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{
"id": "jvasp-95157",
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"updated_at": "2022-09-04T14:36:17.359326Z",
"structure_string": "Sr1 Cu3 Ru4 O12\n1.0\n6.110276 0.000000 -2.160355\n-3.055151 5.291691 -2.160392\n-0.000009 -0.000062 6.481040\nSr Cu Ru O\n1 3 4 12\ndirect\n0.000000 0.000000 0.000000 Sr\n0.500000 0.000000 0.500000 Cu\n0.500000 0.500000 -0.000000 Cu\n0.000000 0.500000 0.500000 Cu\n0.000001 0.000000 0.500000 Ru\n0.499999 -0.000000 -0.000000 Ru\n0.500000 0.499999 0.500000 Ru\n0.000001 0.500001 0.000000 Ru\n0.690370 0.175829 0.866196 O\n0.485446 0.309626 0.175818 O\n0.866193 0.690370 0.175820 O\n0.175829 0.485459 0.309637 O\n0.175829 0.866194 0.690367 O\n0.824172 0.133807 0.309634 O\n0.309629 0.175825 0.485458 O\n0.309631 0.824171 0.133804 O\n0.824172 0.514541 0.690364 O\n0.690371 0.824175 0.514542 O\n0.133808 0.309630 0.824180 O\n0.514554 0.690374 0.824180 O\n",
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{
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"structure_string": "Sb4 As4 O12\n1.0\n4.538161 -0.010462 0.000000\n-0.481975 5.455757 0.000000\n0.000000 0.000000 13.082490\nSb As O\n4 4 12\ndirect\n0.491477 0.166161 0.854372 Sb\n0.508524 0.833840 0.145628 Sb\n0.991477 0.666161 0.645628 Sb\n0.008524 0.333840 0.354372 Sb\n0.464307 0.233379 0.591321 As\n0.035693 0.266621 0.091321 As\n0.535693 0.766622 0.408679 As\n0.964308 0.733380 0.908679 As\n0.431929 0.053156 0.708057 O\n0.068072 0.446844 0.208057 O\n0.402455 0.538617 0.638540 O\n0.860413 0.321843 0.591461 O\n0.639587 0.178158 0.091461 O\n0.139587 0.678158 0.408539 O\n0.360414 0.821843 0.908539 O\n0.902455 0.038616 0.861460 O\n0.597545 0.461384 0.361460 O\n0.097546 0.961384 0.138540 O\n0.931929 0.553157 0.791943 O\n0.568072 0.946845 0.291943 O\n",
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{
"id": "jvasp-51763",
"created_at": "2022-09-04T14:37:00.061632Z",
"updated_at": "2022-09-04T14:37:00.061666Z",
"structure_string": "Ca4 H8 O8\n1.0\n0.000000 5.413346 0.032901\n6.087819 0.000000 0.000000\n0.000000 -1.456287 -5.803589\nCa H O\n4 8 8\ndirect\n0.313575 0.571628 0.686080 Ca\n0.686425 0.071628 0.813920 Ca\n0.686425 0.428372 0.313920 Ca\n0.313576 0.928372 0.186080 Ca\n0.220061 0.219282 0.421820 H\n0.779940 0.719282 0.078181 H\n0.220060 0.280718 0.921820 H\n0.779940 0.780718 0.578181 H\n0.865562 -0.004073 0.303537 H\n0.865562 0.504073 0.803537 H\n0.134438 0.004073 0.696463 H\n0.134438 0.495927 0.196463 H\n0.595643 0.738176 0.003586 O\n0.073811 0.880492 0.773501 O\n0.926189 0.380492 0.726499 O\n0.926190 0.119508 0.226499 O\n0.073811 0.619508 0.273501 O\n0.404358 0.261824 0.996414 O\n0.595643 0.761824 0.503586 O\n0.404358 0.238176 0.496414 O\n",
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{
"id": "jvasp-43598",
"created_at": "2022-09-04T14:36:37.089237Z",
"updated_at": "2022-09-04T14:36:37.089264Z",
