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{
"id": "jvasp-44608",
"created_at": "2022-09-04T14:38:29.278986Z",
"updated_at": "2022-09-04T14:38:29.279011Z",
"structure_string": "Li6 Cr2 Si2 B2 O14\n1.0\n0.000000 5.054238 0.047184\n6.243640 0.000000 0.000000\n0.000000 -0.782266 -8.237056\nLi Cr Si B O\n6 2 2 2 14\ndirect\n0.234594 0.750000 0.102463 Li\n0.740214 0.002810 0.246457 Li\n0.740214 0.497190 0.246457 Li\n0.259786 0.502810 0.753544 Li\n0.259786 0.997190 0.753544 Li\n0.765406 0.250000 0.897538 Li\n0.202429 0.250000 0.314326 Cr\n0.797571 0.750000 0.685675 Cr\n0.727209 0.250000 0.572587 Si\n0.272791 0.750000 0.427414 Si\n0.295584 0.250000 0.034770 B\n0.704416 0.750000 0.965231 B\n0.516573 0.750000 0.826456 O\n0.817737 0.051131 0.697160 O\n0.817737 0.448869 0.697160 O\n0.403438 0.250000 0.522474 O\n0.128651 0.750000 0.594056 O\n0.871349 0.250000 0.405945 O\n0.631705 0.750000 0.117142 O\n0.182263 0.551131 0.302841 O\n0.182263 0.948869 0.302841 O\n0.483426 0.250000 0.173545 O\n0.037481 0.250000 0.081352 O\n0.962519 0.750000 0.918649 O\n0.596561 0.750000 0.477527 O\n0.368295 0.250000 0.882859 O\n",
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{
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"structure_string": "Mg2 Mn3 O8\n1.0\n5.206096 2.753919 -0.077182\n-5.206096 2.753919 0.077182\n-1.643293 0.000000 4.553029\nMg Mn O\n2 3 8\ndirect\n0.267479 0.732521 0.336932 Mg\n0.732521 0.267479 0.663068 Mg\n0.000000 -0.000000 0.500000 Mn\n0.281115 0.281115 0.000000 Mn\n0.718886 0.718886 -0.000000 Mn\n0.099630 0.900370 0.913924 O\n0.122653 0.347144 0.597636 O\n0.652856 0.877348 0.597636 O\n0.380645 0.619355 0.065172 O\n0.619355 0.380645 0.934828 O\n0.347144 0.122652 0.402364 O\n0.877348 0.652856 0.402364 O\n0.900370 0.099630 0.086076 O\n",
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"volume": 129.85649780081988,
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"formula_anonymous": "A2B3C8",
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{
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"created_at": "2022-09-04T14:36:42.521733Z",
"updated_at": "2022-09-04T14:36:42.521742Z",
"structure_string": "Li1 Cr2 Co1 O6\n1.0\n-2.872549 0.007534 -0.006861\n-0.015418 -5.798051 0.046911\n1.425686 1.483873 5.989293\nLi Cr Co O\n1 2 1 6\ndirect\n0.335634 0.176040 0.671268 Li\n0.011724 0.989431 0.023447 Cr\n0.327481 0.669038 0.654987 Cr\n0.661142 0.338748 0.322280 Co\n0.503727 0.212428 0.007485 O\n0.171250 0.554522 0.342463 O\n0.164770 0.117204 0.329513 O\n0.842554 0.900981 0.685136 O\n0.820772 0.436640 0.641541 O\n0.491552 0.771927 0.983095 O\n",
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"volume": 99.89738673624359,
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"spacegroup": 8
},
{
"id": "jvasp-46956",
"created_at": "2022-09-04T14:38:07.287694Z",
"updated_at": "2022-09-04T14:38:07.287732Z",
