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{
"id": "jvasp-40663",
"created_at": "2022-09-04T14:37:56.984277Z",
"updated_at": "2022-09-04T14:37:56.984307Z",
"structure_string": "Li5 Mn2 Co3 O10\n1.0\n4.994936 -0.013288 0.037037\n0.828838 4.933557 0.011903\n2.438711 2.096201 6.894657\nLi Mn Co O\n5 2 3 10\ndirect\n0.499178 0.780330 0.408626 Li\n0.511944 0.588493 0.788049 Li\n0.000294 0.500832 0.499330 Li\n0.497873 0.215397 0.588707 Li\n0.498322 0.397354 0.213348 Li\n0.001513 0.900669 0.694533 Mn\n0.995010 0.104738 0.302349 Mn\n0.996461 0.306766 0.895853 Co\n0.013841 0.702620 0.105714 Co\n0.491039 0.986386 0.001062 Co\n0.223782 0.134792 0.454851 O\n0.226469 0.973632 0.843327 O\n0.772322 0.870197 0.542391 O\n0.767834 0.653275 0.930754 O\n0.247969 0.769188 0.254528 O\n0.224386 0.563677 0.666471 O\n0.765652 0.432751 0.343317 O\n0.764873 0.226779 0.762579 O\n0.227316 0.335443 0.052346 O\n0.770883 0.063476 0.141959 O\n",
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{
"id": "jvasp-49918",
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"updated_at": "2022-09-04T14:37:47.443969Z",
"structure_string": "Sm4 Ge10 Ru6\n1.0\n5.866739 -0.000390 -0.000050\n-2.932535 7.990986 0.013196\n-2.933034 -1.805230 7.784298\nSm Ge Ru\n4 10 6\ndirect\n0.731426 0.593205 0.869595 Sm\n0.231440 0.869598 0.593249 Sm\n0.768555 0.130402 0.406750 Sm\n0.268583 0.406795 0.130408 Sm\n0.673519 0.262192 0.084856 Ge\n0.250022 0.790934 0.209045 Ge\n0.173497 0.084871 0.262142 Ge\n0.749963 0.790969 0.209007 Ge\n0.749996 0.499979 0.500023 Ge\n0.250037 0.209029 0.790995 Ge\n0.826501 0.915128 0.737859 Ge\n0.749980 0.209067 0.790953 Ge\n0.326486 0.737808 0.915142 Ge\n0.250007 0.500023 0.499979 Ge\n0.749994 0.000007 0.999995 Ru\n0.093122 0.446356 0.739707 Ru\n0.593159 0.739739 0.446414 Ru\n0.406837 0.260263 0.553587 Ru\n0.906886 0.553646 0.260294 Ru\n0.250007 -0.000007 0.000005 Ru\n",
"nsites": 20,
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"formula_full": "Sm4 Ge10 Ru6",
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{
"id": "jvasp-21373",
"created_at": "2022-09-04T14:37:47.672413Z",
"updated_at": "2022-09-04T14:37:47.672430Z",
"structure_string": "K2 Rb4 Sc2 F12\n1.0\n0.000000 6.375002 0.000970\n6.397818 0.000000 0.000000\n0.000000 -6.354327 -9.024374\nK Rb Sc F\n2 4 2 12\ndirect\n0.499999 0.000000 0.500000 K\n0.500000 0.500000 0.000000 K\n0.244126 0.468968 0.249768 Rb\n0.755873 0.968968 0.250232 Rb\n0.755872 0.531032 0.750231 Rb\n0.244126 0.031032 0.749768 Rb\n0.000000 0.000000 0.000000 Sc\n-0.000000 0.500000 0.500000 Sc\n0.286023 0.482581 0.720098 F\n0.713975 0.982581 0.779902 F\n0.222595 0.814468 0.967357 F\n0.777403 0.314468 0.532642 F\n0.777403 0.185532 0.032642 F\n0.144702 0.257173 0.963395 F\n0.855297 0.742828 0.036605 F\n0.144702 0.242828 0.463395 F\n0.286024 0.017419 0.220098 F\n0.855296 0.757173 0.536605 F\n0.222596 0.685533 0.467357 F\n0.713975 0.517420 0.279902 F\n",
"nsites": 20,
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{
"id": "jvasp-26645",
"created_at": "2022-09-04T14:37:47.273744Z",
"updated_at": "2022-09-04T14:37:47.273770Z",
