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{
"id": "jvasp-11194",
"created_at": "2022-09-04T14:37:14.320962Z",
"updated_at": "2022-09-04T14:37:14.320983Z",
"structure_string": "K6 Ge2 Se6\n1.0\n7.580819 0.010392 -2.024080\n-3.257610 6.845209 -2.024080\n0.008233 0.013057 8.431753\nK Ge Se\n6 2 6\ndirect\n0.500000 -0.000000 -0.000000 K\n0.000000 0.500000 0.000000 K\n0.210134 0.210134 0.680795 K\n0.789866 0.789866 0.319205 K\n0.660212 0.339788 0.500000 K\n0.339787 0.660213 0.500000 K\n0.117606 0.117606 0.152759 Ge\n0.882394 0.882395 0.847241 Ge\n0.374190 0.374190 0.132197 Se\n0.625810 0.625811 0.867803 Se\n0.946410 0.252703 0.304978 Se\n0.747296 0.053590 0.695022 Se\n0.053590 0.747297 0.695022 Se\n0.252703 0.946410 0.304978 Se\n",
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{
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"updated_at": "2022-09-04T14:37:14.350340Z",
"structure_string": "Mg2 Bi4 O8\n1.0\n3.394785 -0.000123 -0.000244\n-1.697146 6.489274 -0.039858\n-1.696940 -2.635635 9.637795\nMg Bi O\n2 4 8\ndirect\n0.490218 0.733389 0.239100 Mg\n0.490255 0.233549 0.739020 Mg\n0.692202 0.296949 0.079554 Bi\n0.692327 0.797070 0.579689 Bi\n0.288108 0.169867 0.398426 Bi\n0.288239 0.669988 0.898562 Bi\n0.655520 0.552507 0.750627 O\n0.655361 0.052294 0.250525 O\n0.325073 0.914643 0.727589 O\n0.324918 0.414429 0.227487 O\n0.110748 0.325656 0.887900 O\n0.110697 0.825559 0.387900 O\n0.869692 0.641277 0.090213 O\n0.869741 0.141377 0.590213 O\n",
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{
"id": "jvasp-10139",
"created_at": "2022-09-04T14:37:08.862386Z",
"updated_at": "2022-09-04T14:37:08.862407Z",
"structure_string": "K4 Cd4 O6\n1.0\n0.000000 6.477876 0.014232\n6.604627 0.000000 0.000000\n0.000000 -3.225012 -6.059620\nK Cd O\n4 4 6\ndirect\n0.847217 0.344140 0.094514 K\n0.847217 0.155861 0.594513 K\n0.152784 0.655861 0.905487 K\n0.152784 0.844140 0.405487 K\n0.341268 0.128913 0.081365 Cd\n0.341268 0.371087 0.581365 Cd\n0.658734 0.871087 0.918636 Cd\n0.658733 0.628914 0.418636 Cd\n0.000000 0.500000 0.500000 O\n0.641451 0.590968 0.740170 O\n0.358550 0.090968 0.759830 O\n0.358550 0.409032 0.259830 O\n0.000000 0.000000 0.000000 O\n0.641451 0.909033 0.240170 O\n",
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"volume": 258.95136615571283,
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{
"id": "jvasp-59907",
"created_at": "2022-09-04T14:37:08.975200Z",
"updated_at": "2022-09-04T14:37:08.975210Z",
"structure_string": "Ca2 Fe4 S8\n1.0\n6.882369 0.019978 0.012223\n3.423647 6.135918 0.017815\n3.425714 1.857738 5.846611\nCa Fe S\n2 4 8\ndirect\n0.999992 0.000015 0.000000 Ca\n0.000006 0.500004 0.499981 Ca\n0.499985 -0.000006 0.499999 Fe\n0.500006 0.000004 0.999980 Fe\n0.000026 0.999992 0.499998 Fe\n0.499995 0.500009 0.499999 Fe\n0.270483 0.760133 0.698910 S\n0.698947 0.761967 0.261951 S\n0.270492 0.198876 0.260143 S\n0.722910 0.238014 0.737998 S\n0.729526 0.801133 0.739819 S\n0.301048 0.238042 0.738028 S\n0.277109 0.761990 0.261978 S\n0.729512 0.239840 0.301134 S\n",
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"spacegroup": 74
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{
"id": "jvasp-50449",
"created_at": "2022-09-04T14:37:14.478333Z",
