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{
"id": "jvasp-27712",
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"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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{
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"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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"volume": 166.19597430788795,
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"formula_full": "Ca2 Cr2 O8",
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"formula_anonymous": "ABC4",
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{
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"created_at": "2022-09-04T14:37:08.033075Z",
"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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{
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"created_at": "2022-09-04T14:37:27.398484Z",
"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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"formula_full": "Ca2 Cr3 O8",
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{
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"created_at": "2022-09-04T14:36:04.651692Z",
"updated_at": "2022-09-04T14:36:04.651734Z",
"structure_string": "Ca2 Cr4 Cu6 Sb4 O24\n1.0\n7.505579 -0.000000 -0.000000\n0.000000 7.505579 -0.000000\n0.000000 -0.000000 7.505579\nCa Cr Cu Sb O\n2 4 6 4 24\ndirect\n0.250000 0.250000 0.250000 Ca\n0.750000 0.750000 0.750000 Ca\n0.000000 0.500000 0.000000 Cr\n0.500000 0.000000 0.000000 Cr\n0.000000 0.000000 0.500000 Cr\n0.500000 0.500000 0.500000 Cr\n0.750000 0.250000 0.750000 Cu\n0.750000 0.250000 0.250000 Cu\n0.250000 0.750000 0.250000 Cu\n0.750000 0.750000 0.250000 Cu\n0.250000 0.750000 0.750000 Cu\n0.250000 0.250000 0.750000 Cu\n0.500000 0.500000 0.000000 Sb\n0.000000 0.500000 0.500000 Sb\n0.000000 0.000000 0.000000 Sb\n0.500000 0.000000 0.500000 Sb\n0.948394 0.253278 0.073044 O\n0.948394 0.246722 0.426956 O\n0.073044 0.551606 0.246722 O\n0.551606 0.246722 0.073044 O\n0.753278 0.926956 0.448394 O\n0.551606 0.253278 0.426956 O\n0.753278 0.573044 0.051606 O\n0.746722 0.926956 0.051606 O\n0.573044 0.051606 0.753278 O\n0.051606 0.746722 0.926956 O\n0.051606 0.753278 0.573044 O\n0.926956 0.448394 0.753278 O\n0.448394 0.753278 0.926956 O\n0.426956 0.551606 0.253278 O\n0.926956 0.051606 0.746722 O\n0.448394 0.746722 0.573044 O\n0.746722 0.573044 0.448394 O\n0.246722 0.073044 0.551606 O\n0.246722 0.426956 0.948394 O\n0.253278 0.073044 0.948394 O\n0.426956 0.948394 0.246722 O\n0.253278 0.426956 0.551606 O\n0.573044 0.448394 0.746722 O\n0.073044 0.948394 0.253278 O\n",
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"density_atomic": 0.09460354047186494,
"volume": 422.8171567415702,
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"formula_full": "Ca2 Cr4 Cu6 Sb4 O24",
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{
"id": "jvasp-10928",
"created_at": "2022-09-04T14:37:16.856917Z",
"updated_at": "2022-09-04T14:37:16.856939Z",
"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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{
"id": "jvasp-9967",
"created_at": "2022-09-04T14:37:19.736782Z",
"updated_at": "2022-09-04T14:37:19.736802Z",
