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{
"id": "jvasp-13298",
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"updated_at": "2022-09-04T14:36:39.669736Z",
"structure_string": "Zn4 Sn2 O8\n1.0\n6.195865 0.072748 0.044689\n3.160935 5.329403 0.044689\n3.155422 1.821783 5.152781\nZn Sn O\n4 2 8\ndirect\n0.984202 0.984203 0.015797 Zn\n0.265796 0.265796 0.234204 Zn\n0.125000 0.624999 0.625000 Zn\n0.624999 0.125000 0.625000 Zn\n0.624999 0.625000 0.125000 Sn\n0.624999 0.624999 0.625000 Sn\n0.389882 0.389882 0.377050 O\n0.389882 0.389882 0.843185 O\n0.390176 0.857812 0.376005 O\n0.857812 0.390177 0.376005 O\n0.392186 0.859822 0.873996 O\n0.859822 0.392187 0.873996 O\n0.860116 0.860117 0.406815 O\n0.860116 0.860117 0.872951 O\n",
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{
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"structure_string": "Zn1 Sn1 O1\n1.0\n3.114752 -0.000000 0.000000\n0.000000 3.114752 0.000000\n0.000000 -0.000000 6.643767\nZn Sn O\n1 1 1\ndirect\n0.000000 0.000000 0.460739 Zn\n0.000000 0.000000 -0.105839 Sn\n0.000000 0.000000 0.188821 O\n",
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{
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"updated_at": "2022-09-04T14:38:33.794162Z",
"structure_string": "Zn4 Sn4 O8\n1.0\n3.298016 0.308925 0.722328\n2.522980 10.089156 0.078719\n0.026189 -0.647149 8.113242\nZn Sn O\n4 4 8\ndirect\n0.110212 0.057426 0.154738 Zn\n0.885784 0.922484 0.873514 Zn\n0.906225 0.760323 0.156806 Zn\n0.089840 0.219564 0.871381 Zn\n0.793322 0.193950 0.515709 Sn\n0.229294 0.402558 0.226476 Sn\n0.766759 0.577358 0.801687 Sn\n0.202707 0.786006 0.512477 Sn\n0.799882 0.660127 0.569914 O\n0.585329 0.272940 0.773649 O\n0.410720 0.706959 0.254549 O\n0.196132 0.319842 0.458290 O\n0.294443 0.015749 0.869674 O\n0.915686 0.262515 0.133771 O\n0.701587 0.964146 0.158556 O\n0.080362 0.717394 0.894426 O\n",
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"density_atomic": 0.06096713410817574,
"volume": 262.43647883482174,
"volume_molar": 9.877683850637858,
"formula_full": "Zn4 Sn4 O8",
"formula_reduced": "ZnSnO2",
"formula_anonymous": "ABC2",
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"spacegroup": 12
},
{
"id": "jvasp-9811",
"created_at": "2022-09-04T14:38:34.010393Z",
"updated_at": "2022-09-04T14:38:34.010413Z",
"structure_string": "Zn2 Sn4 O10\n1.0\n3.291342 -0.359069 0.064452\n-1.015849 5.496007 -0.252021\n-0.406166 -1.348991 12.792872\nZn Sn O\n2 4 10\ndirect\n0.499353 0.014642 0.259866 Zn\n0.501705 0.985913 0.740057 Zn\n0.762697 0.524505 0.117475 Sn\n0.238388 0.476074 0.882440 Sn\n0.207935 0.412213 0.597989 Sn\n0.793114 0.588317 0.401921 Sn\n0.314907 0.626540 0.748455 O\n0.686144 0.374009 0.251455 O\n0.183305 0.361760 0.048160 O\n0.817781 0.638829 0.951753 O\n0.174743 0.345113 0.433558 O\n0.826282 0.655409 0.566349 O\n0.399484 0.807201 0.372675 O\n0.601578 0.193331 0.627241 O\n0.065176 0.118138 0.820742 O\n0.935891 0.882431 0.179177 O\n",
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"volume": 225.82346112335765,
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"formula_full": "Zn2 Sn4 O10",
