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{
"id": "jvasp-9627",
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{
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{
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"structure_string": "Zn4 Co8 O16\n1.0\n0.000000 8.750847 -0.000122\n2.824025 0.000000 0.000000\n0.000000 0.000011 -10.023886\nZn Co O\n4 8 16\ndirect\n0.762494 0.500001 0.338684 Zn\n0.237504 0.000000 0.661318 Zn\n0.262495 0.500001 0.161316 Zn\n0.737505 0.000000 0.838682 Zn\n0.048923 0.000000 0.882116 Co\n0.951078 0.500001 0.117890 Co\n0.451076 0.500001 0.382110 Co\n0.548922 0.000000 0.617884 Co\n0.096314 0.000000 0.402779 Co\n0.903684 0.500001 0.597226 Co\n0.596316 0.000000 0.097221 Co\n0.403687 0.500001 0.902775 Co\n0.387110 0.000000 0.041535 O\n0.809458 0.000000 0.164940 O\n0.190543 0.500001 0.835063 O\n0.112892 0.500001 0.541539 O\n0.887107 0.000000 0.458468 O\n0.612894 0.500001 0.958459 O\n0.564546 0.500001 0.216565 O\n0.909597 0.500001 0.932480 O\n0.064546 0.500001 0.283435 O\n0.935450 0.000000 0.716573 O\n0.409594 0.500001 0.567522 O\n0.590406 0.000000 0.432472 O\n0.309457 0.000000 0.335061 O\n0.090408 0.000000 0.067527 O\n0.435452 0.000000 0.783429 O\n0.690540 0.500001 0.664936 O\n",
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"volume": 247.71639240712062,
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"formula_full": "Zn4 Co8 O16",
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{
"id": "jvasp-116831",
"created_at": "2022-09-04T14:38:41.925550Z",
"updated_at": "2022-09-04T14:38:41.925578Z",
"structure_string": "Zn4 Co4 O8\n1.0\n2.980178 -0.000000 -0.000000\n-0.000001 8.545839 0.151962\n0.000000 0.125372 6.124620\nZn Co O\n4 4 8\ndirect\n0.000000 0.000000 0.000000 Zn\n0.500000 0.250000 0.750000 Zn\n0.000000 0.500000 0.500000 Zn\n0.500001 0.750000 0.250000 Zn\n-0.000000 -0.000000 0.500000 Co\n0.500000 0.250000 0.250000 Co\n0.000000 0.500000 -0.000000 Co\n0.500001 0.750000 0.750000 Co\n0.000000 0.249948 0.499901 O\n0.500000 0.499948 0.249901 O\n0.000000 0.749948 -0.000100 O\n0.500000 -0.000052 0.749901 O\n0.000000 0.750052 0.500099 O\n0.500000 0.000052 0.250099 O\n0.000000 0.250052 0.000099 O\n0.500000 0.500052 0.750099 O\n",
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{
"id": "jvasp-47059",
"created_at": "2022-09-04T14:36:22.417905Z",
"updated_at": "2022-09-04T14:36:22.417936Z",
"structure_string": "Zn4 Co4 O12\n1.0\n6.405128 -0.073662 0.118113\n-0.534393 6.383222 -0.118113\n-0.633042 0.589014 4.969601\nZn Co O\n4 4 12\ndirect\n0.219376 0.587717 0.696237 Zn\n0.412283 0.780624 0.196237 Zn\n0.587718 0.219375 0.803763 Zn\n0.780625 0.412283 0.303763 Zn\n0.085863 0.085862 0.750000 Co\n0.254562 0.254562 0.250000 Co\n0.745439 0.745438 0.750000 Co\n0.914138 0.914137 0.250000 Co\n0.814983 0.018916 0.888603 O\n0.731900 0.478897 0.655567 O\n0.521103 0.268101 0.155567 O\n0.665892 0.873528 0.407208 O\n0.334109 0.126472 0.592791 O\n0.126472 0.334108 0.907208 O\n0.268101 0.521103 0.344433 O\n0.185018 0.981084 0.111397 O\n0.873529 0.665892 0.092791 O\n0.018916 0.814982 0.611397 O\n0.478898 0.731899 0.844433 O\n0.981085 0.185018 0.388603 O\n",