"structure_string": "Li4 Mn4 F12\n1.0\n6.110325 -0.000000 0.000000\n-0.000000 6.110325 -0.000000\n0.000000 0.000000 6.110325\nLi Mn F\n4 4 12\ndirect\n0.659713 0.659713 0.659713 Li\n0.840286 0.340286 0.159713 Li\n0.340286 0.159713 0.840286 Li\n0.159713 0.840286 0.340286 Li\n0.110080 0.610079 0.889919 Mn\n0.389920 0.389920 0.389920 Mn\n0.889919 0.110080 0.610079 Mn\n0.610079 0.889919 0.110080 Mn\n0.765549 0.615777 0.980816 F\n0.615777 0.980816 0.765549 F\n0.980816 0.765549 0.615777 F\n0.480817 0.734450 0.384223 F\n0.115777 0.519183 0.234451 F\n0.019183 0.265549 0.884222 F\n0.234451 0.115777 0.519183 F\n0.384223 0.480817 0.734450 F\n0.734450 0.384223 0.480817 F\n0.519183 0.234451 0.115777 F\n0.265549 0.884222 0.019183 F\n0.884222 0.019183 0.265549 F\n",
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{
"id": "jvasp-97488",
"created_at": "2022-09-04T14:36:12.104361Z",
"updated_at": "2022-09-04T14:36:12.104387Z",
"structure_string": "La4 Ga4 O12\n1.0\n5.551397 0.000000 0.000000\n-0.000000 5.554709 0.000000\n0.000000 0.000000 7.847768\nLa Ga O\n4 4 12\ndirect\n0.506437 0.529951 0.250000 La\n0.993564 0.029951 0.250000 La\n0.493563 0.470049 0.750000 La\n0.006437 0.970049 0.750000 La\n0.000000 0.500000 0.000000 Ga\n0.500000 0.000000 0.000000 Ga\n0.500000 0.000000 0.500000 Ga\n0.000000 0.500000 0.500000 Ga\n0.926667 0.512372 0.750000 O\n0.426667 0.987628 0.250000 O\n0.718180 0.282433 0.460686 O\n0.718180 0.282433 0.039315 O\n0.218179 0.217567 0.960686 O\n0.781821 0.782433 0.460686 O\n0.281821 0.717567 0.539315 O\n0.281821 0.717567 0.960686 O\n0.781821 0.782433 0.039315 O\n0.218179 0.217567 0.539315 O\n0.073334 0.487628 0.250000 O\n0.573334 0.012372 0.750000 O\n",
"nsites": 20,
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"spacegroup": 62
},
{
"id": "jvasp-48346",
"created_at": "2022-09-04T14:36:32.637203Z",
"updated_at": "2022-09-04T14:36:32.637232Z",
"structure_string": "Li5 Mn3 Cr2 O10\n1.0\n5.113462 0.007399 -0.012536\n-0.851569 5.068503 0.001974\n-2.401022 -2.246766 6.946290\nLi Mn Cr O\n5 3 2 10\ndirect\n0.082654 0.794324 0.583580 Li\n0.717360 0.607613 0.220276 Li\n0.501668 0.499479 0.500384 Li\n0.920630 0.204808 0.417114 Li\n0.286039 0.391353 0.780426 Li\n0.501721 0.999471 0.000365 Mn\n0.106550 0.306782 0.106681 Mn\n0.896899 0.692166 0.894054 Mn\n0.699495 0.099657 0.692697 Cr\n0.303927 0.899299 0.308040 Cr\n0.317588 0.133388 0.549414 O\n0.914485 0.926765 0.145708 O\n0.685835 0.865579 0.451318 O\n0.291443 0.673642 0.044117 O\n0.532396 0.769749 0.766862 O\n0.115019 0.550172 0.336102 O\n0.888397 0.448780 0.664627 O\n0.471060 0.229199 0.233879 O\n0.712012 0.325302 0.956623 O\n0.088960 0.072186 0.855018 O\n",
"nsites": 20,
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],
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"formula_full": "Li5 Mn3 Cr2 O10",
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},
{
"id": "jvasp-43389",
"created_at": "2022-09-04T14:36:13.290808Z",