"formula_reduced": "ZnSn2O5",
"formula_anonymous": "AB2C5",
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"spacegroup": 2
},
{
"id": "jvasp-9929",
"created_at": "2022-09-04T14:37:28.825991Z",
"updated_at": "2022-09-04T14:37:28.826018Z",
"structure_string": "Zn2 Sn4 O8\n1.0\n3.209301 0.000000 0.000000\n-1.604650 5.356764 -0.000000\n0.000000 -0.000000 10.855917\nZn Sn O\n2 4 8\ndirect\n0.393841 0.787684 0.750000 Zn\n0.606158 0.212316 0.250000 Zn\n0.868479 0.736960 0.077487 Sn\n0.131521 0.263039 0.922513 Sn\n0.868479 0.736960 0.422513 Sn\n0.131521 0.263039 0.577488 Sn\n0.228520 0.457040 0.384278 O\n0.771480 0.542959 0.615722 O\n0.771480 0.542959 0.884278 O\n0.228520 0.457040 0.115722 O\n0.987462 0.974926 0.250000 O\n0.012538 0.025074 0.750000 O\n0.500000 0.000000 0.000000 O\n0.500000 0.000000 0.500000 O\n",
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"density": 6.527703723656902,
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"volume": 186.62915038883202,
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"formula_full": "Zn2 Sn4 O8",
"formula_reduced": "Zn(SnO2)2",
"formula_anonymous": "AB2C4",
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"spacegroup": 63
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{
"id": "jvasp-49598",
"created_at": "2022-09-04T14:37:27.592329Z",
"updated_at": "2022-09-04T14:37:27.592357Z",
"structure_string": "Zn4 Sn4 O12\n1.0\n5.362104 0.000000 0.000000\n-0.000000 5.373146 0.000000\n0.000000 0.000000 7.915966\nZn Sn O\n4 4 12\ndirect\n0.008644 0.027770 0.250000 Zn\n0.508644 0.472231 0.750000 Zn\n0.491355 0.527770 0.250000 Zn\n0.991355 0.972231 0.750000 Zn\n0.500000 0.000000 0.000000 Sn\n0.000000 0.500000 0.000000 Sn\n0.000000 0.500000 0.500000 Sn\n0.500000 0.000000 0.500000 Sn\n0.167475 0.171861 0.929678 O\n0.667475 0.328139 0.070323 O\n0.332524 0.671862 0.929678 O\n0.832524 0.828139 0.070323 O\n0.167475 0.171861 0.570323 O\n0.373810 0.904948 0.250000 O\n0.126190 0.404948 0.250000 O\n0.626189 0.095053 0.750000 O\n0.332524 0.671862 0.570323 O\n0.873810 0.595053 0.750000 O\n0.667475 0.328139 0.429678 O\n0.832524 0.828139 0.429678 O\n",
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"formula_full": "Zn4 Sn4 O12",
"formula_reduced": "ZnSnO3",
"formula_anonymous": "ABC3",
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"spacegroup": 62
},
{
"id": "jvasp-10026",
"created_at": "2022-09-04T14:37:28.462524Z",
"updated_at": "2022-09-04T14:37:28.462546Z",
"structure_string": "Zn2 Sn4 O8\n1.0\n6.477276 -0.414062 0.075647\n2.880049 5.816515 0.075647\n3.180873 1.836478 5.194345\nZn Sn O\n2 4 8\ndirect\n0.125000 0.625001 0.625000 Zn\n0.625000 0.125001 0.625000 Zn\n0.020505 0.020506 0.979493 Sn\n0.229494 0.229495 0.270506 Sn\n0.625000 0.625001 0.125001 Sn\n0.625000 0.625001 0.625000 Sn\n0.387331 0.387331 0.377552 O\n0.414296 0.801878 0.391913 O\n0.387330 0.387332 0.847787 O\n0.801877 0.414297 0.391913 O\n0.448122 0.835704 0.858088 O\n0.835703 0.448123 0.858088 O\n0.862669 0.862670 0.402213 O\n0.862669 0.862670 0.872448 O\n",
