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{
"id": "jvasp-111736",
"created_at": "2022-09-04T14:38:41.886252Z",
"updated_at": "2022-09-04T14:38:41.886283Z",
"structure_string": "Na1 Yb1 Pd6 O8\n1.0\n5.740065 0.000000 -0.000000\n0.000000 5.740065 0.000000\n-0.000000 0.000000 5.740065\nYb Na Pd O\n1 1 6 8\ndirect\n0.000000 0.000000 0.000000 Yb\n0.500000 0.500000 0.500000 Na\n0.250771 0.000000 0.500000 Pd\n0.749228 0.000000 0.500000 Pd\n0.500000 0.250771 0.000000 Pd\n0.500000 0.749228 0.000000 Pd\n0.000000 0.500000 0.250771 Pd\n0.000000 0.500000 0.749228 Pd\n0.243914 0.243914 0.243914 O\n0.756085 0.756085 0.756085 O\n0.756085 0.756085 0.243914 O\n0.756085 0.243914 0.756085 O\n0.243914 0.243914 0.756085 O\n0.243914 0.756085 0.243914 O\n0.243914 0.756085 0.756085 O\n0.756085 0.243914 0.243914 O\n",
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{
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"structure_string": "Zn1 H6 C5 O4\n1.0\n4.559007 -0.043636 -0.292331\n-2.009738 4.217329 -0.790581\n0.245524 0.029155 7.481586\nZn H C O\n1 6 5 4\ndirect\n0.772871 0.679069 0.746637 Zn\n0.710134 0.217887 0.412106 H\n0.462270 0.801992 0.330409 H\n0.140277 0.223644 0.274130 H\n0.398051 0.444258 0.036702 H\n0.130092 0.889152 0.120848 H\n0.721499 0.542509 0.204524 H\n0.274667 0.034292 0.536711 C\n0.458617 0.034204 0.372616 C\n0.293535 0.110953 0.215365 C\n0.527547 0.339225 0.109501 C\n0.692125 0.212790 0.965775 C\n0.347630 0.288370 0.653470 O\n0.032671 0.769695 0.545559 O\n0.622027 0.915921 0.932497 O\n0.894049 0.406803 0.881859 O\n",
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{
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"updated_at": "2022-09-04T14:38:41.892376Z",
"structure_string": "Li3 Mn2 Co1 O6\n1.0\n4.528735 -0.007413 2.184483\n3.647866 2.683759 2.184483\n0.057758 0.018905 8.792746\nLi Mn Co O\n3 2 1 6\ndirect\n0.331849 0.331852 0.848544 Li\n-0.000001 0.000001 0.500000 Li\n0.668149 0.668151 0.151456 Li\n0.672535 0.672539 0.680818 Mn\n0.327462 0.327464 0.319182 Mn\n0.000000 0.000000 0.000000 Co\n0.347437 0.347438 0.066851 O\n0.016671 0.016673 0.765957 O\n0.674009 0.674012 0.403980 O\n0.325989 0.325991 0.596020 O\n0.983326 0.983330 0.234043 O\n0.652561 0.652565 0.933148 O\n",
"nsites": 12,
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{
"id": "jvasp-117268",
"created_at": "2022-09-04T14:38:47.125318Z",
"updated_at": "2022-09-04T14:38:47.125345Z",
