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{
"id": "jvasp-46697",
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"updated_at": "2022-09-04T14:38:07.770797Z",
"structure_string": "Li2 Mn6 O2 F10\n1.0\n6.221437 -0.017105 -0.007206\n-0.229886 6.265611 -0.020806\n-0.270383 -0.271557 6.240233\nLi Mn O F\n2 6 2 10\ndirect\n0.488262 0.502214 0.514124 Li\n0.007029 0.016076 0.023043 Li\n0.726752 0.445514 0.913432 Mn\n0.065591 0.242351 0.550091 Mn\n0.589387 0.077830 0.263421 Mn\n0.437101 0.905933 0.752422 Mn\n0.926863 0.759215 0.426211 Mn\n0.262753 0.565760 0.057623 Mn\n0.460785 0.597162 0.819754 O\n0.909324 0.061492 0.321494 O\n0.933113 0.681961 0.073695 F\n0.688325 0.096944 0.909589 F\n0.067034 0.307859 0.900486 F\n0.406402 0.184217 0.548833 F\n0.817120 0.474150 0.582997 F\n0.187132 0.534737 0.390173 F\n0.545112 0.403570 0.205064 F\n0.090667 0.909607 0.705829 F\n0.576628 0.794806 0.449011 F\n0.314624 0.938596 0.092688 F\n",
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{
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"structure_string": "Nd2 B6 O12\n1.0\n5.673662 -0.016571 2.917831\n-0.161071 5.671399 2.917831\n-0.011174 -0.011463 6.364238\nNd B O\n2 6 12\ndirect\n0.698229 0.301772 0.750000 Nd\n0.301771 0.698229 0.250000 Nd\n0.158319 0.291120 0.914710 B\n0.708881 0.841683 0.585289 B\n0.279353 0.720648 0.750000 B\n0.291119 0.158318 0.414711 B\n0.841682 0.708881 0.085289 B\n0.720648 0.279352 0.250000 B\n0.711501 0.888902 0.003228 O\n0.111099 0.288499 0.496772 O\n0.717083 0.494600 0.288256 O\n0.282918 0.505401 0.711743 O\n0.494600 0.717083 0.788256 O\n0.710344 0.085669 0.492719 O\n0.914331 0.289656 0.007281 O\n0.289656 0.914332 0.507280 O\n0.085670 0.710345 0.992719 O\n0.888902 0.711502 0.503228 O\n0.288499 0.111099 0.996771 O\n0.505400 0.282917 0.211743 O\n",
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{
"id": "jvasp-36948",
"created_at": "2022-09-04T14:38:19.785029Z",
"updated_at": "2022-09-04T14:38:19.785051Z",
"structure_string": "Rb4 Ca4 Br12\n1.0\n4.355302 -0.000000 0.000000\n0.000000 9.504092 0.000000\n0.000000 0.000000 15.952080\nRb Ca Br\n4 4 12\ndirect\n0.750000 0.077579 0.323767 Rb\n0.250000 0.922420 0.676233 Rb\n0.750000 0.577579 0.176233 Rb\n0.250000 0.422420 0.823767 Rb\n0.250000 0.169089 0.057635 Ca\n0.750000 0.830910 0.942365 Ca\n0.250000 0.669090 0.442365 Ca\n0.750000 0.330910 0.557635 Ca\n0.750000 0.701458 0.784843 Br\n0.250000 0.298541 0.215157 Br\n0.750000 0.476567 0.395177 Br\n0.250000 0.523433 0.604823 Br\n0.750000 0.976567 0.104823 Br\n0.250000 0.663672 0.008420 Br\n0.250000 0.163671 0.491580 Br\n0.750000 0.836328 0.508420 Br\n0.250000 0.798541 0.284843 Br\n0.750000 0.336329 0.991580 Br\n0.250000 0.023433 0.895177 Br\n0.750000 0.201458 0.715157 Br\n",
"nsites": 20,
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{
"id": "jvasp-46808",
"created_at": "2022-09-04T14:38:07.236701Z",
