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{
"id": "jvasp-10164",
"created_at": "2022-09-04T14:37:14.758159Z",
"updated_at": "2022-09-04T14:37:14.758179Z",
"structure_string": "Zn2 Sb4 O8\n1.0\n3.315330 -0.002165 -0.002015\n-1.653570 6.382929 -0.585428\n-1.653171 -2.005513 9.917621\nZn Sb O\n2 4 8\ndirect\n0.490340 0.733674 0.238913 Zn\n0.490076 0.233264 0.739201 Zn\n0.694619 0.302983 0.078060 Sb\n0.694061 0.802750 0.577713 Sb\n0.286331 0.164184 0.400400 Sb\n0.285839 0.663960 0.900053 Sb\n0.668072 0.562904 0.765453 O\n0.668525 0.063335 0.265671 O\n0.311901 0.903607 0.712444 O\n0.312406 0.404027 0.212659 O\n0.119394 0.340690 0.890190 O\n0.119546 0.840820 0.390240 O\n0.861145 0.626256 0.087931 O\n0.860860 0.126113 0.587870 O\n",
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{
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"updated_at": "2022-09-04T14:37:30.753816Z",
"structure_string": "Zn1 Sb4 O8\n1.0\n5.375398 -0.549810 3.093726\n1.525386 5.183666 3.093726\n-0.818782 -0.549810 6.147817\nZn Sb O\n1 4 8\ndirect\n0.500001 0.500002 0.499999 Zn\n0.500002 1.000000 0.500001 Sb\n1.000000 0.500001 0.500002 Sb\n0.500000 0.500000 0.000000 Sb\n0.000000 0.000000 0.000000 Sb\n0.741638 0.280823 0.741638 O\n0.258362 0.258363 0.719178 O\n0.258363 0.719179 0.258362 O\n0.719177 0.258363 0.258363 O\n0.264729 0.264730 0.264729 O\n0.735272 0.735272 0.735272 O\n0.280824 0.741639 0.741637 O\n0.741639 0.741639 0.280823 O\n",
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{
"id": "jvasp-9285",
"created_at": "2022-09-04T14:38:01.953772Z",
"updated_at": "2022-09-04T14:38:01.953792Z",
"structure_string": "Zn1 Sb4 O8\n1.0\n3.235247 -0.296195 -0.466619\n0.695115 7.036696 0.324141\n-0.069515 3.604140 8.721214\nZn Sb O\n1 4 8\ndirect\n0.483883 0.910386 0.816251 Zn\n0.326057 0.741472 0.500114 Sb\n0.007719 0.318138 0.865000 Sb\n0.133468 0.615032 0.116015 Sb\n0.798229 0.197422 0.445737 Sb\n0.211105 0.311684 0.271051 O\n0.691115 0.659569 0.231900 O\n0.454839 0.250613 0.758463 O\n0.917624 0.608666 0.684359 O\n0.765556 -0.039620 0.379453 O\n0.045610 0.903547 0.940320 O\n0.372046 0.966182 0.593413 O\n0.570325 0.566280 -0.010874 O\n",
"nsites": 13,
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"elements": [
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],
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"density": 5.7893986258822245,
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"volume": 195.16779716808702,
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"formula_full": "Zn1 Sb4 O8",
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"formula_anonymous": "AB4C8",
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"spacegroup": 8
},
{
"id": "jvasp-30659",
"created_at": "2022-09-04T14:37:34.104559Z",
"updated_at": "2022-09-04T14:37:34.104579Z",
"structure_string": "Zn1 Sb4 O8\n1.0\n3.057058 0.189590 1.179035\n1.962918 6.963999 2.913857\n1.195680 1.705808 10.306203\nZn Sb O\n1 4 8\ndirect\n0.210470 0.089654 0.183775 Zn\n0.567762 0.258579 0.499824 Sb\n0.190844 0.681908 0.134981 Sb\n0.864487 0.384943 0.883998 Sb\n0.441292 0.802560 0.554291 Sb\n0.793791 0.688317 0.728972 O\n0.582541 0.340379 0.768127 O\n0.463965 0.749370 0.241548 O\n0.210772 0.391321 0.315587 O\n0.105434 0.039665 0.620512 O\n0.889415 0.096451 0.059718 O\n0.931634 0.033779 0.406604 O\n0.125762 0.433712 0.010857 O\n",