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"spacegroup": 15
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{
"id": "jvasp-49684",
"created_at": "2022-09-04T14:37:18.704890Z",
"updated_at": "2022-09-04T14:37:18.704915Z",
"structure_string": "Zn4 Co4 O12\n1.0\n4.978900 -0.000000 0.000000\n-0.000000 5.033406 0.000000\n0.000000 0.000000 7.311606\nZn Co O\n4 4 12\ndirect\n0.999507 0.043412 0.250000 Zn\n0.499507 0.456588 0.750000 Zn\n0.500493 0.543413 0.250000 Zn\n0.000493 0.956589 0.750000 Zn\n0.500000 0.000000 0.000000 Co\n0.000000 0.500000 0.000000 Co\n0.000000 0.500000 0.500000 Co\n0.500000 0.000000 0.500000 Co\n0.180960 0.185625 0.938513 O\n0.680961 0.314376 0.061488 O\n0.319040 0.685625 0.938513 O\n0.819040 0.814376 0.061488 O\n0.180960 0.185625 0.561488 O\n0.385596 0.932517 0.250000 O\n0.114404 0.432516 0.250000 O\n0.614404 0.067484 0.750000 O\n0.319040 0.685625 0.561488 O\n0.885596 0.567484 0.750000 O\n0.680961 0.314376 0.438513 O\n0.819040 0.814376 0.438513 O\n",
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},
{
"id": "jvasp-119226",
"created_at": "2022-09-04T14:38:26.519860Z",
"updated_at": "2022-09-04T14:38:26.519881Z",
"structure_string": "Zn4 Co4 N8\n1.0\n5.438795 -0.000000 0.000000\n0.000000 6.255618 0.000000\n0.000000 0.000000 5.116356\nZn Co N\n4 4 8\ndirect\n0.588799 0.877993 0.000593 Zn\n0.411200 0.122008 0.500593 Zn\n0.911200 0.377993 0.500593 Zn\n0.088799 0.622008 0.000593 Zn\n0.573808 0.370419 0.998917 Co\n0.426191 0.629581 0.498916 Co\n0.926191 0.870420 0.498916 Co\n0.073808 0.129581 0.998917 Co\n0.564735 0.391225 0.351633 N\n0.435264 0.608775 0.851634 N\n0.935264 0.891225 0.851634 N\n0.064735 0.108775 0.351633 N\n0.606401 0.858418 0.398857 N\n0.393598 0.141583 0.898858 N\n0.893598 0.358418 0.898858 N\n0.106401 0.641583 0.398857 N\n",
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},
{
"id": "jvasp-49671",
"created_at": "2022-09-04T14:37:04.126194Z",
"updated_at": "2022-09-04T14:37:04.126219Z",
"structure_string": "Zn4 Co2 Sb2 O12\n1.0\n0.000000 5.143325 -0.017472\n7.631298 0.000000 0.000000\n0.000000 0.001578 -5.205582\nZn Co Sb O\n4 2 2 12\ndirect\n0.486298 0.250000 0.555879 Zn\n0.513703 0.750000 0.444120 Zn\n0.988163 0.250000 0.024460 Zn\n0.011838 0.750000 0.975539 Zn\n0.500000 0.500000 -0.000000 Co\n0.500000 0.000000 -0.000000 Co\n0.000000 0.500000 0.500000 Sb\n0.000000 0.000000 0.500000 Sb\n0.326434 0.434158 0.314779 O\n0.614332 0.250000 0.925621 O\n0.673568 0.934158 0.685220 O\n0.128385 0.750000 0.574999 O\n0.183185 0.067059 0.822174 O\n0.816816 0.932941 0.177825 O\n0.183185 0.432941 0.822174 O\n0.326434 0.065842 0.314779 O\n0.871616 0.250000 0.425001 O\n0.673568 0.565842 0.685220 O\n0.816816 0.567060 0.177825 O\n0.385669 0.750000 0.074378 O\n",
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],
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"spacegroup": 11
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{
"id": "jvasp-57967",
"created_at": "2022-09-04T14:37:01.269812Z",
"updated_at": "2022-09-04T14:37:01.269828Z",
