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{
"id": "jvasp-10599",
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{
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"structure_string": "Ca2 Cr4 O10\n1.0\n0.000000 4.874253 -0.001479\n3.599985 0.000000 0.000000\n0.000000 -0.003724 -11.285677\nCa Cr O\n2 4 10\ndirect\n0.123571 0.500001 0.250002 Ca\n0.876430 0.000000 0.749999 Ca\n0.592801 0.000000 0.096136 Cr\n0.407199 0.500001 0.903864 Cr\n0.407192 0.500001 0.596132 Cr\n0.592809 0.000000 0.403868 Cr\n0.557744 0.500001 0.750000 O\n0.442256 0.000000 0.250001 O\n0.465610 0.500001 0.074831 O\n0.534390 0.000000 0.925168 O\n0.465621 0.500001 0.425170 O\n0.534380 0.000000 0.574830 O\n0.931581 0.000000 0.373436 O\n0.068417 0.500001 0.626564 O\n0.068423 0.500001 0.873430 O\n0.931580 0.000000 0.126571 O\n",
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"formula_full": "Ca2 Cr4 O10",
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{
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"formula_full": "Ca2 Cr4 Cu6 Sb4 O24",
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{
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"updated_at": "2022-09-04T14:37:27.398511Z",
"structure_string": "Ca2 Cr3 O8\n1.0\n4.743615 -0.001871 -1.485069\n-0.871885 5.181929 -2.791506\n-0.003982 -0.038305 6.271711\nCa Cr O\n2 3 8\ndirect\n0.667099 0.726408 0.452815 Ca\n0.332903 0.273593 0.547184 Ca\n0.500002 0.999999 -0.000000 Cr\n1.000001 0.738721 -0.000000 Cr\n1.000000 0.261280 0.000000 Cr\n0.045651 0.399577 0.799156 O\n0.954352 0.600421 0.200843 O\n0.093563 0.901176 0.802353 O\n0.906439 0.098823 0.197646 O\n0.392405 0.321826 0.203048 O\n0.392406 0.881222 0.203048 O\n0.607598 0.118776 0.796951 O\n0.607598 0.678174 0.796951 O\n",
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{
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"updated_at": "2022-09-04T14:37:08.033109Z",
"structure_string": "Ca2 Cr2 Si4 O12\n1.0\n5.157354 -0.005868 1.056897\n1.237638 6.640718 0.594138\n-0.037810 -0.011614 6.781027\nCa Cr Si O\n2 2 4 12\ndirect\n0.750000 0.300762 0.699239 Ca\n0.250001 0.699238 0.300764 Ca\n0.249999 0.095273 0.904729 Cr\n0.749999 0.904730 0.095272 Cr\n0.274101 0.193518 0.379647 Si\n0.225898 0.620354 0.806483 Si\n0.774101 0.379647 0.193518 Si\n0.725899 0.806483 0.620354 Si\n0.639996 0.975460 0.789334 O\n0.860004 0.210665 0.024541 O\n0.672308 0.606531 0.116576 O\n0.827690 0.883426 0.393469 O\n0.327690 0.393468 0.883426 O\n0.982687 0.628063 0.675175 O\n0.017312 0.371937 0.324826 O\n0.482688 0.675175 0.628065 O\n0.360003 0.024541 0.210667 O\n0.517312 0.324827 0.371936 O\n0.172309 0.116574 0.606532 O\n0.139997 0.789335 0.975460 O\n",
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"formula_full": "Ca2 Cr2 Si4 O12",
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"spacegroup": 15
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{
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"created_at": "2022-09-04T14:37:31.979291Z",
"updated_at": "2022-09-04T14:37:31.979323Z",
"structure_string": "Ca2 Cr2 O8\n1.0\n5.793260 -0.003361 -1.653022\n-3.299356 4.761945 -1.653022\n0.001761 0.003361 6.024478\nCa Cr O\n2 2 8\ndirect\n0.875000 0.125000 0.750000 Ca\n0.125000 0.875001 0.250000 Ca\n0.625000 0.375000 0.250000 Cr\n0.375000 0.625001 0.750001 Cr\n0.214560 0.283347 0.568787 O\n0.645773 0.214560 0.431213 O\n0.283347 0.214560 0.068787 O\n0.214559 0.645773 0.931213 O\n0.354227 0.785441 0.568788 O\n0.785440 0.716654 0.431214 O\n0.785440 0.354228 0.068788 O\n0.716652 0.785441 0.931214 O\n",
