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{
"id": "jvasp-109810",
"created_at": "2022-09-04T14:38:06.076417Z",
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"structure_string": "Mn4 O6\n1.0\n4.934602 -0.228184 0.107444\n2.578561 3.458795 2.403288\n-0.122864 -0.104217 5.356064\nMn O\n4 6\ndirect\n0.653555 0.692983 0.960465 Mn\n0.846443 0.307045 0.539535 Mn\n0.153553 0.692961 0.460458 Mn\n0.346448 0.307016 0.039537 Mn\n0.560475 0.500026 0.749983 O\n0.749977 0.810553 0.249980 O\n0.060434 0.189538 0.250003 O\n0.939569 0.810460 0.749995 O\n0.250023 0.189451 0.750018 O\n0.439521 0.499976 0.250016 O\n",
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{
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"structure_string": "Li12 Al4 F24\n1.0\n4.891268 0.000000 0.000000\n0.000000 8.279740 0.000000\n0.000000 0.000000 9.470359\nLi Al F\n12 4 24\ndirect\n0.508320 0.648460 0.625334 Li\n0.008320 0.351540 0.374666 Li\n0.508320 0.851540 0.125334 Li\n0.008320 0.148460 0.874667 Li\n0.494720 0.544880 0.896688 Li\n0.994720 0.455120 0.103312 Li\n0.494720 0.955120 0.396688 Li\n0.994720 0.044880 0.603313 Li\n0.002545 0.453843 0.647242 Li\n0.502545 0.546157 0.352758 Li\n0.002545 0.046157 0.147242 Li\n0.502545 0.953843 0.852758 Li\n0.499885 0.260516 0.628490 Al\n-0.000116 0.739484 0.371510 Al\n0.499885 0.239484 0.128490 Al\n-0.000116 0.760516 0.871510 Al\n0.330713 0.090035 0.011430 F\n0.830713 0.909965 0.988570 F\n0.674711 0.117999 0.746493 F\n0.174711 0.882001 0.253507 F\n0.674711 0.382001 0.246493 F\n0.174711 0.617999 0.753507 F\n0.348334 0.097208 0.528296 F\n0.848335 0.902792 0.471704 F\n0.348334 0.402792 0.028296 F\n0.848335 0.597208 0.971704 F\n0.194996 0.268905 0.738572 F\n0.641491 0.434451 0.725749 F\n0.194996 0.231095 0.238571 F\n0.694996 0.768905 0.761429 F\n0.811456 0.255763 0.522889 F\n0.311456 0.744237 0.477111 F\n0.811456 0.244237 0.022889 F\n0.311456 0.755763 0.977111 F\n0.830713 0.590035 0.488570 F\n0.141491 0.565549 0.274251 F\n0.641491 0.065549 0.225749 F\n0.141491 0.934451 0.774251 F\n0.694996 0.731095 0.261429 F\n0.330713 0.409965 0.511430 F\n",
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"formula_full": "Li12 Al4 F24",
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{
"id": "jvasp-33312",
"created_at": "2022-09-04T14:38:35.381871Z",
"updated_at": "2022-09-04T14:38:35.381905Z",
"structure_string": "B6 H14 C2 O2\n1.0\n7.782414 -0.065746 1.959358\n-1.109224 5.305745 -1.221220\n-0.013989 -0.023699 5.583632\nB H C O\n6 14 2 2\ndirect\n0.638776 0.823674 0.735081 B\n0.769884 0.577350 0.610990 B\n0.762134 0.773141 0.409051 B\n0.355554 0.163989 0.259415 B\n0.224469 0.410331 0.383524 B\n0.232186 0.214509 0.585447 B\n0.326623 0.304206 0.734170 H\n0.130361 0.017306 0.612680 H\n0.127262 0.369071 0.603837 H\n0.313977 0.619734 0.409421 H\n0.116567 0.364926 0.253755 H\n0.452746 0.079395 0.338769 H\n0.444439 0.301704 0.113852 H\n0.863943 0.970355 0.381790 H\n0.867086 0.618622 0.390676 H\n0.680389 0.367936 0.585121 H\n0.877793 0.622783 0.740750 H\n0.541571 0.908240 0.655722 H\n0.549904 0.685946 0.880636 H\n0.667689 0.683415 0.260342 H\n0.748146 0.044657 0.885102 C\n0.246175 0.943022 0.109386 C\n0.162113 0.779465 0.998832 O\n0.832210 0.208223 0.995650 O\n",
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"formula_full": "B6 H14 C2 O2",
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{
"id": "jvasp-54754",
"created_at": "2022-09-04T14:38:33.691120Z",
"updated_at": "2022-09-04T14:38:33.691140Z",