"structure_string": "Na5 Zr2 F13\n1.0\n5.526555 0.000000 -0.000000\n-2.763278 5.772344 -0.736705\n-0.000000 0.014628 8.468564\nNa Zr F\n5 2 13\ndirect\n0.336517 0.673035 0.071868 Na\n0.777787 0.555574 0.345397 Na\n0.500000 0.000000 0.500000 Na\n0.222213 0.444426 0.654602 Na\n0.663483 0.326965 0.928131 Na\n0.926686 0.853370 0.755192 Zr\n0.073315 0.146629 0.244807 Zr\n0.177026 0.875316 0.250885 F\n0.907108 0.268060 0.431336 F\n0.360953 0.268060 0.431336 F\n0.639047 0.731939 0.568663 F\n0.056789 0.636080 0.856998 F\n0.943211 0.363919 0.143001 F\n0.301709 0.124683 0.749114 F\n0.092892 0.731939 0.568663 F\n0.822975 0.124683 0.749114 F\n0.698291 0.875316 0.250885 F\n0.420709 0.363919 0.143001 F\n0.579291 0.636080 0.856998 F\n0.000000 0.000000 0.000000 F\n",
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{
"id": "jvasp-43157",
"created_at": "2022-09-04T14:37:40.389109Z",
"updated_at": "2022-09-04T14:37:40.389141Z",
"structure_string": "Li10 Co2 O8\n1.0\n6.372166 0.242128 -0.000005\n0.242130 6.372168 -0.000001\n-0.000005 0.000001 4.695608\nLi Co O\n10 2 8\ndirect\n0.041424 0.950893 0.778585 Li\n0.950893 0.041425 0.278586 Li\n0.781376 0.714218 0.803478 Li\n0.714217 0.781375 0.303478 Li\n0.541425 0.450893 0.221416 Li\n0.982052 0.482052 0.250001 Li\n0.450892 0.541425 0.721416 Li\n0.281375 0.214217 0.196523 Li\n0.214217 0.281375 0.696523 Li\n0.482051 0.982052 0.750001 Li\n0.256869 0.756871 0.250001 Co\n0.756873 0.256871 0.750001 Co\n0.737960 0.501091 0.519019 O\n0.001090 0.237960 0.980981 O\n0.237961 0.001093 0.480984 O\n0.265703 0.484401 0.415105 O\n0.484400 0.265703 0.915105 O\n0.501094 0.737961 0.019016 O\n0.765703 0.984402 0.584898 O\n0.984403 0.765704 0.084898 O\n",
"nsites": 20,
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"density_atomic": 0.10504886603771166,
"volume": 190.38758583857697,
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"formula_full": "Li10 Co2 O8",
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"formula_anonymous": "AB4C5",
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"spacegroup": 41
},
{
"id": "jvasp-30200",
"created_at": "2022-09-04T14:38:02.231557Z",
"updated_at": "2022-09-04T14:38:02.231568Z",
"structure_string": "B4 Sb4 O12\n1.0\n4.746582 -1.284140 -0.138526\n1.246147 4.756571 0.139200\n-0.654473 1.127150 11.548500\nB Sb O\n4 4 12\ndirect\n0.146527 0.364770 0.875631 B\n0.364774 0.146536 0.624377 B\n0.635226 0.853464 0.375622 B\n0.853473 0.635230 0.124368 B\n0.335006 0.998481 0.137248 Sb\n0.001509 0.665005 0.637248 Sb\n0.664994 0.001519 0.862752 Sb\n-0.001508 0.334995 0.362752 Sb\n0.781141 0.418786 0.198998 O\n0.418788 0.781104 0.300994 O\n0.881659 0.331185 0.904134 O\n0.668801 0.118337 0.404124 O\n0.331199 0.881663 0.595876 O\n0.331984 0.156467 0.921900 O\n0.581213 0.218896 0.699006 O\n0.218859 0.581214 0.801002 O\n0.668016 0.843533 0.078100 O\n0.156457 0.331980 0.578105 O\n0.118341 0.668815 0.095866 O\n0.843543 0.668020 0.421895 O\n",
"nsites": 20,
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],
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"volume": 277.9623971784902,
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"formula_full": "B4 Sb4 O12",