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{
"id": "jvasp-102235",
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"updated_at": "2022-09-04T14:36:41.813060Z",
"structure_string": "Ca2 Cr2 N4\n1.0\n3.675740 -0.000000 -0.000000\n-0.000000 3.675740 -0.000000\n-0.000000 0.000000 7.335755\nCa Cr N\n2 2 4\ndirect\n0.750000 0.750000 0.160056 Ca\n0.250000 0.250000 0.839945 Ca\n0.750000 0.750000 0.593892 Cr\n0.250000 0.250000 0.406109 Cr\n0.750000 0.250000 0.500000 N\n0.250000 0.750000 0.500000 N\n0.750000 0.750000 0.835179 N\n0.250000 0.250000 0.164821 N\n",
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"formula_full": "Ca2 Cr2 N4",
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{
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"created_at": "2022-09-04T14:37:03.026006Z",
"updated_at": "2022-09-04T14:37:03.026039Z",
"structure_string": "Ca2 Cr2 Ge4 O12\n1.0\n5.381517 -0.120749 1.074612\n1.214935 6.667994 0.837243\n-0.127878 0.127123 6.826908\nCa Cr Ge O\n2 2 4 12\ndirect\n0.750001 0.308843 0.691156 Ca\n0.250001 0.691155 0.308844 Ca\n0.750001 0.911838 0.088160 Cr\n0.250000 0.088161 0.911839 Cr\n0.776511 0.387321 0.183639 Ge\n0.723491 0.816360 0.612678 Ge\n0.223490 0.612678 0.816361 Ge\n0.276511 0.183639 0.387322 Ge\n0.625434 0.982934 0.804956 O\n0.874568 0.195043 0.017064 O\n0.649068 0.637093 0.103850 O\n0.850934 0.896149 0.362906 O\n0.350933 0.362906 0.896150 O\n0.969137 0.603290 0.676778 O\n0.030864 0.396709 0.323222 O\n0.469137 0.676778 0.603290 O\n0.125434 0.804956 0.982935 O\n0.530865 0.323221 0.396709 O\n0.149067 0.103850 0.637094 O\n0.374567 0.017065 0.195043 O\n",
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{
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"structure_string": "Ca2 Cr2 F8\n1.0\n-5.461996 0.001524 -0.000870\n-0.001603 -5.461992 -0.003195\n2.730863 2.726823 5.311070\nCa Cr F\n2 2 8\ndirect\n0.250822 0.250131 0.500857 Ca\n0.750819 0.750137 0.500865 Ca\n0.500850 0.000149 0.000884 Cr\n0.000788 0.500137 0.000834 Cr\n0.448165 0.313402 0.261441 F\n0.187597 0.052762 0.740270 F\n0.553541 0.686880 0.740351 F\n0.053450 0.552757 0.740231 F\n0.814091 0.947521 0.261493 F\n0.314040 0.813374 0.261394 F\n0.948117 0.447459 0.261406 F\n0.687579 0.186863 0.740282 F\n",
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{
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"formula_full": "Ca2 Cr2 F10",
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{
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{
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"created_at": "2022-09-04T14:37:11.474225Z",
"updated_at": "2022-09-04T14:37:11.474245Z",
"structure_string": "Ca2 Co4 S8\n1.0\n6.330181 0.000000 -3.323427\n-1.744841 6.084961 -3.323427\n-0.287387 -0.381376 7.142919\nCa Co S\n2 4 8\ndirect\n0.375000 0.624999 0.749999 Ca\n0.625000 0.375000 0.249999 Ca\n-0.000000 -0.000000 0.500000 Co\n0.000000 0.500000 -0.000000 Co\n0.500000 -0.000000 0.499999 Co\n0.000000 0.000000 0.000000 Co\n0.773380 0.819260 0.546761 S\n0.772499 0.226619 0.953237 S\n0.180739 0.226619 0.953238 S\n0.226619 0.180739 0.453238 S\n0.226619 0.772500 0.453238 S\n0.227500 0.773381 0.046761 S\n0.773380 0.227500 0.546761 S\n0.819261 0.773381 0.046761 S\n",
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]
}