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{
"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",
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{
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"structure_string": "Zn4 Sn4 O8\n1.0\n3.418879 0.194172 0.036682\n1.203731 8.143028 -0.051920\n1.611666 0.275752 9.147775\nZn Sn O\n4 4 8\ndirect\n0.582670 0.017532 0.318780 Zn\n0.413357 0.962386 0.709422 Zn\n0.307280 0.774815 0.099731 Zn\n0.688771 0.205097 0.928470 Zn\n0.817749 0.293752 0.574943 Sn\n-0.017419 0.361073 0.183238 Sn\n0.013465 0.618845 0.844963 Sn\n0.178271 0.686168 0.453259 Sn\n0.574065 0.811735 0.539046 O\n0.114927 0.337259 0.948880 O\n0.881121 0.642656 0.079319 O\n0.421958 0.168184 0.489156 O\n0.835066 0.091520 0.740491 O\n0.589256 0.182554 0.149048 O\n0.160965 0.888397 0.287710 O\n0.406788 0.797360 0.879152 O\n",
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"formula_anonymous": "ABC2",
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"spacegroup": 12
},
{
"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",
"nsites": 10,
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"elements": [
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],
"chemical_system": "O-Sn-Zn",
"density": 6.534952131285139,
"density_atomic": 0.08477269587962707,
"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-114393",
"created_at": "2022-09-04T14:38:41.159881Z",
"updated_at": "2022-09-04T14:38:41.159897Z",
"structure_string": "Zn1 Sn1 O4\n1.0\n-2.013180 2.013180 4.918479\n2.013180 -2.013180 4.918479\n2.013180 2.013180 -4.918479\nZn Sn O\n1 1 4\ndirect\n0.750000 0.250000 0.500000 Zn\n0.000000 0.000000 0.000000 Sn\n0.545025 0.045025 0.500000 O\n0.213055 0.213055 0.000000 O\n0.954975 0.454975 0.500000 O\n0.786944 0.786944 0.000000 O\n",
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"volume": 79.73629045468576,
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"formula_full": "Zn1 Sn1 O4",
"formula_reduced": "ZnSnO4",
"formula_anonymous": "ABC4",
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"spacegroup": 119
},
{
"id": "jvasp-114391",
"created_at": "2022-09-04T14:38:41.093149Z",
"updated_at": "2022-09-04T14:38:41.093179Z",
"structure_string": "Zn1 Sn1 O1\n1.0\n6.604132 -0.000000 0.000000\n-0.000000 6.604132 0.000000\n0.000000 0.000000 4.762595\nZn Sn O\n1 1 1\ndirect\n-0.019730 0.275924 0.000000 Zn\n0.293925 -0.018177 0.000000 Sn\n-0.038107 -0.042383 0.000000 O\n",
"nsites": 3,
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"formula_full": "Zn1 Sn1 O1",
"formula_reduced": "ZnSnO",
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"spacegroup": 6
},
{
"id": "jvasp-119568",
"created_at": "2022-09-04T14:38:53.403402Z",
"updated_at": "2022-09-04T14:38:53.403431Z",
"structure_string": "Zn4 Sn2 O8\n1.0\n5.348834 -0.000000 3.088151\n1.782945 5.042929 3.088151\n-0.000000 -0.000000 6.176302\nZn Sn O\n4 2 8\ndirect\n0.624999 0.125000 0.125000 Zn\n0.124999 0.625000 0.125000 Zn\n0.125000 0.125000 0.625000 Zn\n0.125000 0.125000 0.125000 Zn\n0.499999 0.500000 0.500000 Sn\n0.749999 0.750000 0.750000 Sn\n0.896799 0.367734 0.367734 O\n0.367733 0.896800 0.367734 O\n0.367733 0.367734 0.896800 O\n0.367733 0.367734 0.367734 O\n0.353199 0.882266 0.882266 O\n0.882265 0.353200 0.882266 O\n0.882265 0.882266 0.353200 O\n0.882265 0.882266 0.882266 O\n",
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"density": 6.250022831394237,
"density_atomic": 0.08403448420101528,
"volume": 166.59827371000696,
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"formula_full": "Zn4 Sn2 O8",
"formula_reduced": "Zn2SnO4",
"formula_anonymous": "AB2C4",
"energy_above_hull": 0.8996894999999998,
"spacegroup": 227
},
{
"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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"formula_full": "Zn2 Sn4 O10",
"formula_reduced": "ZnSn2O5",
"formula_anonymous": "AB2C5",
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"spacegroup": 63
},
{
"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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"formula_anonymous": "ABC3",
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"spacegroup": 161
},
{
"id": "jvasp-9286",
"created_at": "2022-09-04T14:37:35.966952Z",
"updated_at": "2022-09-04T14:37:35.966977Z",
"structure_string": "Zn1 Sn4 O8\n1.0\n3.259821 0.023470 0.326247\n-1.641468 7.456147 -0.583366\n-0.764840 -2.423963 7.805636\nZn Sn O\n1 4 8\ndirect\n0.736560 0.131766 0.859692 Zn\n0.780489 0.219900 0.469750 Sn\n0.498846 0.656597 0.809842 Sn\n0.372454 0.403586 0.148199 Sn\n0.085424 0.829725 0.466414 Sn\n0.513918 0.686751 0.324815 O\n0.850802 0.360296 0.298245 O\n0.026603 0.712178 0.655816 O\n0.353892 0.366639 0.619740 O\n0.189617 0.038210 0.349209 O\n0.232932 0.124444 0.979290 O\n0.678535 0.015916 0.605687 O\n0.892971 0.444635 0.004512 O\n",
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"formula_reduced": "Zn(SnO2)4",
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"spacegroup": 8
},
{
"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-30684",
"created_at": "2022-09-04T14:38:33.794147Z",
"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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"formula_full": "Zn4 Sn4 O8",
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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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"formula_full": "Zn2 Sn4 O10",
"formula_reduced": "ZnSn2O5",
"formula_anonymous": "AB2C5",
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"spacegroup": 2
}
]
}