"structure_string": "Ca6 Sc2 Co2 O12\n1.0\n6.348228 0.007231 -0.266467\n-0.278189 6.342134 -0.266467\n0.006913 0.007231 6.353814\nCa Sc Co O\n6 2 2 12\ndirect\n0.380221 0.749999 0.119778 Ca\n0.750000 0.119778 0.380221 Ca\n0.119778 0.380221 0.749999 Ca\n0.880221 0.619778 0.249999 Ca\n0.250000 0.880221 0.619778 Ca\n0.619778 0.250000 0.880220 Ca\n0.250000 0.250000 0.250000 Sc\n0.750000 0.749999 0.749999 Sc\n0.500000 0.500000 0.499999 Co\n0.000000 0.000000 0.000000 Co\n0.791525 0.456830 0.587850 O\n0.543169 0.412148 0.208475 O\n0.412149 0.208475 0.543169 O\n0.456830 0.587851 0.791524 O\n0.043169 0.708475 0.912148 O\n0.087851 0.956830 0.291524 O\n0.956831 0.291524 0.087851 O\n0.708475 0.912148 0.043169 O\n0.912149 0.043169 0.708474 O\n0.291524 0.087851 0.956830 O\n0.208475 0.543169 0.412148 O\n0.587851 0.791524 0.456830 O\n",
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"elements": [
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{
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"updated_at": "2022-09-04T14:38:35.099395Z",
"structure_string": "Li2 V2 P4 O14\n1.0\n6.323501 0.036644 -0.004064\n0.925084 6.325099 0.037914\n2.655700 0.243835 6.217075\nLi V P O\n2 2 4 14\ndirect\n0.706312 0.005373 0.828655 Li\n0.293686 0.994625 0.171346 Li\n0.908479 0.356141 0.214705 V\n0.091520 0.643858 0.785296 V\n0.216053 0.129170 0.764798 P\n0.347878 0.395668 0.348901 P\n0.652121 0.604331 0.651100 P\n0.783946 0.870829 0.235202 P\n0.639144 0.788142 0.473693 O\n0.779314 0.687149 0.772512 O\n0.612445 0.958776 0.137363 O\n0.400460 0.587007 0.794735 O\n0.221686 0.597465 0.468777 O\n0.778313 0.402534 0.531223 O\n0.360855 0.211857 0.526308 O\n0.053488 0.328983 0.881785 O\n0.220685 0.312850 0.227488 O\n0.064988 0.969599 0.748454 O\n0.935011 0.030400 0.251547 O\n0.599539 0.412992 0.205265 O\n0.387554 0.041223 0.862638 O\n0.946511 0.671015 0.118216 O\n",
"nsites": 22,
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{
"id": "jvasp-113128",
"created_at": "2022-09-04T14:38:46.517062Z",
"updated_at": "2022-09-04T14:38:46.517090Z",
"structure_string": "Nb1 Cr3 Ag2 S8\n1.0\n6.952682 0.000000 0.000000\n0.000000 5.952995 0.359247\n0.000000 0.163548 6.445167\nNb Cr Ag S\n1 3 2 8\ndirect\n0.500000 0.000000 0.500000 Nb\n0.250988 0.500001 0.500000 Cr\n0.749011 0.500001 0.500000 Cr\n-0.000000 0.000000 0.500000 Cr\n0.000000 0.000000 0.000000 Ag\n0.500000 0.000000 -0.000000 Ag\n-0.000000 0.317997 0.700921 S\n0.500000 0.329238 0.718388 S\n0.242763 0.807106 0.719235 S\n0.757237 0.807106 0.719235 S\n0.242763 0.192895 0.280766 S\n0.757237 0.192895 0.280766 S\n0.500000 0.670763 0.281613 S\n-0.000000 0.682004 0.299080 S\n",
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"formula_full": "Nb1 Cr3 Ag2 S8",
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},
{
"id": "jvasp-111917",
"created_at": "2022-09-04T14:38:42.695738Z",
"updated_at": "2022-09-04T14:38:42.695774Z",
