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{
"id": "jvasp-11530",
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"structure_string": "Zn4 Cu2 N4\n1.0\n3.262997 0.000000 1.311379\n0.996953 5.379783 2.234574\n-0.851714 -0.181908 6.834462\nZn Cu N\n4 2 4\ndirect\n0.653275 0.188977 0.504476 Zn\n0.346727 0.811022 0.495523 Zn\n0.087910 0.602294 0.221885 Zn\n0.912091 0.397705 0.778115 Zn\n0.369666 0.160994 0.099675 Cu\n0.630335 0.839006 0.900324 Cu\n0.199032 0.241699 0.360237 N\n0.800969 0.758300 0.639762 N\n0.484648 0.224565 0.806140 N\n0.515354 0.775434 0.193859 N\n",
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{
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{
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"structure_string": "Zn2 Cu1 Au1\n1.0\n3.781632 -0.000000 2.183326\n1.260544 3.565357 2.183326\n0.000000 -0.000000 4.366652\nZn Cu Au\n2 1 1\ndirect\n0.749999 0.750001 0.750001 Zn\n0.250000 0.250000 0.250000 Zn\n0.499999 0.500000 0.500001 Cu\n0.000000 0.000000 0.000000 Au\n",
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"formula_full": "Zn2 Cu1 Au1",
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{
"id": "jvasp-11611",
"created_at": "2022-09-04T14:37:20.124959Z",
"updated_at": "2022-09-04T14:37:20.124982Z",
"structure_string": "Zn2 Cu1 As2 O8\n1.0\n-5.143490 0.019907 -0.049064\n2.030823 4.955688 0.030423\n-0.373850 -2.403410 -6.311256\nZn Cu As O\n2 1 2 8\ndirect\n0.766384 0.265737 0.815883 Zn\n0.233617 0.734264 0.184117 Zn\n0.500001 0.500001 0.500000 Cu\n0.134245 0.860615 0.725013 As\n0.865756 0.139386 0.274987 As\n0.731834 0.294088 0.509619 O\n0.268167 0.705913 0.490381 O\n0.634281 0.797647 0.147645 O\n0.365720 0.202354 0.852355 O\n0.909591 0.348129 0.121937 O\n0.813970 0.873367 0.666726 O\n0.186031 0.126634 0.333274 O\n0.090410 0.651872 0.878063 O\n",
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],
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"density": 4.873327943872567,
"density_atomic": 0.08079634265967128,
"volume": 160.89837203100066,
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"formula_full": "Zn2 Cu1 As2 O8",
"formula_reduced": "Zn2Cu(AsO4)2",
"formula_anonymous": "AB2C2D8",
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{
"id": "jvasp-9780",
"created_at": "2022-09-04T14:37:07.285263Z",
"updated_at": "2022-09-04T14:37:07.285281Z",
"structure_string": "Zn2 Cu1 As2 O8\n1.0\n-5.143751 0.020185 -0.048735\n2.030860 4.955546 0.030067\n-0.373354 -2.403550 -6.311038\nZn Cu As O\n2 1 2 8\ndirect\n0.766406 0.265736 0.815858 Zn\n0.233593 0.734264 0.184142 Zn\n0.499999 0.500000 0.500000 Cu\n0.134270 0.860662 0.725022 As\n0.865729 0.139338 0.274977 As\n0.731869 0.294105 0.509604 O\n0.268130 0.705895 0.490395 O\n0.634231 0.797597 0.147672 O\n0.365768 0.202403 0.852327 O\n0.909610 0.348063 0.121894 O\n0.813986 0.873384 0.666714 O\n0.186012 0.126616 0.333285 O\n0.090389 0.651937 0.878105 O\n",
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{
"id": "jvasp-75827",
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"updated_at": "2022-09-04T14:36:07.610301Z",
"structure_string": "Zn2 Cu1 As1\n1.0\n0.000000 3.172368 3.172368\n3.172368 -0.000000 3.172368\n3.172368 3.172368 0.000000\nZn Cu As\n2 1 1\ndirect\n0.000000 0.000000 0.000000 Zn\n0.250000 0.250000 0.250000 Zn\n0.750000 0.750000 0.750000 Cu\n0.500000 0.500000 0.500000 As\n",
"nsites": 4,
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"elements": [
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"spacegroup": 216