"updated_at": "2022-09-04T14:38:07.236721Z",
"structure_string": "Li2 Co2 Si4 O12\n1.0\n6.357326 -0.005572 -0.017530\n-0.718914 6.316549 0.017530\n-1.383235 1.235823 4.939165\nLi Co Si O\n2 2 4 12\ndirect\n0.259541 0.259541 0.250000 Li\n0.740460 0.740459 0.750001 Li\n0.084397 0.084397 0.750001 Co\n0.915603 0.915602 0.250000 Co\n0.204834 0.606686 0.754269 Si\n0.393314 0.795166 0.254268 Si\n0.606687 0.204834 0.745733 Si\n0.795166 0.393313 0.245732 Si\n0.803086 0.024398 0.860045 O\n0.638867 0.358842 0.454600 O\n0.637313 0.902794 0.324273 O\n0.641158 0.361133 0.954601 O\n0.358842 0.638867 0.045400 O\n0.097206 0.362688 0.824274 O\n0.361134 0.641158 0.545401 O\n0.196915 0.975602 0.139956 O\n0.902794 0.637312 0.175727 O\n0.024399 0.803085 0.639957 O\n0.362688 0.097206 0.675728 O\n0.975602 0.196915 0.360044 O\n",
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"formula_full": "Li2 Co2 Si4 O12",
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{
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"created_at": "2022-09-04T14:38:04.757563Z",
"updated_at": "2022-09-04T14:38:04.757594Z",
"structure_string": "Na6 Cr2 Cl12\n1.0\n3.390842 -5.873112 -0.000000\n3.390842 5.873112 0.000000\n-0.000000 -0.000000 11.969998\nNa Cr Cl\n6 2 12\ndirect\n0.000000 0.000000 0.250000 Na\n0.000000 0.000000 0.750000 Na\n0.333333 0.666667 0.542775 Na\n0.333333 0.666667 0.957225 Na\n0.666667 0.333333 0.457225 Na\n0.666667 0.333333 0.042775 Na\n0.666667 0.333333 0.750000 Cr\n0.333333 0.666667 0.250000 Cr\n0.678425 0.056065 0.633820 Cl\n0.943934 0.622359 0.633820 Cl\n0.943935 0.321574 0.866180 Cl\n0.678425 0.622359 0.866180 Cl\n0.056065 0.377640 0.366180 Cl\n0.321574 0.377640 0.133820 Cl\n0.622359 0.678425 0.366180 Cl\n0.321574 0.943935 0.366180 Cl\n0.377640 0.321574 0.633820 Cl\n0.056065 0.678425 0.133820 Cl\n0.377640 0.056065 0.866180 Cl\n0.622359 0.943934 0.133820 Cl\n",
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{
"id": "jvasp-52528",
"created_at": "2022-09-04T14:38:06.774219Z",
"updated_at": "2022-09-04T14:38:06.774244Z",
"structure_string": "Li4 Sb4 O12\n1.0\n5.987931 0.000000 -0.000000\n0.000000 5.987931 0.000000\n-0.000000 -0.000000 5.987931\nLi Sb O\n4 4 12\ndirect\n0.873985 0.873985 0.873985 Li\n0.626014 0.126014 0.373985 Li\n0.373985 0.626014 0.126014 Li\n0.126014 0.373985 0.626014 Li\n0.091097 0.908903 0.408903 Sb\n0.408903 0.091097 0.908903 Sb\n0.591097 0.591097 0.591097 Sb\n0.908903 0.408903 0.091097 Sb\n0.773057 0.864922 0.514558 O\n0.726943 0.135078 0.014558 O\n0.635078 0.485442 0.273057 O\n0.485442 0.273057 0.635078 O\n0.514558 0.773057 0.864922 O\n0.135078 0.014558 0.726943 O\n0.273057 0.635078 0.485442 O\n0.226943 0.364922 0.985441 O\n0.864922 0.514558 0.773057 O\n0.985441 0.226943 0.364922 O\n0.364922 0.985441 0.226943 O\n0.014558 0.726943 0.135078 O\n",
"nsites": 20,
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{
"id": "jvasp-52101",