"structure_string": "Zn4 Co2 N4\n1.0\n3.508601 0.002374 0.002650\n1.748830 6.477453 -0.040183\n1.747528 1.622695 5.382661\nZn Co N\n4 2 4\ndirect\n0.653157 0.497270 0.200968 Zn\n0.349868 0.503237 0.801464 Zn\n0.116214 0.174140 0.598584 Zn\n0.886837 0.826364 0.403869 Zn\n0.383252 0.106182 0.131939 Co\n0.619788 0.894323 0.870517 Co\n0.202469 0.353089 0.246422 N\n0.800559 0.647418 0.756031 N\n0.484930 0.812515 0.221181 N\n0.518114 0.187992 0.781279 N\n",
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{
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"created_at": "2022-09-04T14:37:05.378375Z",
"updated_at": "2022-09-04T14:37:05.378407Z",
"structure_string": "Zn4 Co2 Ir2 O12\n1.0\n0.000000 5.105404 0.011847\n5.126065 0.000000 0.000000\n0.000000 -5.087490 -7.544217\nZn Co Ir O\n4 2 2 12\ndirect\n0.241795 0.032555 0.249758 Zn\n0.758204 0.532555 0.250241 Zn\n0.241795 0.467446 0.749759 Zn\n0.758204 0.967446 0.750242 Zn\n0.000000 0.500000 0.000000 Co\n0.000000 0.000000 0.500000 Co\n0.500000 0.500000 0.500000 Ir\n0.499999 0.000000 -0.000000 Ir\n0.766287 0.183992 0.936326 O\n0.617797 0.671319 0.936349 O\n0.233712 0.683993 0.563674 O\n0.869693 0.915491 0.254276 O\n0.130306 0.084510 0.745724 O\n0.233712 0.816009 0.063674 O\n0.382202 0.328682 0.063651 O\n0.617797 0.828683 0.436348 O\n0.382202 0.171318 0.563652 O\n0.869693 0.584510 0.754277 O\n0.766287 0.316008 0.436326 O\n0.130306 0.415491 0.245723 O\n",
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"formula_full": "Zn4 Co2 Ir2 O12",
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"spacegroup": 14
},
{
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"created_at": "2022-09-04T14:38:18.921693Z",
"updated_at": "2022-09-04T14:38:18.921713Z",
"structure_string": "Zn4 Co1 Se5\n1.0\n6.139794 0.006858 3.281069\n4.819455 3.803941 3.281069\n0.006503 0.002261 9.851163\nZn Co Se\n4 1 5\ndirect\n0.598538 0.598539 0.603747 Zn\n0.202409 0.202410 0.197978 Zn\n0.798454 0.798455 0.801720 Zn\n0.401368 0.401369 0.395494 Zn\n-0.000976 -0.000976 0.000956 Co\n0.800845 0.800846 0.548548 Se\n0.405773 0.405774 0.140787 Se\n0.998251 0.998253 0.758149 Se\n0.601243 0.601244 0.350766 Se\n0.194086 0.194086 0.951856 Se\n",
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"formula_full": "Zn4 Co1 Se5",
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"spacegroup": 8
},
{
"id": "jvasp-12464",
"created_at": "2022-09-04T14:37:27.571168Z",
"updated_at": "2022-09-04T14:37:27.571192Z",
"structure_string": "Zn4 Cl8\n1.0\n6.119620 0.000000 0.000000\n0.000000 6.421573 0.000000\n0.000000 0.000000 7.541139\nZn Cl\n4 8\ndirect\n0.373779 0.585091 0.375459 Zn\n0.873779 0.414909 0.624541 Zn\n0.873779 0.914908 0.875459 Zn\n0.373779 0.085091 0.124541 Zn\n0.001155 0.579219 0.875052 Cl\n0.501155 0.420780 0.124948 Cl\n0.501155 0.920780 0.375052 Cl\n0.001155 0.079219 0.624948 Cl\n-0.002034 0.076881 0.127519 Cl\n0.497966 0.923118 0.872482 Cl\n0.497966 0.423118 0.627519 Cl\n-0.002034 0.576881 0.372481 Cl\n",
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],
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"volume": 296.34856263053484,
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"formula_full": "Zn4 Cl8",
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"formula_anonymous": "AB2",
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"spacegroup": 33
}
]
}