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},
{
"id": "jvasp-59574",
"created_at": "2022-09-04T14:38:02.135054Z",
"updated_at": "2022-09-04T14:38:02.135073Z",
"structure_string": "Na1 Mn7 O12\n1.0\n5.987595 -0.000000 -2.116935\n-2.993798 5.185410 -2.116935\n0.000000 0.000000 6.350804\nNa Mn O\n1 7 12\ndirect\n0.000000 0.000000 0.000000 Na\n0.500000 0.000000 0.000000 Mn\n0.500000 0.500000 0.000001 Mn\n0.500000 0.000000 0.500000 Mn\n0.500000 0.500000 0.500001 Mn\n-0.000000 0.500000 0.000000 Mn\n0.000000 0.000000 0.500000 Mn\n-0.000000 0.500000 0.500000 Mn\n0.311283 0.129043 0.817760 O\n0.870957 0.182240 0.688718 O\n0.817761 0.311283 0.129044 O\n0.506477 0.817760 0.688718 O\n0.688717 0.870957 0.182241 O\n0.129043 0.817760 0.311283 O\n0.493523 0.182240 0.311283 O\n0.311283 0.493523 0.182240 O\n0.817761 0.688717 0.506478 O\n0.182240 0.688717 0.870957 O\n0.182240 0.311283 0.493523 O\n0.688717 0.506477 0.817761 O\n",
"nsites": 20,
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"volume": 197.18061988036362,
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"formula_full": "Na1 Mn7 O12",
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"spacegroup": 204
},
{
"id": "jvasp-32241",
"created_at": "2022-09-04T14:37:56.624755Z",
"updated_at": "2022-09-04T14:37:56.624773Z",
"structure_string": "Sb2 Cl2 F16\n1.0\n5.084033 0.220909 -0.315084\n0.065553 5.599531 -0.009087\n-0.252552 0.249718 10.296942\nSb Cl F\n2 2 16\ndirect\n0.000000 0.000000 0.500000 Sb\n0.000000 0.000000 0.000000 Sb\n0.574860 0.394005 0.748997 Cl\n0.425139 0.605996 0.251002 Cl\n0.885356 0.728460 0.589060 F\n0.114643 0.271540 0.410939 F\n0.820755 0.836460 0.862209 F\n0.179244 0.163540 0.137791 F\n0.879368 0.211772 0.635942 F\n0.120631 0.788228 0.364058 F\n0.280973 0.045116 0.893127 F\n0.397634 0.455134 0.613986 F\n0.602366 0.544866 0.386013 F\n0.373801 0.527168 0.840439 F\n0.626198 0.472833 0.159561 F\n0.668280 0.041339 0.399549 F\n0.331720 0.958661 0.600451 F\n0.719026 0.954884 0.106873 F\n0.170620 0.691655 0.067414 F\n0.829379 0.308345 0.932586 F\n",
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{
"id": "jvasp-4285",
"created_at": "2022-09-04T14:38:02.159002Z",
"updated_at": "2022-09-04T14:38:02.159019Z",
"structure_string": "Sb8 S12\n1.0\n3.889911 0.000000 0.000000\n0.000000 11.199032 0.000000\n0.000000 0.000000 11.472339\nSb S\n8 12\ndirect\n0.750000 0.964672 0.349747 Sb\n0.250000 0.035328 0.650253 Sb\n0.250000 0.464672 0.150253 Sb\n0.750000 0.535328 0.849747 Sb\n0.250000 0.673232 0.474348 Sb\n0.750000 0.326768 0.525653 Sb\n0.750000 0.173232 0.025652 Sb\n0.250000 0.826768 0.974348 Sb\n0.750000 0.307923 0.207929 S\n0.250000 0.692076 0.792071 S\n0.750000 0.625150 0.049795 S\n0.250000 0.374849 0.950205 S\n0.250000 0.125150 0.450205 S\n0.250000 0.440665 0.624157 S\n0.750000 0.940664 0.875843 S\n0.250000 0.059335 0.124157 S\n0.750000 0.192077 0.707929 S\n0.750000 0.559335 0.375843 S\n0.750000 0.874849 0.549795 S\n0.250000 0.807923 0.292071 S\n",
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},
{
"id": "jvasp-54967",
"created_at": "2022-09-04T14:38:02.273100Z",
"updated_at": "2022-09-04T14:38:02.273122Z",