"structure_string": "Li3 V3 Cr1 O8\n1.0\n-4.014529 -0.002060 0.002403\n2.004414 6.064385 0.025395\n-0.002894 -1.870128 -6.164327\nLi V Cr O\n3 3 1 8\ndirect\n0.057917 0.120826 0.359861 Li\n0.174407 0.353821 0.005194 Li\n0.936984 0.878979 0.640543 Li\n0.605953 0.216893 0.701261 V\n0.291019 0.587047 0.700750 V\n0.392680 0.790350 0.287186 V\n0.713550 0.432104 0.311014 Cr\n0.651245 0.307510 0.000728 O\n0.561200 0.127391 0.363945 O\n0.118056 0.241108 0.687807 O\n0.767530 0.540064 0.644556 O\n0.228398 0.461803 0.335006 O\n0.881715 0.768423 0.322419 O\n0.439770 0.884539 0.637150 O\n0.342659 0.690309 0.994918 O\n",
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{
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"updated_at": "2022-09-04T14:36:13.136235Z",
"structure_string": "Li2 Fe2 Si4 O12\n1.0\n5.106368 0.002878 1.361254\n1.534667 6.146494 0.727836\n0.032237 0.024351 6.376732\nLi Fe Si O\n2 2 4 12\ndirect\n0.750001 0.261343 0.738656 Li\n0.250001 0.738656 0.261344 Li\n0.750001 0.915339 0.084660 Fe\n0.250001 0.084660 0.915339 Fe\n0.758035 0.795881 0.607577 Si\n0.241967 0.204119 0.392422 Si\n0.258035 0.607577 0.795881 Si\n0.741967 0.392422 0.204119 Si\n0.051992 0.645435 0.636223 O\n0.551993 0.636223 0.645435 O\n0.143411 0.801140 0.975129 O\n0.177547 0.099264 0.637704 O\n0.856591 0.198859 0.024870 O\n0.948009 0.354564 0.363776 O\n0.356591 0.024871 0.198859 O\n0.822455 0.900735 0.362295 O\n0.677547 0.637704 0.099264 O\n0.322455 0.362295 0.900735 O\n0.448009 0.363776 0.354564 O\n0.643411 0.975129 0.801141 O\n",
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],
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"density_atomic": 0.10009793768922282,
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"formula_full": "Li2 Fe2 Si4 O12",
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},
{
"id": "jvasp-44597",
"created_at": "2022-09-04T14:38:33.632146Z",
"updated_at": "2022-09-04T14:38:33.632182Z",
"structure_string": "Li4 Mn2 Sn2 O8\n1.0\n6.101300 -0.222778 -0.102389\n0.149005 6.103547 -0.102389\n-3.195856 -3.006908 4.393192\nLi Mn Sn O\n4 2 2 8\ndirect\n-0.000000 0.500000 0.500000 Li\n0.500000 0.500000 0.500000 Li\n0.500000 -0.000000 -0.000000 Li\n0.500000 0.500000 -0.000000 Li\n0.000000 0.500000 -0.000000 Mn\n0.500000 -0.000001 0.500000 Mn\n-0.000000 -0.000000 0.500000 Sn\n0.000000 0.000000 0.000000 Sn\n0.242860 0.757081 0.020640 O\n0.264398 0.238254 0.501326 O\n0.242919 0.757141 0.479359 O\n0.761746 0.735602 -0.001327 O\n0.238255 0.264398 0.001326 O\n0.757081 0.242859 0.520640 O\n0.735602 0.761745 0.498673 O\n0.757140 0.242918 0.979359 O\n",
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"formula_full": "Li4 Mn2 Sn2 O8",
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{
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"created_at": "2022-09-04T14:38:44.823157Z",
"updated_at": "2022-09-04T14:38:44.823194Z",