"created_at": "2022-09-04T14:38:29.092978Z",
"updated_at": "2022-09-04T14:38:29.092989Z",
"structure_string": "Er8 Sn4 Au8\n1.0\n7.868595 0.000000 0.000000\n0.000000 7.868595 0.000000\n0.000000 0.000000 7.392906\nEr Sn Au\n8 4 8\ndirect\n0.341908 0.658092 0.000000 Er\n0.158092 0.158092 0.500000 Er\n0.841909 0.841909 0.500000 Er\n0.658092 0.341908 0.000000 Er\n0.180460 0.180460 0.000000 Er\n0.680461 0.319540 0.500000 Er\n0.319540 0.680461 0.500000 Er\n0.819540 0.819540 0.000000 Er\n0.500000 0.000000 0.250000 Sn\n0.500000 0.000000 0.750000 Sn\n0.000000 0.500000 0.250000 Sn\n0.000000 0.500000 0.750000 Sn\n0.628527 0.628527 0.726944 Au\n0.371474 0.371474 0.726944 Au\n0.871474 0.128526 0.226944 Au\n0.128526 0.871474 0.226944 Au\n0.628527 0.628527 0.273056 Au\n0.128526 0.871474 0.773057 Au\n0.871474 0.128526 0.773057 Au\n0.371474 0.371474 0.273056 Au\n",
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{
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"created_at": "2022-09-04T14:38:13.347345Z",
"updated_at": "2022-09-04T14:38:13.347368Z",
"structure_string": "Al4 Bi4 O12\n1.0\n5.371684 -0.000000 0.000000\n0.000000 5.411138 0.000000\n0.000000 0.000000 9.409076\nAl Bi O\n4 4 12\ndirect\n0.957023 0.029132 0.750000 Al\n0.457023 0.470868 0.250000 Al\n0.542976 0.529132 0.750000 Al\n0.042976 0.970868 0.250000 Al\n0.000000 0.500000 0.500000 Bi\n0.500000 0.000000 0.500000 Bi\n0.500000 0.000000 0.000000 Bi\n0.000000 0.500000 0.000000 Bi\n0.664548 0.211259 0.750000 O\n0.164548 0.288741 0.250000 O\n0.624295 0.368820 0.100778 O\n0.124295 0.131180 0.899222 O\n0.875704 0.868820 0.399222 O\n0.124295 0.131180 0.600778 O\n0.375705 0.631180 0.899222 O\n0.875704 0.868820 0.100778 O\n0.335452 0.788741 0.250000 O\n0.624295 0.368820 0.399222 O\n0.375705 0.631180 0.600778 O\n0.835451 0.711259 0.750000 O\n",
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{
"id": "jvasp-29496",
"created_at": "2022-09-04T14:38:04.333633Z",
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"structure_string": "Ag2 Pb8 Cl2 O8\n1.0\n6.345376 0.000000 -0.000000\n-0.000000 8.285338 0.000002\n0.000000 -0.000002 8.285338\nAg Pb Cl O\n2 8 2 8\ndirect\n0.914311 0.750000 0.750000 Ag\n0.085690 0.250000 0.250000 Ag\n0.234295 0.602955 0.062221 Pb\n0.765706 0.937779 0.102955 Pb\n0.765706 0.562221 0.397045 Pb\n0.765706 0.397045 0.937779 Pb\n0.234295 0.062221 0.897045 Pb\n0.234295 0.437779 0.602955 Pb\n0.234295 0.897045 0.437779 Pb\n0.765706 0.102955 0.562221 Pb\n0.488862 0.250000 0.250000 Cl\n0.511139 0.750000 0.750000 Cl\n0.919714 0.993507 0.340774 O\n0.080286 0.840774 0.006493 O\n0.080286 0.006493 0.659226 O\n0.080286 0.659226 0.493507 O\n0.080286 0.493507 0.840774 O\n0.919714 0.506493 0.159226 O\n0.919714 0.340774 0.506493 O\n0.919714 0.159226 0.993507 O\n",
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{
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"created_at": "2022-09-04T14:38:13.392794Z",
