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{
"id": "jvasp-30674",
"created_at": "2022-09-04T14:38:31.295590Z",
"updated_at": "2022-09-04T14:38:31.295600Z",
"structure_string": "Zn2 Sn8 O12\n1.0\n3.121387 -0.000000 -0.000000\n-1.560693 6.197230 0.000000\n-0.000000 0.000000 16.757347\nZn Sn O\n2 8 12\ndirect\n0.660582 0.321162 0.750000 Zn\n0.339420 0.678838 0.250000 Zn\n0.872689 0.745378 0.041691 Sn\n0.411003 0.822001 0.665575 Sn\n0.127311 0.254621 0.958309 Sn\n0.588999 0.177999 0.334426 Sn\n0.872689 0.745378 0.458309 Sn\n0.127311 0.254621 0.541691 Sn\n0.588999 0.177999 0.165574 Sn\n0.411003 0.822001 0.834425 Sn\n0.839311 0.678621 0.604393 O\n0.160690 0.321380 0.395607 O\n0.160690 0.321380 0.104393 O\n0.839311 0.678621 0.895607 O\n0.044543 0.089086 0.658871 O\n0.500000 0.000000 0.500000 O\n0.955459 0.910914 0.158871 O\n0.044543 0.089086 0.841130 O\n0.500000 0.000000 0.000000 O\n0.252272 0.504544 0.750000 O\n0.955459 0.910914 0.341129 O\n0.747728 0.495455 0.250000 O\n",
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"formula_full": "Zn2 Sn8 O12",
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{
"id": "jvasp-10026",
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"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_molar": 8.598465756673274,
"formula_full": "Zn2 Sn4 O8",
"formula_reduced": "Zn(SnO2)2",
"formula_anonymous": "AB2C4",
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"spacegroup": 74
},
{
"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",
"nsites": 14,
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"chemical_system": "O-Sn-Zn",
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"density_atomic": 0.07501507653456996,
"volume": 186.62915038883202,
"volume_molar": 8.027907239719681,
"formula_full": "Zn2 Sn4 O8",
"formula_reduced": "Zn(SnO2)2",
"formula_anonymous": "AB2C4",
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"spacegroup": 63
},
{
"id": "jvasp-9804",
"created_at": "2022-09-04T14:38:14.420925Z",
"updated_at": "2022-09-04T14:38:14.420960Z",
"structure_string": "Zn2 Sn4 O8\n1.0\n5.808099 0.000000 -3.049327\n-1.600935 5.583103 -3.049327\n-0.268554 -0.356383 6.544534\nZn Sn O\n2 4 8\ndirect\n0.375001 0.625000 0.750000 Zn\n0.625001 0.375000 0.250000 Zn\n0.000000 0.000000 0.500000 Sn\n0.000000 0.500000 -0.000000 Sn\n0.500000 0.000000 0.500000 Sn\n0.000000 0.000000 0.000000 Sn\n0.753939 0.761848 0.507875 O\n0.753976 0.246063 0.992124 O\n0.238153 0.246063 0.992124 O\n0.246063 0.238152 0.492124 O\n0.246063 0.753975 0.492124 O\n0.246026 0.753938 0.007875 O\n0.753939 0.246026 0.507875 O\n0.761849 0.753938 0.007875 O\n",
"nsites": 14,
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"elements": [
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"density_atomic": 0.07014121153825464,
"volume": 199.59735072959887,
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"formula_full": "Zn2 Sn4 O8",
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"formula_anonymous": "AB2C4",
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},
{
"id": "jvasp-10326",
"created_at": "2022-09-04T14:37:16.299888Z",
"updated_at": "2022-09-04T14:37:16.299915Z",
"structure_string": "Zn2 Sn4 O10\n1.0\n3.967517 -0.000000 -0.000000\n-1.983757 5.240512 0.000000\n-0.000000 0.000000 10.410376\nZn Sn O\n2 4 10\ndirect\n0.818714 0.637427 0.750000 Zn\n0.181287 0.362574 0.250000 Zn\n0.136153 0.272306 0.567440 Sn\n0.863848 0.727694 0.432560 Sn\n0.863848 0.727694 0.067441 Sn\n0.136153 0.272306 0.932561 Sn\n0.774395 0.548788 0.250000 O\n0.225606 0.451212 0.750000 O\n0.306669 0.613337 0.060398 O\n0.693333 0.386664 0.939602 O\n0.693333 0.386664 0.560398 O\n0.306669 0.613337 0.439601 O\n0.948568 0.897134 0.613324 O\n0.051432 0.102865 0.386676 O\n0.948568 0.897134 0.886676 O\n0.051432 0.102865 0.113325 O\n",
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"density": 5.873832895367047,
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"formula_full": "Zn2 Sn4 O10",
"formula_reduced": "ZnSn2O5",
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},
{
"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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"formula_full": "Zn2 Sn4 O10",