"updated_at": "2022-09-04T14:36:13.290834Z",
"structure_string": "Li4 Mn1 W3 O12\n1.0\n0.000000 4.941456 -0.026173\n8.853891 0.000000 0.000000\n0.000000 -0.104899 -5.047017\nLi Mn W O\n4 1 3 12\ndirect\n0.000000 0.703895 0.000000 Li\n0.500000 0.833536 -0.000000 Li\n-0.000000 0.353019 0.500000 Li\n0.500000 0.196834 0.500000 Li\n0.000000 0.106346 0.000000 Mn\n0.500000 0.618334 0.500000 W\n0.500000 0.393925 -0.000000 W\n-0.000000 0.936705 0.500000 W\n0.804689 0.900265 0.187010 O\n0.292722 0.434067 0.312122 O\n0.227325 0.073403 0.343217 O\n0.256588 0.750873 0.348013 O\n0.743413 0.750873 0.651987 O\n0.295254 0.577170 0.810297 O\n0.707278 0.434067 0.687878 O\n0.195312 0.900265 0.812990 O\n0.704746 0.577170 0.189703 O\n0.262116 0.263465 0.835004 O\n0.772675 0.073403 0.656783 O\n0.737885 0.263465 0.164996 O\n",
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],
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"formula_full": "Li4 Mn1 W3 O12",
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{
"id": "jvasp-12138",
"created_at": "2022-09-04T14:37:00.228565Z",
"updated_at": "2022-09-04T14:37:00.228593Z",
"structure_string": "Cu2 Bi2 P4 Se12\n1.0\n6.613762 -0.000000 -0.000000\n-3.306880 5.727685 0.000000\n-0.000000 0.000000 13.294790\nCu Bi P Se\n2 2 4 12\ndirect\n0.000000 0.000000 0.750000 Cu\n0.000000 0.000000 0.250000 Cu\n0.333333 0.666668 0.750000 Bi\n0.666667 0.333333 0.250000 Bi\n0.666667 0.333333 0.836424 P\n0.666667 0.333333 0.663576 P\n0.333333 0.666668 0.163576 P\n0.333333 0.666668 0.336424 P\n0.296816 0.325691 0.118270 Se\n0.971123 0.674310 0.618270 Se\n0.028877 0.703185 0.118270 Se\n0.703185 0.674310 0.881730 Se\n0.325691 0.028877 0.881730 Se\n0.703184 0.028877 0.618270 Se\n0.971123 0.296816 0.881730 Se\n0.028877 0.325691 0.381730 Se\n0.325691 0.296816 0.618270 Se\n0.674309 0.971124 0.118270 Se\n0.296816 0.971124 0.381730 Se\n0.674309 0.703185 0.381730 Se\n",
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],
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{
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"created_at": "2022-09-04T14:36:14.133662Z",
"updated_at": "2022-09-04T14:36:14.133681Z",
"structure_string": "Er8 S8 O4\n1.0\n6.705479 0.000000 -1.140010\n0.000000 6.819105 0.000000\n-0.003320 0.000000 8.183673\nEr S O\n8 8 4\ndirect\n0.177187 0.355012 0.424205 Er\n0.822813 0.644989 0.575794 Er\n0.677188 0.144988 0.424205 Er\n0.250868 0.446011 0.862037 Er\n0.249132 0.946011 0.137963 Er\n0.749132 0.553990 0.137963 Er\n0.750868 0.053990 0.862037 Er\n0.322813 0.855012 0.575794 Er\n0.420984 0.631745 0.318221 S\n0.079016 0.131745 0.681779 S\n0.579016 0.368255 0.681779 S\n0.969530 0.722088 0.923960 S\n0.530470 0.222088 0.076040 S\n0.030470 0.277912 0.076040 S\n0.469530 0.777913 0.923960 S\n0.920984 0.868256 0.318221 S\n0.650005 0.913016 0.616714 O\n0.849996 0.413015 0.383285 O\n0.349996 0.086985 0.383285 O\n0.150004 0.586985 0.616714 O\n",
