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{
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{
"id": "jvasp-11609",
"created_at": "2022-09-04T14:37:16.427830Z",
"updated_at": "2022-09-04T14:37:16.427856Z",
"structure_string": "Zn2 Sb4 O8\n1.0\n6.623773 0.249461 0.205568\n3.527926 5.611626 0.205568\n3.551746 2.050601 5.799976\nZn Sb O\n2 4 8\ndirect\n0.125000 0.625000 0.625001 Zn\n0.625000 0.125000 0.625001 Zn\n0.970590 0.970590 0.029410 Sb\n0.279410 0.279410 0.220591 Sb\n0.625000 0.625000 0.125000 Sb\n0.625000 0.625000 0.625001 Sb\n0.383493 0.383493 0.418686 O\n0.380784 0.885972 0.366624 O\n0.383493 0.383492 0.814331 O\n0.885972 0.380784 0.366624 O\n0.364029 0.869216 0.883378 O\n0.869216 0.364028 0.883378 O\n0.866507 0.866507 0.435671 O\n0.866507 0.866507 0.831316 O\n",
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],
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{
"id": "jvasp-10164",
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"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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"formula_anonymous": "AB2C4",
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"spacegroup": 12
},
{
"id": "jvasp-9565",
"created_at": "2022-09-04T14:37:14.703263Z",
"updated_at": "2022-09-04T14:37:14.703292Z",
"structure_string": "Zn4 Sb4 O10\n1.0\n3.326077 0.003792 0.313476\n-0.005070 9.429310 -0.060379\n0.884001 0.054268 8.408409\nZn Sb O\n4 4 10\ndirect\n0.536326 0.035547 0.177695 Zn\n0.211895 -0.030055 0.827297 Zn\n0.463680 0.535545 0.322302 Zn\n0.788117 0.469950 0.672703 Zn\n-0.112419 0.840515 0.475604 Sb\n0.367284 0.208541 0.514154 Sb\n-0.367286 0.708540 0.985851 Sb\n0.112420 0.340514 0.024391 Sb\n0.448992 0.749340 0.352094 O\n0.025642 0.491657 0.198315 O\n0.550985 0.249338 0.147904 O\n0.206038 0.741548 0.839061 O\n0.351203 0.462255 0.546558 O\n0.326795 0.000657 0.595875 O\n-0.326790 0.500654 0.904127 O\n-0.351199 0.962250 -0.046559 O\n-0.025639 0.991662 0.301684 O\n0.793967 0.241548 0.660944 O\n",
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],
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"density": 5.778778227616337,
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"volume": 261.107447667154,
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"formula_full": "Zn4 Sb4 O10",
"formula_reduced": "Zn2Sb2O5",
"formula_anonymous": "A2B2C5",
"energy_above_hull": 1.434985611111111,
"spacegroup": 36
},
{
"id": "jvasp-10032",
"created_at": "2022-09-04T14:37:07.982889Z",
"updated_at": "2022-09-04T14:37:07.982915Z",
"structure_string": "Zn2 Sb4 O8\n1.0\n6.623730 0.249562 0.205658\n3.527992 5.611538 0.205658\n3.551826 2.050648 5.800108\nZn Sb O\n2 4 8\ndirect\n0.125000 0.625000 0.625001 Zn\n0.625000 0.125000 0.625001 Zn\n0.970587 0.970588 0.029413 Sb\n0.279412 0.279412 0.220588 Sb\n0.625000 0.625000 0.125000 Sb\n0.625000 0.625000 0.625001 Sb\n0.383494 0.383494 0.418677 O\n0.380784 0.885969 0.366624 O\n0.383494 0.383494 0.814336 O\n0.885968 0.380785 0.366624 O\n0.364031 0.869215 0.883377 O\n0.869215 0.364031 0.883377 O\n0.866505 0.866506 0.435666 O\n0.866506 0.866506 0.831324 O\n",
"nsites": 14,
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],
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"density": 6.033987983316892,
"density_atomic": 0.06820716863470781,
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"formula_full": "Zn2 Sb4 O8",
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"formula_anonymous": "AB2C4",
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"spacegroup": 74
},
{
"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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"density": 6.397038175505556,
"density_atomic": 0.0819073925983323,
"volume": 244.17820376823002,