"structure_string": "Li4 Fe1 Ni3 P4 O16\n1.0\n5.913129 -0.000000 0.000000\n0.000000 4.693996 0.007303\n-0.000000 0.010344 10.079190\nLi Fe Ni P O\n4 1 3 4 16\ndirect\n0.250924 -0.001089 0.996546 Li\n0.749076 -0.001089 0.996546 Li\n0.746857 0.500956 0.505390 Li\n0.253143 0.500956 0.505390 Li\n-0.000000 0.977999 0.278322 Fe\n0.500000 0.016889 0.725473 Ni\n0.500000 0.478176 0.222608 Ni\n-0.000000 0.519560 0.775502 Ni\n0.500000 0.923581 0.406681 P\n0.500000 0.579235 0.905827 P\n-0.000000 0.416034 0.091141 P\n-0.000000 0.082375 0.595933 P\n0.708646 0.786030 0.333808 O\n-0.000000 0.755627 0.596667 O\n-0.000000 0.742263 0.095488 O\n0.291737 0.721365 0.834266 O\n0.708263 0.721365 0.834266 O\n0.500000 0.702143 0.049010 O\n-0.000000 0.292086 0.948637 O\n0.209234 0.222474 0.666032 O\n0.206764 0.274687 0.164347 O\n0.500000 0.252500 0.903104 O\n0.500000 0.249899 0.403950 O\n0.790766 0.222474 0.666032 O\n0.291354 0.786030 0.333808 O\n-0.000000 0.207296 0.452150 O\n0.793236 0.274687 0.164347 O\n0.500000 0.795488 0.548728 O\n",
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{
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"updated_at": "2022-09-04T14:38:40.164008Z",
"structure_string": "Li5 V1 F8\n1.0\n5.055414 0.014609 -2.996213\n-1.558474 4.711715 -3.147319\n0.004946 -0.014609 5.876604\nLi V F\n5 1 8\ndirect\n0.000000 0.500000 -0.000000 Li\n0.500000 0.000000 0.000000 Li\n0.500000 0.500000 0.500000 Li\n0.500000 -0.000000 0.500000 Li\n0.000000 -0.000000 0.500000 Li\n0.000000 0.000000 0.000000 V\n0.234654 0.234654 -0.000000 F\n0.239626 0.767196 0.006824 F\n0.760374 0.232803 0.993176 F\n0.765345 0.765345 -0.000000 F\n0.760374 0.767196 0.527571 F\n0.729679 0.229679 0.500000 F\n0.270321 0.770320 0.499999 F\n0.239626 0.232803 0.472429 F\n",
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{
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"created_at": "2022-09-04T14:38:48.671558Z",
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"structure_string": "Zn8 B4 O16\n1.0\n3.183771 -0.000000 0.000000\n0.000000 9.336396 0.000000\n-0.000000 0.000000 9.412232\nZn B O\n8 4 16\ndirect\n0.250000 0.069172 0.120304 Zn\n0.750000 0.930829 0.879696 Zn\n0.750000 0.569172 0.379696 Zn\n0.250000 0.430828 0.620304 Zn\n0.250000 0.693619 0.106259 Zn\n0.750000 0.306382 0.893741 Zn\n0.750000 0.193618 0.393741 Zn\n0.250000 0.806382 0.606259 Zn\n0.250000 0.121714 0.661003 B\n0.750000 0.878287 0.338997 B\n0.750000 0.621714 0.838997 B\n0.250000 0.378286 0.161003 B\n0.750000 0.383458 0.486807 O\n0.250000 0.616542 0.513193 O\n0.250000 0.126819 0.515329 O\n0.750000 0.873181 0.484670 O\n0.750000 0.626819 0.984670 O\n0.250000 0.373181 0.015330 O\n0.250000 0.990241 0.729148 O\n0.750000 0.748060 0.760734 O\n0.750000 0.490240 0.770851 O\n0.250000 0.509760 0.229148 O\n0.250000 0.248060 0.739266 O\n0.750000 0.751940 0.260734 O\n0.750000 0.116542 0.986807 O\n0.250000 0.251940 0.239266 O\n0.750000 0.009760 0.270852 O\n0.250000 0.883458 0.013193 O\n",
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{