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{
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"created_at": "2022-09-04T14:36:13.593376Z",
"updated_at": "2022-09-04T14:36:13.593406Z",
"structure_string": "Nb4 O4 F12\n1.0\n8.463373 0.000000 0.000000\n0.000000 8.463373 -0.000000\n0.000000 -0.000000 3.923874\nNb O F\n4 4 12\ndirect\n0.645686 0.145686 0.793997 Nb\n0.145686 0.354314 0.206002 Nb\n0.854314 0.645686 0.206002 Nb\n0.354314 0.854314 0.793997 Nb\n0.629031 0.129031 0.256923 O\n0.129031 0.370969 0.743076 O\n0.870969 0.629031 0.743076 O\n0.370969 0.870969 0.256923 O\n0.877582 0.865775 0.249113 F\n0.377582 0.634224 0.750886 F\n0.634224 0.622418 0.249113 F\n0.103080 0.603080 0.247156 F\n0.896920 0.396920 0.247156 F\n0.865775 0.122418 0.750886 F\n0.622418 0.365775 0.750886 F\n0.122418 0.134224 0.249113 F\n0.134224 0.877582 0.750886 F\n0.396920 0.103080 0.752843 F\n0.365775 0.377582 0.249113 F\n0.603080 0.896920 0.752843 F\n",
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},
{
"id": "jvasp-43443",
"created_at": "2022-09-04T14:36:33.650829Z",
"updated_at": "2022-09-04T14:36:33.650855Z",
"structure_string": "Ag4 Au4 O12\n1.0\n-5.112869 5.112869 0.000000\n5.112869 -0.000000 5.112869\n5.112869 5.112869 0.000000\nAg Au O\n4 4 12\ndirect\n0.000000 0.000000 0.000000 Ag\n0.500000 0.500000 0.000000 Ag\n-0.000000 0.500000 0.000000 Ag\n-0.000000 0.000000 0.500000 Ag\n0.500000 0.000000 0.000000 Au\n0.500000 0.000000 0.500000 Au\n0.500000 0.500000 0.500000 Au\n-0.000000 0.500000 0.500000 Au\n0.409097 0.250000 0.840903 O\n0.159097 0.318194 0.590903 O\n0.159097 0.750000 0.159097 O\n0.590903 0.750000 0.590903 O\n0.840903 0.681806 0.409097 O\n0.590903 0.181806 0.159097 O\n0.840903 0.250000 0.840903 O\n0.590903 0.750000 0.159097 O\n0.409097 0.818194 0.840903 O\n0.840903 0.250000 0.409097 O\n0.409097 0.250000 0.409097 O\n0.159097 0.750000 0.590903 O\n",
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"formula_full": "Ag4 Au4 O12",
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{
"id": "jvasp-99017",
"created_at": "2022-09-04T14:36:19.205320Z",
"updated_at": "2022-09-04T14:36:19.205345Z",
"structure_string": "Tb4 Fe4 O12\n1.0\n5.152636 0.000000 0.000000\n0.000000 5.539015 0.000000\n0.000000 0.000000 7.396161\nTb Fe O\n4 4 12\ndirect\n0.979016 0.072853 0.250000 Tb\n0.520985 0.572854 0.250000 Tb\n0.020984 0.927147 0.750000 Tb\n0.479016 0.427147 0.750000 Tb\n0.500000 0.000000 0.000000 Fe\n0.000000 0.500000 0.000000 Fe\n0.000000 0.500000 0.500000 Fe\n0.500000 0.000000 0.500000 Fe\n0.903471 0.526026 0.750000 O\n0.403470 0.973975 0.250000 O\n0.691845 0.300912 0.451626 O\n0.691845 0.300912 0.048374 O\n0.191844 0.199088 0.951626 O\n0.808156 0.800913 0.451626 O\n0.308156 0.699088 0.548374 O\n0.308156 0.699088 0.951626 O\n0.808156 0.800913 0.048374 O\n0.191844 0.199088 0.548374 O\n0.096530 0.473975 0.250000 O\n0.596530 0.026026 0.750000 O\n",
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}
]
}