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"formula_full": "Zn4 Sb4 O12",
"formula_reduced": "ZnSbO3",
"formula_anonymous": "ABC3",
"energy_above_hull": 1.2682954,
"spacegroup": 11
},
{
"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",
"nsites": 18,
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],
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"density_atomic": 0.08533394381010108,
"volume": 210.93599095872702,
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"formula_full": "Zn2 Sb4 O12",
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"formula_anonymous": "AB2C6",
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"spacegroup": 136
},
{
"id": "jvasp-58619",
"created_at": "2022-09-04T14:37:30.753802Z",
"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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"volume": 197.53254108816355,
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"formula_full": "Zn1 Sb4 O8",
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"formula_anonymous": "AB4C8",
"energy_above_hull": 2.203920215384616,
"spacegroup": 166
},
{
"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",
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"formula_full": "Zn1 Sb4 O8",
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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-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-30686",
"created_at": "2022-09-04T14:38:35.276735Z",
"updated_at": "2022-09-04T14:38:35.276760Z",
"structure_string": "Zn4 Sb8 O16\n1.0\n3.114211 -0.000001 -0.000000\n-0.000004 9.935940 -0.000014\n0.000001 0.000031 12.746402\nZn Sb O\n4 8 16\ndirect\n0.749999 0.176080 0.335183 Zn\n0.250000 0.823920 0.664818 Zn\n0.750002 0.676079 0.164817 Zn\n0.250000 0.323921 0.835183 Zn\n0.249999 0.010754 0.857287 Sb\n0.749998 -0.010753 0.142712 Sb\n0.749999 0.489245 0.357288 Sb\n0.249998 0.510754 0.642713 Sb\n0.250001 0.875079 0.411674 Sb\n0.749999 0.124922 0.588326 Sb\n0.250001 0.375078 0.088326 Sb\n0.750001 0.624921 0.911673 Sb\n0.250001 0.577966 0.064144 O\n0.250000 0.116331 0.217777 O\n0.750000 0.883669 0.782224 O\n0.750001 0.922035 0.564146 O\n0.249998 0.077964 0.435854 O\n0.749999 0.422034 0.935856 O\n0.750000 0.412497 0.194949 O\n0.749998 0.165164 0.864174 O\n0.750001 0.912496 0.305051 O\n0.249999 0.087503 0.694949 O\n0.750001 0.665166 0.635826 O\n0.249999 0.334834 0.364174 O\n0.249999 0.616333 0.282223 O\n0.250001 0.834835 0.135826 O\n0.250000 0.587503 0.805051 O\n0.750001 0.383667 0.717777 O\n",
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],
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"volume": 394.4069924299969,
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"formula_full": "Zn4 Sb8 O16",
"formula_reduced": "Zn(SbO2)2",
"formula_anonymous": "AB2C4",
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"spacegroup": 62
},
{
"id": "jvasp-30735",
"created_at": "2022-09-04T14:38:07.462415Z",
"updated_at": "2022-09-04T14:38:07.462434Z",
"structure_string": "Zn2 Sb4 O8\n1.0\n3.247586 0.000338 0.666480\n1.347696 10.024553 1.672961\n0.351042 0.994027 6.535292\nZn Sb O\n2 4 8\ndirect\n0.251629 0.238899 0.266268 Zn\n0.750695 0.739219 0.766791 Zn\n0.616705 0.078079 0.696987 Sb\n0.116205 0.577686 0.197281 Sb\n0.886096 0.400433 0.835782 Sb\n0.385657 0.900033 0.336070 Sb\n0.902494 0.765436 0.437168 O\n0.402965 0.265683 0.936610 O\n0.599336 0.712436 0.096450 O\n0.099868 0.212680 0.595902 O\n0.229059 0.890196 0.659336 O\n0.729380 0.390240 0.159147 O\n0.773344 0.087916 0.373726 O\n0.272893 0.587869 0.873918 O\n",
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],
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"formula_full": "Zn2 Sb4 O8",
"formula_reduced": "Zn(SbO2)2",
"formula_anonymous": "AB2C4",
"energy_above_hull": 1.6382909428571426,
"spacegroup": 12
}
]
}