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"formula_full": "Zn1 Sb4 O8",
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"spacegroup": 8
},
{
"id": "jvasp-19357",
"created_at": "2022-09-04T14:38:27.343732Z",
"updated_at": "2022-09-04T14:38:27.343752Z",
"structure_string": "Zn4 Sb4 O12\n1.0\n0.000000 5.475995 0.003177\n8.051230 0.000000 0.000000\n0.000000 -0.164495 -5.538461\nZn Sb O\n4 4 12\ndirect\n0.524038 0.750000 0.504904 Zn\n0.475960 0.250000 0.495096 Zn\n0.013574 0.750000 0.970233 Zn\n0.986425 0.250000 0.029766 Zn\n-0.000000 0.500000 0.500000 Sb\n-0.000000 0.000000 0.500000 Sb\n0.500000 0.500000 -0.000000 Sb\n0.500000 0.000000 -0.000000 Sb\n0.351640 0.570493 0.311477 O\n0.873047 0.750000 0.628455 O\n0.648358 0.070493 0.688523 O\n0.608417 0.250000 0.134796 O\n0.820997 0.928143 0.136704 O\n0.179001 0.071857 0.863295 O\n0.820997 0.571857 0.136704 O\n0.351640 0.929507 0.311477 O\n0.391582 0.750000 0.865203 O\n0.648358 0.429507 0.688523 O\n0.179001 0.428143 0.863295 O\n0.126951 0.250000 0.371544 O\n",
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"volume": 244.17820376823002,
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"formula_full": "Zn4 Sb4 O12",
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"formula_anonymous": "ABC3",
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"spacegroup": 11
},
{
"id": "jvasp-9228",
"created_at": "2022-09-04T14:37:27.913988Z",
"updated_at": "2022-09-04T14:37:27.914016Z",
"structure_string": "Zn2 Sb4 O12\n1.0\n5.204190 0.000318 0.000205\n-0.000331 5.428520 0.000769\n-0.000292 -0.000964 7.590207\nZn Sb O\n2 4 12\ndirect\n0.477318 0.437628 0.249985 Zn\n0.977319 0.062368 0.749985 Zn\n0.496624 0.995581 0.001399 Sb\n0.996626 0.504430 0.998588 Sb\n0.996623 0.504412 0.501398 Sb\n0.496625 0.995566 0.498586 Sb\n0.355454 0.961636 0.749996 O\n0.855451 0.538357 0.249994 O\n0.323811 0.681218 0.066456 O\n0.823825 0.818805 0.933534 O\n0.200721 0.209340 0.431020 O\n0.200735 0.209369 0.068981 O\n0.700718 0.290659 0.931021 O\n0.613803 0.059309 0.249994 O\n0.823813 0.818776 0.566458 O\n0.323818 0.681189 0.433532 O\n0.700738 0.290624 0.568981 O\n0.113803 0.440683 0.749995 O\n",
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"formula_full": "Zn2 Sb4 O12",
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"spacegroup": 31
},
{
"id": "jvasp-9386",
"created_at": "2022-09-04T14:38:11.959375Z",
"updated_at": "2022-09-04T14:38:11.959399Z",
"structure_string": "Zn2 Sb4 O12\n1.0\n4.728351 -0.000000 0.000000\n0.000000 4.728351 0.000000\n0.000000 0.000000 9.434769\nZn Sb O\n2 4 12\ndirect\n0.000000 0.000000 0.000000 Zn\n0.500000 0.500000 0.500000 Zn\n0.500000 0.500000 0.832389 Sb\n0.000000 0.000000 0.332388 Sb\n0.500000 0.500000 0.167612 Sb\n0.000000 0.000000 0.667612 Sb\n0.689476 0.689476 0.000000 O\n0.810523 0.189476 0.500000 O\n0.189476 0.810523 0.500000 O\n0.310523 0.310523 0.000000 O\n0.801548 0.198452 0.827468 O\n0.698452 0.698452 0.327468 O\n0.198452 0.801548 0.172532 O\n0.301548 0.301548 0.327468 O\n0.301548 0.301548 0.672532 O\n0.698452 0.698452 0.672532 O\n0.801548 0.198452 0.172532 O\n0.198452 0.801548 0.827468 O\n",
