\n0.453135 0.273433 0.636223 N\n",
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"elements": [
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"density": 5.293695062601613,
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"volume": 153.42345077330626,
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"formula_full": "Zr4 S3 N2",
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"formula_anonymous": "A2B3C4",
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"spacegroup": 12
},
{
"id": "jvasp-39190",
"created_at": "2022-09-04T14:38:20.547735Z",
"updated_at": "2022-09-04T14:38:20.547750Z",
"structure_string": "Na2 Cr1 H2 F8\n1.0\n2.279072 0.000000 -4.880965\n-3.686394 -3.961936 -0.008642\n-3.686394 3.961936 -0.008642\nNa Cr H F\n2 1 2 8\ndirect\n0.499999 0.735376 0.264621 Na\n0.499999 0.264621 0.735376 Na\n0.000000 0.000000 0.000000 Cr\n0.780531 0.344272 0.344272 H\n0.219469 0.655728 0.655728 H\n0.776779 0.674231 0.001021 F\n0.776912 0.140879 0.140879 F\n0.223221 0.998980 0.325770 F\n0.733172 0.459442 0.459442 F\n0.266828 0.540557 0.540557 F\n0.776779 0.001021 0.674231 F\n0.223088 0.859120 0.859120 F\n0.223221 0.325770 0.998980 F\n",
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{
"id": "jvasp-27040",
"created_at": "2022-09-04T14:38:20.561845Z",
"updated_at": "2022-09-04T14:38:20.561869Z",
"structure_string": "Mn1 Cu1 O2\n1.0\n2.913911 0.000000 -0.000000\n-1.456956 2.712914 -0.679120\n-0.000000 0.004203 5.921350\nMn Cu O\n1 1 2\ndirect\n0.000000 0.000000 0.000000 Mn\n0.500001 0.000001 0.500001 Cu\n0.594748 0.189497 0.820411 O\n0.405249 0.810499 0.179588 O\n",
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{
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"created_at": "2022-09-04T14:38:20.623560Z",
"updated_at": "2022-09-04T14:38:20.623580Z",
"structure_string": "Fe4 O6 F2\n1.0\n-4.527808 0.198758 0.000000\n-0.198058 4.539439 -2.873920\n0.198058 -4.539439 -2.873920\nFe O F\n4 6 2\ndirect\n0.500000 0.000000 0.500000 Fe\n0.500000 0.500000 -0.000000 Fe\n0.000000 0.500000 0.500000 Fe\n0.000000 0.000000 0.000000 Fe\n0.820924 0.162376 0.337624 O\n0.694621 0.151581 0.845612 O\n0.694622 0.654388 0.348419 O\n0.305379 0.848419 0.154388 O\n0.305379 0.345612 0.651581 O\n0.179077 0.837624 0.662376 O\n0.781344 0.638615 0.861385 F\n0.218657 0.361385 0.138615 F\n",
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{
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"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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}