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"volume": 199.89323629397504,
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"formula_full": "Zn2 Sn4 O8",
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"formula_anonymous": "AB2C4",
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},
{
"id": "jvasp-36625",
"created_at": "2022-09-04T14:37:30.993050Z",
"updated_at": "2022-09-04T14:37:30.993066Z",
"structure_string": "Zn1 Sn1 O3\n1.0\n4.020486 0.000000 -0.000000\n0.000000 4.020486 -0.000000\n0.000000 -0.000000 4.020486\nZn Sn O\n1 1 3\ndirect\n0.000000 0.000000 0.000000 Zn\n0.500001 0.500001 0.500001 Sn\n0.500001 0.500001 0.000000 O\n0.500001 0.000000 0.500001 O\n0.000000 0.500001 0.500001 O\n",
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},
{
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"updated_at": "2022-09-04T14:36:36.395579Z",
"structure_string": "Zn2 Sn2 P4\n1.0\n5.210863 0.000000 -2.330369\n-1.042173 5.105582 -2.330369\n0.005422 0.006641 7.003230\nZn Sn P\n2 2 4\ndirect\n0.250000 0.750000 0.500000 Zn\n0.000000 0.000000 0.000000 Zn\n0.749999 0.250000 0.500000 Sn\n0.500000 0.500000 -0.000000 Sn\n0.352404 0.375000 0.250000 P\n0.125000 0.647595 0.750000 P\n0.624999 0.102404 0.750000 P\n0.897596 0.875000 0.250000 P\n",
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"volume": 186.47863308126162,
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"formula_full": "Zn2 Sn2 P4",
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"formula_anonymous": "ABC2",
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},
{
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"created_at": "2022-09-04T14:38:19.273645Z",
"updated_at": "2022-09-04T14:38:19.273670Z",
"structure_string": "Zn1 Sn1 Rh2\n1.0\n3.841451 -0.000000 2.217863\n1.280484 3.621755 2.217863\n-0.000000 -0.000000 4.435726\nZn Sn Rh\n1 1 2\ndirect\n0.000000 0.000000 0.000000 Zn\n0.500000 0.499999 0.500000 Sn\n0.250000 0.250000 0.250000 Rh\n0.749999 0.749999 0.750001 Rh\n",
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},
{
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"created_at": "2022-09-04T14:36:42.641766Z",
"updated_at": "2022-09-04T14:36:42.641786Z",
"structure_string": "Zn1 Sn1 Sb2\n1.0\n4.531193 -0.000000 0.000000\n0.000000 4.531193 0.000000\n-0.000000 -0.000000 6.329934\nZn Sn Sb\n1 1 2\ndirect\n0.000000 0.000000 0.000000 Zn\n0.500000 0.500000 0.500000 Sn\n-0.000000 0.500000 0.221722 Sb\n0.500000 0.000000 0.778277 Sb\n",
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},
{
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"structure_string": "Zn2 Sn2 Sb4\n1.0\n5.817835 -0.000000 -2.601815\n-1.163567 5.700291 -2.601815\n0.011545 0.014140 7.831260\nZn Sn Sb\n2 2 4\ndirect\n0.250000 0.750000 0.499999 Zn\n0.000000 0.000000 0.000000 Zn\n0.750000 0.250000 0.499999 Sn\n0.499999 0.500000 -0.000001 Sn\n0.901843 0.875000 0.249999 Sb\n0.625000 0.098156 0.750000 Sb\n0.125000 0.651844 0.750000 Sb\n0.348155 0.375000 0.249999 Sb\n",
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"formula_full": "Zn2 Sn2 Sb4",
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}
]
}