"structure_string": "Ca2 Cr4 O8\n1.0\n3.012771 0.000000 0.000000\n-1.506386 4.896517 0.000000\n0.000000 -0.000000 9.938201\nCa Cr O\n2 4 8\ndirect\n0.388465 0.776934 0.750000 Ca\n0.611534 0.223067 0.250000 Ca\n0.864247 0.728498 0.069751 Cr\n0.135751 0.271502 0.930249 Cr\n0.864247 0.728498 0.430249 Cr\n0.135751 0.271502 0.569751 Cr\n0.236889 0.473781 0.393327 O\n0.763109 0.526219 0.606673 O\n0.763109 0.526219 0.893327 O\n0.236889 0.473781 0.106673 O\n0.941868 0.883740 0.250000 O\n0.058131 0.116261 0.750000 O\n0.500000 -0.000000 0.000000 O\n0.500000 -0.000000 0.500000 O\n",
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{
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"structure_string": "Ca2 Cr4 O8\n1.0\n3.074081 0.000438 0.000194\n1.536035 6.708640 -0.001107\n1.536172 1.194436 7.540785\nCa Cr O\n2 4 8\ndirect\n0.647019 0.853419 0.844632 Ca\n0.350646 0.113518 0.177252 Ca\n0.361991 0.433581 0.834514 Cr\n0.859765 0.787782 0.484771 Cr\n0.137913 0.179156 0.537113 Cr\n0.635676 0.533356 0.187371 Cr\n0.134781 0.401865 0.320656 O\n0.540632 0.211472 0.699361 O\n0.457045 0.755466 0.322524 O\n0.862888 0.565071 0.701227 O\n0.839324 0.309094 0.004326 O\n0.237854 0.887144 0.629236 O\n0.158340 0.657844 0.017560 O\n0.759817 0.079795 0.392648 O\n",
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{
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"created_at": "2022-09-04T14:38:31.508167Z",
"updated_at": "2022-09-04T14:38:31.508199Z",
"structure_string": "Ca2 Cr4 O8\n1.0\n5.343098 0.000000 3.084840\n1.781032 5.037522 3.084840\n-0.000000 -0.000000 6.169679\nCa Cr O\n2 4 8\ndirect\n0.875000 0.875000 0.875000 Ca\n0.125000 0.125000 0.125000 Ca\n0.500000 0.000000 0.500000 Cr\n-0.000000 0.500000 0.500000 Cr\n0.500000 0.500000 0.000000 Cr\n0.500000 0.500000 0.500000 Cr\n0.730524 0.730524 0.730524 O\n0.269476 0.269476 0.691573 O\n0.269476 0.691572 0.269476 O\n0.691573 0.269476 0.269476 O\n0.730524 0.308427 0.730524 O\n0.308427 0.730524 0.730524 O\n0.269476 0.269476 0.269476 O\n0.730524 0.730524 0.308428 O\n",
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"formula_full": "Ca2 Cr4 O8",
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{
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"created_at": "2022-09-04T14:37:30.704806Z",
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"structure_string": "Ca2 Cr4 O8\n1.0\n6.153307 -0.045731 -0.028641\n3.037049 5.351785 -0.028641\n3.040067 1.755184 4.964409\nCa Cr O\n2 4 8\ndirect\n0.125001 0.624999 0.625000 Ca\n0.625001 0.124999 0.625000 Ca\n0.994412 0.994410 0.005589 Cr\n0.255589 0.255588 0.244411 Cr\n0.625001 0.624999 0.125000 Cr\n0.625001 0.624999 0.625000 Cr\n0.394284 0.394282 0.340331 O\n0.409579 0.864554 0.362933 O\n0.394284 0.394282 0.871104 O\n0.864556 0.409578 0.362933 O\n0.385447 0.840420 0.887067 O\n0.840423 0.385444 0.887067 O\n0.855718 0.855716 0.378897 O\n0.855719 0.855716 0.909670 O\n",
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{
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"created_at": "2022-09-04T14:38:14.329858Z",
"updated_at": "2022-09-04T14:38:14.329884Z",
"structure_string": "Ca2 Cr4 O8\n1.0\n6.514556 -0.315466 -0.223068\n2.984076 5.168571 -0.000000\n2.984076 1.722857 4.872975\nCa Cr O\n2 4 8\ndirect\n0.050872 0.983043 0.983044 Ca\n0.090985 0.636338 0.636338 Ca\n0.548908 0.150364 0.150364 Cr\n0.600243 0.139786 0.629987 Cr\n0.600243 0.629986 0.139786 Cr\n0.600243 0.629986 0.629987 Cr\n0.396864 0.372242 0.372242 O\n0.396864 0.372242 0.858652 O\n0.396865 0.858651 0.372242 O\n0.776058 0.407981 0.407982 O\n0.433662 0.855446 0.855447 O\n0.786069 0.402092 0.905921 O\n0.786069 0.905920 0.402092 O\n0.786069 0.905920 0.905921 O\n",
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}
]
}