"structure_string": "Rb4 Yb4 Br12\n1.0\n7.645503 0.000000 0.000000\n-0.000000 7.963696 0.000000\n0.000000 0.000000 11.086886\nYb Rb Br\n4 4 12\ndirect\n0.500000 0.000000 0.500000 Yb\n0.500000 0.000000 0.000000 Yb\n0.000000 0.500000 0.500000 Yb\n0.000000 0.500000 0.000000 Yb\n0.479411 0.565953 0.750000 Rb\n0.520588 0.434048 0.250000 Rb\n0.979411 0.934048 0.250000 Rb\n0.020589 0.065952 0.750000 Rb\n0.803466 0.200484 0.460041 Br\n0.696533 0.700484 0.460041 Br\n0.196533 0.799517 0.539959 Br\n0.920581 0.489042 0.750000 Br\n0.803466 0.200484 0.039959 Br\n0.420581 0.010958 0.250000 Br\n0.079419 0.510958 0.250000 Br\n0.579419 0.989043 0.750000 Br\n0.303466 0.299517 0.539959 Br\n0.303466 0.299517 0.960041 Br\n0.696533 0.700484 0.039959 Br\n0.196533 0.799517 0.960041 Br\n",
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"volume": 675.0412593576795,
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},
{
"id": "jvasp-21249",
"created_at": "2022-09-04T14:37:56.485982Z",
"updated_at": "2022-09-04T14:37:56.486003Z",
"structure_string": "Mg4 Ge4 O12\n1.0\n5.164446 -0.032690 0.730838\n0.871541 6.529512 0.474538\n-0.037173 0.011109 6.604376\nMg Ge O\n4 4 12\ndirect\n0.250000 0.729990 0.270010 Mg\n0.750001 0.270009 0.729991 Mg\n0.250001 0.091914 0.908087 Mg\n0.750001 0.908086 0.091914 Mg\n0.290272 0.204989 0.396169 Ge\n0.709730 0.795011 0.603832 Ge\n0.790272 0.396169 0.204989 Ge\n0.209729 0.603831 0.795012 Ge\n0.370282 0.024898 0.205365 O\n0.129719 0.794635 0.975103 O\n0.600607 0.291023 0.433732 O\n0.616454 0.627911 0.138385 O\n0.883547 0.861615 0.372089 O\n0.383547 0.372089 0.861616 O\n0.116454 0.138385 0.627912 O\n0.100606 0.433732 0.291023 O\n0.399394 0.708977 0.566269 O\n0.899395 0.566268 0.708978 O\n0.870282 0.205364 0.024898 O\n0.629720 0.975102 0.794636 O\n",
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"formula_full": "Mg4 Ge4 O12",
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"spacegroup": 15
},
{
"id": "jvasp-39642",
"created_at": "2022-09-04T14:37:56.457658Z",
"updated_at": "2022-09-04T14:37:56.457677Z",
"structure_string": "Sr4 Te4 O12\n1.0\n0.000000 6.793373 -0.024664\n7.254667 0.000000 0.000000\n0.000000 -5.132111 -6.992336\nSr Te O\n4 4 12\ndirect\n0.863138 0.626878 0.131360 Sr\n0.136861 0.126878 0.368640 Sr\n0.136861 0.373122 0.868640 Sr\n0.863139 0.873122 0.631360 Sr\n0.375957 0.829846 0.101603 Te\n0.624043 0.329846 0.398396 Te\n0.624043 0.170154 0.898397 Te\n0.375957 0.670154 0.601604 Te\n0.772160 0.531280 0.568045 O\n0.227840 0.031280 0.931955 O\n0.401040 0.585743 0.819621 O\n0.598960 0.085743 0.680379 O\n0.598960 0.414257 0.180379 O\n0.916183 0.312125 0.023445 O\n0.083817 0.687876 0.976555 O\n0.916183 0.187875 0.523446 O\n0.772159 0.968720 0.068045 O\n0.083817 0.812125 0.476554 O\n0.401040 0.914258 0.319621 O\n0.227840 0.468720 0.431955 O\n",
"nsites": 20,
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],
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"formula_full": "Sr4 Te4 O12",
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"formula_anonymous": "ABC3",
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"spacegroup": 14
}
]
}