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"structure_string": "Li8 Ca2 B4 O12\n1.0\n3.454391 0.000000 0.000000\n0.000000 8.114311 0.000000\n0.000000 -0.000000 9.268582\nLi Ca B O\n8 2 4 12\ndirect\n0.500000 0.831130 0.952293 Li\n0.000000 0.331130 0.547706 Li\n0.500000 0.485970 0.697134 Li\n0.000000 0.014030 0.197134 Li\n0.500000 0.514030 0.302866 Li\n0.000000 0.668870 0.452293 Li\n0.500000 0.168870 0.047706 Li\n0.000000 0.985970 0.802866 Li\n0.000000 0.500000 0.000000 Ca\n0.500000 0.000000 0.500000 Ca\n0.000000 0.271721 0.289791 B\n0.500000 0.228279 0.789791 B\n0.500000 0.771721 0.210209 B\n0.000000 0.728279 0.710209 B\n0.000000 0.427349 0.350719 O\n0.000000 0.572650 0.649281 O\n0.000000 0.247252 0.141065 O\n0.500000 0.366007 0.879719 O\n0.500000 0.747252 0.358935 O\n0.500000 0.252748 0.641065 O\n0.000000 0.866007 0.620281 O\n0.000000 0.133993 0.379719 O\n0.500000 0.927349 0.149281 O\n0.000000 0.752748 0.858935 O\n0.500000 0.072651 0.850719 O\n0.500000 0.633993 0.120281 O\n",
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],
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"formula_full": "Li8 Ca2 B4 O12",
"formula_reduced": "Li4Ca(BO3)2",
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{
"id": "jvasp-50201",
"created_at": "2022-09-04T14:37:08.114256Z",
"updated_at": "2022-09-04T14:37:08.114286Z",
"structure_string": "Lu4 Al4 O12\n1.0\n5.097520 0.000000 0.000000\n0.000000 5.352665 0.000000\n0.000000 0.000000 7.324713\nLu Al O\n4 4 12\ndirect\n0.016896 0.934747 0.750000 Lu\n0.483104 0.434746 0.750000 Lu\n0.516896 0.565255 0.250000 Lu\n0.983104 0.065254 0.250000 Lu\n0.000000 0.500000 0.000000 Al\n0.000000 0.500000 0.500000 Al\n0.500000 0.000000 0.000000 Al\n0.500000 0.000000 0.500000 Al\n0.803080 0.800881 0.052519 O\n0.696920 0.300881 0.447481 O\n0.696920 0.300881 0.052519 O\n0.601649 0.032007 0.750000 O\n0.398351 0.967994 0.250000 O\n0.196920 0.199120 0.552518 O\n0.303080 0.699120 0.947481 O\n0.196920 0.199120 0.947481 O\n0.803080 0.800881 0.447481 O\n0.101649 0.467994 0.250000 O\n0.303080 0.699120 0.552518 O\n0.898351 0.532007 0.750000 O\n",
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"density": 8.306861095442404,
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"volume": 199.85711533916233,
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{
"id": "jvasp-30289",
"created_at": "2022-09-04T14:37:11.451234Z",
"updated_at": "2022-09-04T14:37:11.451258Z",
"structure_string": "Fe1 Co3 O8\n1.0\n4.634025 1.368220 -2.473970\n1.599612 -5.417724 -0.000000\n1.599612 -2.472715 -4.820519\nFe Co O\n1 3 8\ndirect\n0.000000 0.000000 0.000000 Fe\n-0.000000 -0.000001 0.500000 Co\n-0.000000 0.500000 0.000000 Co\n-0.000000 0.499999 0.500000 Co\n0.213016 0.236600 0.023584 O\n0.213016 0.236599 0.526799 O\n0.213016 0.739814 0.023584 O\n0.213045 0.737681 0.524637 O\n0.786953 0.262317 0.475364 O\n0.786983 0.260184 0.976417 O\n0.786983 0.763398 0.473202 O\n0.786983 0.763398 0.976417 O\n",
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}
]
}