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},
{
"id": "jvasp-96",
"created_at": "2022-09-04T14:36:30.740828Z",
"updated_at": "2022-09-04T14:36:30.740873Z",
"structure_string": "Zn1 Se1\n1.0\n3.500838 0.000000 2.021210\n1.166946 3.300621 2.021210\n-0.000000 -0.000000 4.042419\nZn Se\n1 1\ndirect\n0.000000 0.000000 0.000000 Zn\n0.250000 0.250000 0.250000 Se\n",
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},
{
"id": "jvasp-29593",
"created_at": "2022-09-04T14:36:42.837490Z",
"updated_at": "2022-09-04T14:36:42.837511Z",
"structure_string": "Zn2 Se2\n1.0\n4.132762 0.000000 0.000000\n0.000000 4.132762 0.000000\n-0.000000 0.000000 5.367541\nZn Se\n2 2\ndirect\n0.000000 0.000000 0.000000 Zn\n0.500000 0.500000 0.000000 Zn\n0.000000 0.500000 0.275223 Se\n0.500000 0.000000 0.724776 Se\n",
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"spacegroup": 129
},
{
"id": "jvasp-8047",
"created_at": "2022-09-04T14:37:07.444453Z",
"updated_at": "2022-09-04T14:37:07.444488Z",
"structure_string": "Zn2 Se2\n1.0\n2.016787 -3.493176 0.000000\n2.016787 3.493176 -0.000000\n0.000000 -0.000000 6.637972\nZn Se\n2 2\ndirect\n0.333334 0.666668 0.999295 Zn\n0.666668 0.333334 0.499295 Zn\n0.333334 0.666668 0.625705 Se\n0.666668 0.333334 0.125705 Se\n",
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},
{
"id": "jvasp-123726",
"created_at": "2022-09-04T14:38:55.342001Z",
"updated_at": "2022-09-04T14:38:55.342024Z",
"structure_string": "Zn1 Se2\n1.0\n2.181022 -3.468351 -0.668408\n1.913170 3.313707 -0.000000\n-0.840306 0.485151 5.195433\nZn Se\n1 2\ndirect\n-0.000000 0.333274 0.166667 Zn\n0.786012 0.726369 0.426765 Se\n0.213986 -0.059645 0.906567 Se\n",
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},
{
"id": "jvasp-21242",
"created_at": "2022-09-04T14:36:55.330639Z",
"updated_at": "2022-09-04T14:36:55.330665Z",
"structure_string": "Zn4 Se4 O12\n1.0\n5.111892 -0.000000 0.000000\n-0.000000 5.941747 0.000000\n0.000000 0.000000 7.729847\nZn Se O\n4 4 12\ndirect\n0.500000 0.000000 0.500000 Zn\n0.000000 0.500000 0.500000 Zn\n0.000000 0.500000 0.000000 Zn\n0.500000 0.000000 0.000000 Zn\n0.015694 0.978169 0.750000 Se\n0.515694 0.521832 0.250000 Se\n0.484306 0.478169 0.750000 Se\n0.984306 0.021832 0.250000 Se\n0.820076 0.423754 0.750000 O\n0.320076 0.076246 0.250000 O\n0.864420 0.185904 0.077494 O\n0.364420 0.314097 0.922506 O\n0.635579 0.685904 0.422506 O\n0.364420 0.314097 0.577494 O\n0.135580 0.814097 0.922506 O\n0.635579 0.685904 0.077494 O\n0.179924 0.576247 0.250000 O\n0.864420 0.185904 0.422506 O\n0.135580 0.814097 0.577494 O\n0.679923 0.923754 0.750000 O\n",
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"volume": 234.7830408686044,
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"formula_full": "Zn4 Se4 O12",
"formula_reduced": "ZnSeO3",
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"spacegroup": 62
}
]
}