"structure_string": "Li4 Mn6 Cr2 O16\n1.0\n5.696187 0.000000 0.000000\n-2.848094 4.933042 -0.000000\n-0.000000 -0.000000 9.382724\nLi Mn Cr O\n4 6 2 16\ndirect\n0.333334 0.666667 0.897275 Li\n0.000000 0.000000 0.996610 Li\n0.000000 0.000000 0.496610 Li\n0.666668 0.333333 0.397275 Li\n0.830737 0.661473 0.714190 Mn\n0.338527 0.169263 0.714190 Mn\n0.830737 0.169263 0.714190 Mn\n0.169264 0.338527 0.214190 Mn\n0.169264 0.830736 0.214190 Mn\n0.661474 0.830736 0.214190 Mn\n0.333334 0.666667 0.486216 Cr\n0.666668 0.333333 0.986216 Cr\n0.324999 0.162499 0.099689 O\n0.837502 0.675001 0.099689 O\n0.666668 0.333333 0.606688 O\n0.517887 0.035772 0.837891 O\n0.517887 0.482114 0.837891 O\n0.675002 0.837501 0.599689 O\n0.482114 0.517886 0.337891 O\n0.035772 0.517886 0.337891 O\n0.162499 0.324999 0.599689 O\n0.000000 0.000000 0.811492 O\n0.000000 0.000000 0.311492 O\n0.333334 0.666667 0.106688 O\n0.964229 0.482114 0.837891 O\n0.162500 0.837501 0.599689 O\n0.482114 0.964228 0.337891 O\n0.837502 0.162499 0.099689 O\n",
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{
"id": "jvasp-112024",
"created_at": "2022-09-04T14:38:41.907832Z",
"updated_at": "2022-09-04T14:38:41.907857Z",
"structure_string": "Sn1 H20 C11 O6\n1.0\n4.709916 0.000782 -0.319345\n-0.311508 6.722392 -1.711199\n0.092480 -0.116277 10.391617\nSn H C O\n1 20 11 6\ndirect\n0.300060 0.597146 0.900496 Sn\n0.963099 0.815361 0.560646 H\n0.953231 0.584226 0.713374 H\n0.940222 0.873407 0.404645 H\n0.528352 0.100562 0.492126 H\n0.870419 0.180832 0.570212 H\n0.780590 0.038034 0.756139 H\n0.433353 0.945972 0.687186 H\n0.768293 0.104787 0.272400 H\n0.081979 0.194063 0.372903 H\n0.229174 0.558440 0.125485 H\n0.789706 0.468352 0.506555 H\n0.808540 0.199320 0.024415 H\n0.102141 0.078407 0.945991 H\n0.308281 0.236200 0.159892 H\n0.240431 0.989309 0.169560 H\n0.760684 0.437893 0.206507 H\n0.064772 0.518613 0.317956 H\n0.470581 0.719520 0.346022 H\n0.415984 0.715401 0.512152 H\n0.491497 0.379908 0.395288 H\n0.577553 0.697686 0.438341 C\n0.871642 0.419547 0.298617 C\n0.959881 0.082794 0.026913 C\n0.137497 0.126231 0.161337 C\n0.678180 0.484504 0.413810 C\n0.702241 0.063241 0.555926 C\n0.597044 0.063665 0.693426 C\n0.815428 0.859676 0.488349 C\n0.480961 0.258154 0.763506 C\n0.802894 0.883058 0.992382 C\n0.959882 0.203843 0.281206 C\n0.636358 0.422832 0.792418 O\n0.390624 0.523134 0.070571 O\n0.125562 0.670738 0.741222 O\n0.927430 0.726762 0.003528 O\n0.539161 0.873840 0.950278 O\n0.225952 0.268130 0.799287 O\n",
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{
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"created_at": "2022-09-04T14:38:48.509128Z",
"updated_at": "2022-09-04T14:38:48.509148Z",
"structure_string": "Lu1 Sc1 B2 O6\n1.0\n4.413288 -0.012555 3.951449\n1.758246 4.047943 3.951449\n-0.019201 -0.012555 5.923740\nLu Sc B O\n1 1 2 6\ndirect\n0.500001 0.499998 0.500000 Lu\n0.000000 0.000000 0.000000 Sc\n0.253066 0.253065 0.253065 B\n0.746937 0.746932 0.746935 B\n0.543142 0.972145 0.241070 O\n0.241071 0.543138 0.972147 O\n0.972149 0.241068 0.543141 O\n0.758931 0.456858 0.027853 O\n0.027854 0.758929 0.456860 O\n0.456861 0.027851 0.758930 O\n",