"updated_at": "2022-09-04T14:38:13.392825Z",
"structure_string": "V4 Cd4 O12\n1.0\n5.307203 -0.000000 0.000000\n-0.000000 5.379474 0.000000\n0.000000 0.000000 7.583733\nV Cd O\n4 4 12\ndirect\n0.500000 0.000000 0.500000 V\n0.000000 0.500000 0.500000 V\n0.000000 0.500000 0.000000 V\n0.500000 0.000000 0.000000 V\n0.007989 0.964704 0.750000 Cd\n0.507989 0.535295 0.250000 Cd\n0.492010 0.464704 0.750000 Cd\n0.992010 0.035296 0.250000 Cd\n0.586952 0.021598 0.750000 O\n0.086952 0.478401 0.250000 O\n0.704893 0.291148 0.044510 O\n0.204893 0.208852 0.955489 O\n0.795106 0.791148 0.455490 O\n0.204893 0.208852 0.544510 O\n0.295107 0.708851 0.955489 O\n0.795106 0.791148 0.044510 O\n0.913047 0.521598 0.750000 O\n0.704893 0.291148 0.455490 O\n0.295107 0.708851 0.544510 O\n0.413047 0.978401 0.250000 O\n",
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{
"id": "jvasp-4480",
"created_at": "2022-09-04T14:38:05.221796Z",
"updated_at": "2022-09-04T14:38:05.221820Z",
"structure_string": "Ca4 Si4 O12\n1.0\n5.882171 0.000126 -2.072049\n-2.948288 5.089875 -2.071901\n-0.000177 -0.000125 6.236451\nCa Si O\n4 4 12\ndirect\n0.000000 0.000000 0.000000 Ca\n0.500000 0.500000 -0.000000 Ca\n0.500000 -0.000000 0.500000 Ca\n-0.000001 0.499999 0.499999 Ca\n0.499999 0.499999 0.499999 Si\n0.500000 0.000000 0.000000 Si\n-0.000000 0.500000 -0.000000 Si\n-0.000001 -0.000000 0.500000 Si\n0.989437 0.739243 0.250195 O\n0.739240 0.489044 0.749803 O\n0.010561 0.260756 0.749804 O\n0.260758 0.510955 0.250196 O\n0.260760 0.010567 0.749807 O\n0.239349 0.760652 -0.000001 O\n0.760653 0.760652 0.521304 O\n0.760651 0.239348 0.000001 O\n0.489046 0.739242 0.749805 O\n0.239345 0.239347 0.478695 O\n0.510952 0.260757 0.250194 O\n0.739238 0.989432 0.250192 O\n",
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"formula_full": "Ca4 Si4 O12",
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},
{
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"created_at": "2022-09-04T14:38:29.274980Z",
"updated_at": "2022-09-04T14:38:29.275009Z",
"structure_string": "Ba4 Na1 Bi3 O12\n1.0\n7.082424 -0.000000 -2.504015\n-3.541211 6.133559 -2.504015\n-0.000000 0.000000 7.512044\nBa Na Bi O\n4 1 3 12\ndirect\n0.000000 0.000000 0.500000 Ba\n0.000000 0.500000 0.000000 Ba\n0.500000 0.500000 0.500000 Ba\n0.500000 0.000000 0.000000 Ba\n0.000000 0.000000 0.000000 Na\n0.500000 0.500000 0.000001 Bi\n0.000000 0.500000 0.500000 Bi\n0.500000 0.000000 0.500000 Bi\n0.500000 0.250000 0.750000 O\n0.000000 0.263255 0.263255 O\n0.263255 0.000000 0.263255 O\n0.736744 0.000000 0.736745 O\n0.250000 0.750000 0.500000 O\n0.750000 0.250000 0.500000 O\n0.250000 0.500000 0.750000 O\n0.263255 0.263255 0.000000 O\n0.750000 0.500000 0.250001 O\n0.000000 0.736745 0.736745 O\n0.500000 0.750000 0.250001 O\n0.736745 0.736745 0.000001 O\n",
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}
]
}