"structure_string": "Te1 H6 O6\n1.0\n3.806852 4.437569 0.000000\n0.000000 4.437569 3.689214\n3.806852 0.000000 3.689214\nTe H O\n1 6 6\ndirect\n0.021162 0.978838 0.978837 Te\n0.144042 0.372613 0.855958 H\n0.225030 0.774970 0.434083 H\n0.544707 0.455294 0.228855 H\n0.771145 0.228856 0.455293 H\n0.627387 0.855959 0.372612 H\n0.565917 0.434084 0.774969 H\n0.272609 0.727391 0.727390 O\n0.228867 0.207937 0.771133 O\n0.269592 0.730408 0.244693 O\n0.740334 0.259667 0.259666 O\n0.792063 0.771134 0.207936 O\n0.755307 0.244694 0.730407 O\n",
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{
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"created_at": "2022-09-04T14:35:47.128856Z",
"updated_at": "2022-09-04T14:35:47.128884Z",
"structure_string": "Li6 Al2 B4 O12\n1.0\n4.905678 -0.002843 -0.022757\n0.041431 6.151065 -0.284205\n0.111201 2.386319 7.515209\nLi Al B O\n6 2 4 12\ndirect\n0.679817 0.394927 0.428058 Li\n0.320183 0.605075 0.571942 Li\n0.175345 0.469663 0.238363 Li\n0.824655 0.530339 0.761636 Li\n0.831676 0.236682 0.111364 Li\n0.168324 0.763320 0.888635 Li\n0.650594 0.051822 0.771599 Al\n0.349406 0.948180 0.228400 Al\n0.659687 0.677320 0.070811 B\n0.340313 0.322681 0.929188 B\n0.164900 0.172555 0.588469 B\n0.835100 0.827446 0.411531 B\n0.310106 0.013055 0.715755 O\n0.775646 0.793134 0.909170 O\n0.224354 0.206868 0.090829 O\n0.880288 0.163623 0.600861 O\n0.119712 0.836379 0.399138 O\n0.294036 0.335013 0.466156 O\n0.705965 0.664989 0.533844 O\n0.792270 0.509311 0.182722 O\n0.207730 0.490690 0.817277 O\n0.388482 0.740058 0.104009 O\n0.611518 0.259944 0.895991 O\n0.689894 -0.013054 0.284245 O\n",
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{
"id": "jvasp-47582",
"created_at": "2022-09-04T14:38:28.479361Z",
"updated_at": "2022-09-04T14:38:28.479371Z",
"structure_string": "Li4 Co6 Sb2 O16\n1.0\n2.874343 -4.978508 0.000000\n2.874343 4.978508 -0.000000\n0.000000 -0.000000 9.380051\nLi Co Sb O\n4 6 2 16\ndirect\n0.666667 0.333332 0.099788 Li\n0.000000 0.000000 0.005231 Li\n0.000000 0.000000 0.505230 Li\n0.333332 0.666667 0.599788 Li\n0.169610 0.339220 0.284412 Co\n0.169610 0.830389 0.284412 Co\n0.660779 0.830389 0.284412 Co\n0.830389 0.660779 0.784412 Co\n0.339221 0.169610 0.784412 Co\n0.830389 0.169610 0.784412 Co\n0.666667 0.333332 0.508061 Sb\n0.333332 0.666667 0.008061 Sb\n0.158688 0.841311 0.900699 O\n0.158688 0.317377 0.900699 O\n0.333332 0.666667 0.387269 O\n0.483824 0.967648 0.166183 O\n0.032351 0.516175 0.166183 O\n0.841310 0.158689 0.400699 O\n0.967648 0.483824 0.666183 O\n0.516175 0.483824 0.666183 O\n0.841310 0.682621 0.400699 O\n0.000000 0.000000 0.191844 O\n0.000000 0.000000 0.691844 O\n0.666667 0.333332 0.887269 O\n0.483824 0.516175 0.166183 O\n0.317378 0.158689 0.400699 O\n0.516175 0.032351 0.666183 O\n0.682622 0.841311 0.900699 O\n",
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{
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"created_at": "2022-09-04T14:37:13.801835Z",
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"structure_string": "Li3 Mn3 O8\n1.0\n5.785373 0.043928 0.031062\n2.930729 4.988316 0.031062\n2.930729 1.692058 4.692676\nLi Mn O\n3 3 8\ndirect\n0.004545 0.004545 0.004545 Li\n0.245455 0.245455 0.245455 Li\n0.624999 0.625001 0.625000 Li\n0.125000 0.625001 0.625000 Mn\n0.624999 0.125001 0.625000 Mn\n0.625000 0.625001 0.125000 Mn\n0.385580 0.385581 0.385580 O\n0.375482 0.375483 0.834742 O\n0.375482 0.834743 0.375482 O\n0.834741 0.375483 0.375482 O\n0.415257 0.874519 0.874518 O\n0.874517 0.874519 0.415258 O\n0.874517 0.415259 0.874518 O\n0.864419 0.864421 0.864420 O\n",
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{
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"created_at": "2022-09-04T14:38:05.630810Z",
"updated_at": "2022-09-04T14:38:05.630830Z",