"updated_at": "2022-09-04T14:37:14.478351Z",
"structure_string": "Sr2 Sc4 O8\n1.0\n1.597241 5.244009 -0.000000\n-1.597241 5.244009 -0.000000\n0.000000 0.000000 10.646230\nSr Sc O\n2 4 8\ndirect\n0.111852 0.111852 0.250000 Sr\n0.888148 0.888148 0.750000 Sr\n0.365122 0.365122 0.429509 Sc\n0.634878 0.634878 0.570491 Sc\n0.365122 0.365122 0.070491 Sc\n0.634878 0.634878 0.929509 Sc\n0.000000 0.000000 0.000000 O\n0.000000 0.000000 0.500000 O\n0.262980 0.262980 0.604865 O\n0.435441 0.435441 0.250000 O\n0.564559 0.564559 0.750000 O\n0.737021 0.737021 0.395135 O\n0.262980 0.262980 0.895135 O\n0.737021 0.737021 0.104865 O\n",
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{
"id": "jvasp-11020",
"created_at": "2022-09-04T14:37:08.834584Z",
"updated_at": "2022-09-04T14:37:08.834595Z",
"structure_string": "Ca2 V4 O8\n1.0\n3.090623 -0.000449 -0.002081\n-1.544426 6.686230 -0.006254\n-1.540228 -1.382465 7.664324\nCa V O\n2 4 8\ndirect\n0.517074 0.863756 0.162407 Ca\n0.463390 0.103182 0.815707 Ca\n0.801697 0.434542 0.160917 V\n0.649495 0.777924 0.513226 V\n0.330911 0.189018 0.464889 V\n0.178774 0.532391 0.817200 V\n0.542198 0.400968 0.675459 O\n0.763118 0.216742 0.301641 O\n0.217273 0.750194 0.676472 O\n0.438307 0.565970 0.302656 O\n0.149541 0.301372 0.989851 O\n0.137208 0.891576 0.374920 O\n0.830884 0.665560 0.988264 O\n0.843226 0.075367 0.603195 O\n",
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"volume": 158.32239962178957,
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"formula_full": "Ca2 V4 O8",
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"spacegroup": 12
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{
"id": "jvasp-50433",
"created_at": "2022-09-04T14:37:14.973980Z",
"updated_at": "2022-09-04T14:37:14.974005Z",
"structure_string": "Zn2 In4 O8\n1.0\n0.000000 4.508815 4.508815\n4.508815 0.000000 4.508815\n4.508815 4.508815 -0.000000\nZn In O\n2 4 8\ndirect\n0.125000 0.125000 0.125000 Zn\n0.874999 0.874999 0.874999 Zn\n0.499999 0.499999 0.000000 In\n0.499999 0.000000 0.499999 In\n0.000000 0.499999 0.499999 In\n0.499999 0.499999 0.499999 In\n0.255965 0.255965 0.255965 O\n0.732102 0.255965 0.255965 O\n0.255965 0.732102 0.255965 O\n0.255965 0.255965 0.732102 O\n0.744034 0.744034 0.267897 O\n0.744034 0.267897 0.744034 O\n0.744034 0.744034 0.744034 O\n0.267897 0.744034 0.744034 O\n",
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{
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"created_at": "2022-09-04T14:37:08.774508Z",
"updated_at": "2022-09-04T14:37:08.774528Z",
"structure_string": "Tl8 O6\n1.0\n0.000000 7.696900 -0.020337\n3.536012 0.000000 0.000000\n0.000000 -3.645839 -10.435335\nTl O\n8 6\ndirect\n0.574145 0.250000 0.390631 Tl\n0.425856 0.750000 0.609370 Tl\n0.931814 0.750000 0.630837 Tl\n0.068187 0.250000 0.369164 Tl\n0.695563 0.750000 0.146008 Tl\n0.304438 0.250000 0.853993 Tl\n0.225776 0.750000 0.134447 Tl\n0.774224 0.250000 0.865554 Tl\n0.776530 0.750000 0.398931 O\n0.223470 0.250000 0.601069 O\n0.524806 0.750000 0.826957 O\n0.475195 0.250000 0.173044 O\n0.363954 0.750000 0.389085 O\n0.636047 0.250000 0.610915 O\n",
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{
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"created_at": "2022-09-04T14:37:08.734549Z",