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{
"id": "jvasp-10040",
"created_at": "2022-09-04T14:38:08.516875Z",
"updated_at": "2022-09-04T14:38:08.516900Z",
"structure_string": "Zn2 Cr1 W1 O6\n1.0\n5.203279 0.017974 0.009529\n2.585946 4.515298 0.002246\n2.587857 1.513598 4.596635\nZn Cr W O\n2 1 1 6\ndirect\n0.768775 0.752142 0.741606 Zn\n0.235689 0.218958 0.341026 Zn\n0.518413 0.501746 0.492745 Cr\n0.014563 0.997905 0.004269 W\n0.136034 0.770789 0.732985 O\n0.902242 0.247552 0.238228 O\n0.643305 0.885552 0.238174 O\n0.787406 0.374834 0.733047 O\n0.264261 0.626625 0.238173 O\n0.391491 0.119397 0.732997 O\n",
"nsites": 10,
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"formula_full": "Zn2 Cr1 W1 O6",
"formula_reduced": "Zn2CrWO6",
"formula_anonymous": "ABC2D6",
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"spacegroup": 146
},
{
"id": "jvasp-11279",
"created_at": "2022-09-04T14:37:34.093159Z",
"updated_at": "2022-09-04T14:37:34.093186Z",
"structure_string": "Zn2 Cr3 O8\n1.0\n4.553395 -0.318743 -2.013874\n-0.858418 5.101898 -2.748393\n-0.610477 -0.022720 6.392132\nZn Cr O\n2 3 8\ndirect\n0.725935 0.688157 0.376312 Zn\n0.274062 0.311845 0.623689 Zn\n0.499999 1.000000 0.000001 Cr\n0.999998 0.738007 0.000001 Cr\n0.999998 0.261995 0.000001 Cr\n-0.004166 0.389618 0.779235 O\n0.004165 0.610381 0.220765 O\n0.028841 0.891265 0.782530 O\n0.971157 0.108735 0.217470 O\n0.448376 0.334164 0.205816 O\n0.448376 0.871652 0.205816 O\n0.551624 0.128348 0.794185 O\n0.551624 0.665836 0.794185 O\n",
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"volume": 139.61556278991546,
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"formula_full": "Zn2 Cr3 O8",
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"formula_anonymous": "A2B3C8",
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"spacegroup": 12
},
{
"id": "jvasp-9627",
"created_at": "2022-09-04T14:37:19.449304Z",
"updated_at": "2022-09-04T14:37:19.449336Z",
"structure_string": "Zn4 Cr4 O10\n1.0\n0.000000 5.524081 -0.001742\n3.271338 0.000000 0.000000\n0.000000 -0.003948 -11.009592\nZn Cr O\n4 4 10\ndirect\n0.652741 0.500000 0.883675 Zn\n0.264285 0.500000 0.099744 Zn\n0.152765 0.500000 0.616323 Zn\n0.764311 0.500000 0.400258 Zn\n0.629899 0.000000 0.635494 Cr\n0.252792 0.000000 0.360918 Cr\n0.752775 0.000000 0.139080 Cr\n0.129889 0.000000 0.864501 Cr\n0.797248 0.500000 0.608163 O\n0.277362 0.000000 0.691718 O\n0.297220 0.500000 0.891838 O\n0.653643 0.500000 0.063583 O\n0.554709 0.000000 0.456897 O\n0.417334 0.000000 0.211694 O\n0.917330 0.000000 0.288306 O\n0.054683 0.000000 0.043098 O\n0.777346 0.000000 0.808290 O\n0.153661 0.500000 0.436418 O\n",
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"volume": 198.95585782988923,
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"formula_full": "Zn4 Cr4 O10",
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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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"volume": 204.3201625572836,
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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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"spacegroup": 12
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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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],
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"formula_full": "Zn4 Co2 Ir2 O12",
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}
]
}