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"spacegroup": 2
},
{
"id": "jvasp-8066",
"created_at": "2022-09-04T14:36:42.079936Z",
"updated_at": "2022-09-04T14:36:42.079963Z",
"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",
"nsites": 8,
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],
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"volume": 260.13890433508914,
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"formula_full": "Zn2 Sn2 Sb4",
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{
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"created_at": "2022-09-04T14:36:36.395557Z",
"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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"density": 4.382304496048187,
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"volume": 186.47863308126162,
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"formula_full": "Zn2 Sn2 P4",
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},
{
"id": "jvasp-11204",
"created_at": "2022-09-04T14:37:17.730492Z",
"updated_at": "2022-09-04T14:37:17.730519Z",
"structure_string": "Zn2 Sn2 O6\n1.0\n4.712815 -0.014612 3.119079\n1.668479 4.407609 3.119079\n-0.021226 -0.014612 5.651445\nZn Sn O\n2 2 6\ndirect\n0.366160 0.366161 0.366160 Zn\n0.633840 0.633841 0.633840 Zn\n0.149110 0.149110 0.149110 Sn\n0.850890 0.850891 0.850890 Sn\n0.050040 0.758562 0.446235 O\n0.758563 0.446235 0.050040 O\n0.446234 0.050041 0.758562 O\n0.949960 0.241439 0.553765 O\n0.553766 0.949960 0.241438 O\n0.241437 0.553766 0.949960 O\n",
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"volume": 117.96251017190124,
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"formula_full": "Zn2 Sn2 O6",
"formula_reduced": "ZnSnO3",
"formula_anonymous": "ABC3",
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"spacegroup": 148
},
{
"id": "jvasp-11119",
"created_at": "2022-09-04T14:38:11.057966Z",
"updated_at": "2022-09-04T14:38:11.057991Z",
"structure_string": "Zn2 Sn2 O6\n1.0\n4.696533 -0.007380 3.109257\n1.666651 4.390872 3.109257\n-0.010713 -0.007380 5.632477\nZn Sn O\n2 2 6\ndirect\n0.282348 0.282348 0.282348 Zn\n0.782348 0.782347 0.782349 Zn\n0.002275 0.002275 0.002275 Sn\n0.502274 0.502274 0.502276 Sn\n0.606861 0.213447 0.893670 O\n0.213447 0.893668 0.606862 O\n0.893668 0.606860 0.213449 O\n0.393668 0.713447 0.106862 O\n0.106861 0.393668 0.713448 O\n0.713447 0.106861 0.393670 O\n",
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"formula_full": "Zn2 Sn2 O6",
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},
{
"id": "jvasp-9502",
"created_at": "2022-09-04T14:37:08.175188Z",
"updated_at": "2022-09-04T14:37:08.175217Z",
"structure_string": "Zn2 Sn2 F8\n1.0\n-5.084812 -0.011071 -0.025164\n-0.023848 -5.490643 -0.010583\n2.315529 2.012220 5.927319\nZn Sn F\n2 2 8\ndirect\n0.251792 0.249129 0.502167 Zn\n0.751801 0.749132 0.502166 Zn\n0.006654 0.511388 0.037151 Sn\n0.496950 0.986797 0.967185 Sn\n0.436514 0.709249 0.187371 F\n0.067065 0.789012 0.816961 F\n0.618010 0.089290 0.629979 F\n0.493164 0.601837 0.632347 F\n0.885628 0.409005 0.374348 F\n0.010424 0.896451 0.371973 F\n0.270963 0.222633 0.193517 F\n0.232693 0.275620 0.810845 F\n",
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"formula_full": "Zn2 Sn2 F8",
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"formula_anonymous": "ABC4",
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"spacegroup": 2
},
{
"id": "jvasp-8080",
"created_at": "2022-09-04T14:36:52.237304Z",
"updated_at": "2022-09-04T14:36:52.237331Z",
"structure_string": "Zn2 Sn2 As4\n1.0\n5.415316 0.000000 -2.419481\n-1.080987 5.306327 -2.419481\n0.006986 0.008552 7.285693\nZn Sn As\n2 2 4\ndirect\n0.000000 0.000000 0.000000 Zn\n0.250000 0.750000 0.500000 Zn\n0.500000 0.500000 0.000000 Sn\n0.750001 0.250000 0.500000 Sn\n0.350690 0.375000 0.250000 As\n0.899311 0.875000 0.250000 As\n0.125000 0.649310 0.750000 As\n0.625001 0.100690 0.750000 As\n",
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],
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"formula_full": "Zn2 Sn2 As4",
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"formula_anonymous": "ABC2",
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"spacegroup": 122
}
]
}