"structure_string": "Li12 V2 O6 F6\n1.0\n5.158023 -0.031206 0.047164\n-1.837336 -6.225697 -0.010762\n-0.272015 0.049941 -7.750969\nLi V O F\n12 2 6 6\ndirect\n0.885588 0.082336 0.342179 Li\n0.760742 0.663339 0.219762 Li\n0.710488 0.172462 0.757913 Li\n0.076471 0.451825 0.142277 Li\n0.397047 0.802029 0.908887 Li\n0.444314 0.322071 0.410466 Li\n0.554537 0.677684 0.600360 Li\n0.612652 0.196898 0.099919 Li\n0.933210 0.546899 0.853283 Li\n0.280334 0.350679 0.763514 Li\n0.326470 0.833199 0.231801 Li\n0.093119 0.912451 0.655109 Li\n0.980039 0.994024 0.011068 V\n0.962489 0.493330 0.511666 V\n0.783218 0.367567 0.294836 O\n0.968863 0.277347 0.941591 O\n0.649768 0.415088 0.643335 O\n0.663721 0.918493 0.136252 O\n0.069377 0.726505 0.051638 O\n0.215437 0.649737 0.691938 O\n0.882352 0.788180 0.449428 F\n0.232445 0.115277 0.233349 F\n0.352885 0.081912 0.858148 F\n0.330499 0.574959 0.351988 F\n0.762350 0.881042 0.778599 F\n0.071559 0.204687 0.560705 F\n",
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{
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"structure_string": "Zn2 C2 O6\n1.0\n4.266754 -0.018168 3.761287\n1.687368 3.918969 3.761287\n-0.027732 -0.018168 5.687856\nZn C O\n2 2 6\ndirect\n0.500000 0.500000 0.500001 Zn\n0.000000 0.000000 0.000000 Zn\n0.750000 0.750000 0.750002 C\n0.250000 0.250000 0.250001 C\n0.750000 0.474815 0.025186 O\n0.025186 0.750000 0.474815 O\n0.525185 0.974815 0.250001 O\n0.250001 0.525185 0.974816 O\n0.974814 0.249999 0.525187 O\n0.474815 0.025185 0.750001 O\n",
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"formula_full": "Zn2 C2 O6",
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"formula_anonymous": "ABC3",
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},
{
"id": "jvasp-110215",
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"updated_at": "2022-09-04T14:38:27.310554Z",
"structure_string": "Mg3 Zn1 O4\n1.0\n2.972654 0.000599 9.497819\n1.452107 2.593850 9.497819\n0.001021 0.000599 9.952147\nMg Zn O\n3 1 4\ndirect\n0.249483 0.249484 0.249483 Mg\n0.499999 0.500001 0.500000 Mg\n0.750516 0.750518 0.750517 Mg\n0.000000 0.000000 0.000000 Zn\n0.125286 0.125286 0.125286 O\n0.376823 0.376823 0.376823 O\n0.623176 0.623178 0.623177 O\n0.874713 0.874715 0.874715 O\n",
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{
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"created_at": "2022-09-04T14:38:09.452812Z",
"updated_at": "2022-09-04T14:38:09.452839Z",
"structure_string": "Li2 V2 Co2 O8\n1.0\n-2.869840 1.603264 4.695604\n-2.869840 4.961480 -0.053629\n-2.869840 -1.603264 -4.695604\nLi V Co O\n2 2 2 8\ndirect\n0.750000 0.122519 0.627481 Li\n0.250000 0.877482 0.372518 Li\n0.500000 0.500000 0.000000 V\n-0.000000 0.500000 0.500000 V\n0.500000 -0.000000 0.000000 Co\n-0.000000 0.500000 -0.000000 Co\n0.526686 0.738674 0.788010 O\n0.973314 0.738674 0.234641 O\n0.976855 0.282607 0.240536 O\n0.523144 0.736320 0.240536 O\n0.476855 0.263680 0.759464 O\n0.023144 0.717393 0.759464 O\n0.026686 0.261326 0.765359 O\n0.473314 0.261326 0.211989 O\n",
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{
"id": "jvasp-106872",
"created_at": "2022-09-04T14:38:01.342082Z",
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"structure_string": "Mn4 O6\n1.0\n4.931075 -0.180877 -0.220360\n2.699089 3.553886 2.117273\n0.244049 0.060572 5.353566\nMn O\n4 6\ndirect\n0.653474 0.692988 0.960474 Mn\n0.346529 0.307008 0.039530 Mn\n0.153490 0.692959 0.460488 Mn\n0.846509 0.307045 0.539508 Mn\n0.560506 0.500052 0.749951 O\n0.749998 0.810529 0.249948 O\n0.060465 0.189512 0.250012 O\n0.939538 0.810486 0.749988 O\n0.250005 0.189473 0.750052 O\n0.439493 0.499948 0.250049 O\n",
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}
]
}