"updated_at": "2022-09-04T14:37:08.734568Z",
"structure_string": "V4 O4 F6\n1.0\n3.784901 0.000000 0.000000\n1.892450 4.772265 0.000000\n-0.000000 -0.000000 9.642303\nV O F\n4 4 6\ndirect\n0.152882 0.694236 0.056892 V\n0.152882 0.694236 0.443108 V\n0.847118 0.305763 0.943108 V\n0.847118 0.305763 0.556892 V\n0.329277 0.341446 0.545852 O\n0.329277 0.341446 0.954147 O\n0.670723 0.658553 0.045853 O\n0.670723 0.658553 0.454147 O\n0.043672 0.912655 0.882848 F\n0.043672 0.912655 0.617151 F\n0.216350 0.567298 0.250000 F\n0.783650 0.432701 0.750000 F\n0.956328 0.087344 0.117151 F\n0.956328 0.087344 0.382848 F\n",
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{
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"created_at": "2022-09-04T14:37:08.725051Z",
"updated_at": "2022-09-04T14:37:08.725073Z",
"structure_string": "Li6 Bi2 S6\n1.0\n6.956467 2.310562 2.513048\n1.765712 7.114308 2.513048\n1.765712 1.907964 7.299896\nLi Bi S\n6 2 6\ndirect\n0.083165 0.368659 0.686413 Li\n0.313587 0.916834 0.631342 Li\n0.368659 0.686412 0.083166 Li\n0.631340 0.313587 0.916836 Li\n0.686413 0.083165 0.368660 Li\n0.916834 0.631340 0.313588 Li\n0.169186 0.169186 0.169187 Bi\n0.830813 0.830813 0.830815 Bi\n0.047930 0.769025 0.420284 S\n0.230974 0.579716 0.952071 S\n0.420283 0.047929 0.769026 S\n0.579716 0.952070 0.230975 S\n0.769026 0.420283 0.047931 S\n0.952070 0.230974 0.579718 S\n",
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{
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"created_at": "2022-09-04T14:37:08.715284Z",
"updated_at": "2022-09-04T14:37:08.715301Z",
"structure_string": "Li2 Mn2 V2 O8\n1.0\n5.189166 0.034760 0.000000\n-2.012398 4.783190 0.000000\n0.000000 -0.000000 6.298704\nLi Mn V O\n2 2 2 8\ndirect\n0.664490 0.335510 0.750000 Li\n0.335511 0.664489 0.250001 Li\n0.000000 0.000000 0.000000 Mn\n0.000000 0.000000 0.500000 Mn\n0.355112 0.644888 0.750000 V\n0.644888 0.355113 0.250001 V\n0.276020 0.240027 0.250001 O\n0.239397 0.760603 0.526425 O\n0.760605 0.239396 0.026426 O\n0.760605 0.239396 0.473573 O\n0.723978 0.759972 0.750000 O\n0.239397 0.760603 0.973574 O\n0.240026 0.276020 0.750000 O\n0.759972 0.723979 0.250001 O\n",
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"formula_full": "Li2 Mn2 V2 O8",
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},
{
"id": "jvasp-10757",
"created_at": "2022-09-04T14:37:14.820334Z",
"updated_at": "2022-09-04T14:37:14.820354Z",
"structure_string": "Al2 Co4 O8\n1.0\n5.067938 0.042061 2.857786\n1.688815 4.778458 2.857786\n0.058955 0.042061 5.817858\nAl Co O\n2 4 8\ndirect\n0.625001 0.625001 0.625002 Al\n0.374999 0.374999 0.374999 Al\n0.000000 0.500000 0.000000 Co\n0.000000 0.000000 0.000000 Co\n0.500000 -0.000000 0.000000 Co\n-0.000000 -0.000000 0.500000 Co\n0.247204 0.750935 0.750936 O\n0.249064 0.249064 0.752797 O\n0.249065 0.752796 0.249065 O\n0.249070 0.249070 0.249070 O\n0.750936 0.750935 0.247205 O\n0.752796 0.249064 0.249065 O\n0.750935 0.247204 0.750937 O\n0.750930 0.750930 0.750931 O\n",
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"formula_anonymous": "AB2C4",
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"spacegroup": 227
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]
}