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{
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"created_at": "2022-09-04T14:38:47.119118Z",
"updated_at": "2022-09-04T14:38:47.119146Z",
"structure_string": "Li2 Fe2 Mo4 O16\n1.0\n6.227524 -0.087205 -2.227214\n-2.067194 6.864443 -0.094783\n-0.035693 0.015516 6.943695\nLi Fe Mo O\n2 2 4 16\ndirect\n0.775171 0.447011 0.274694 Li\n0.224830 0.552990 0.725307 Li\n0.407934 0.096261 0.326018 Fe\n0.592066 0.903740 0.673983 Fe\n0.820559 0.964005 0.227521 Mo\n0.334814 0.573778 0.285409 Mo\n0.179442 0.035996 0.772479 Mo\n0.665187 0.426223 0.714592 Mo\n0.294172 0.282287 0.740503 O\n0.123314 0.049464 0.362606 O\n0.097413 0.482604 0.348588 O\n0.759777 0.962360 0.958955 O\n0.470928 0.374007 0.342190 O\n0.239759 0.571953 0.023075 O\n0.902588 0.517397 0.651413 O\n0.876687 0.950536 0.637395 O\n0.684143 0.136151 0.279354 O\n0.419827 0.845855 0.387381 O\n0.760242 0.428048 0.976925 O\n0.705828 0.717714 0.259498 O\n0.240223 0.037641 0.041046 O\n0.580174 0.154146 0.612619 O\n0.529073 0.625993 0.657810 O\n0.315858 0.863850 0.720647 O\n",
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{
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"created_at": "2022-09-04T14:38:46.536854Z",
"updated_at": "2022-09-04T14:38:46.536887Z",
"structure_string": "Li2 V1 Cr1 O4\n1.0\n2.894360 0.000239 -0.000098\n1.446874 4.873270 0.782653\n0.000157 0.011310 4.936361\nLi V Cr O\n2 1 1 4\ndirect\n0.500608 0.998774 0.504237 Li\n0.999393 0.001226 0.995761 Li\n0.749999 0.500000 0.249999 V\n0.250000 0.500000 0.750000 Cr\n0.132408 0.735177 0.375850 O\n0.367591 0.264823 0.124150 O\n0.633584 0.732816 0.871577 O\n0.866416 0.267184 0.628422 O\n",
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{
"id": "jvasp-116539",
"created_at": "2022-09-04T14:38:42.711407Z",
"updated_at": "2022-09-04T14:38:42.711424Z",
"structure_string": "Na2 Nb2 Se4 O14\n1.0\n6.673790 -0.015425 0.000000\n-2.333871 6.252420 0.000000\n-0.000000 -0.000000 7.423720\nNa Nb Se O\n2 2 4 14\ndirect\n0.974290 0.974289 0.365642 Na\n0.025710 0.025710 0.865642 Na\n0.512001 0.512001 0.896132 Nb\n0.487999 0.487998 0.396132 Nb\n0.567597 0.985615 0.625740 Se\n0.985615 0.567596 0.625740 Se\n0.432403 0.014385 0.125740 Se\n0.014385 0.432403 0.125740 Se\n0.882495 0.166720 0.122625 O\n0.166720 0.882495 0.122625 O\n0.117505 0.833280 0.622625 O\n0.833280 0.117504 0.622625 O\n0.194917 0.452396 0.942282 O\n0.452396 0.194917 0.942282 O\n0.449973 0.189907 0.313011 O\n0.547604 0.805082 0.442282 O\n0.189907 0.449973 0.313011 O\n0.410288 0.410287 0.633847 O\n0.810093 0.550026 0.813011 O\n0.550027 0.810092 0.813011 O\n0.805083 0.547604 0.442282 O\n0.589712 0.589712 0.133847 O\n",
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]
}