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{
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{
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{
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"structure_string": "Na2 Ag1 Ru1 F6\n1.0\n5.278862 -0.000000 3.047752\n1.759621 4.976959 3.047752\n-0.000000 -0.000000 6.095505\nNa Ag Ru F\n2 1 1 6\ndirect\n0.750000 0.750000 0.749999 Na\n0.250000 0.250000 0.250000 Na\n0.500000 0.500000 0.499999 Ag\n0.000000 0.000000 0.000000 Ru\n0.767283 0.232716 0.232716 F\n0.232716 0.232716 0.767283 F\n0.232716 0.767284 0.767283 F\n0.232716 0.767284 0.232716 F\n0.767283 0.232716 0.767283 F\n0.767283 0.767284 0.232716 F\n",
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{
"id": "jvasp-103805",
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"updated_at": "2022-09-04T14:36:41.258001Z",
"structure_string": "H10 C12 S4 N2\n1.0\n5.205299 0.038452 -0.466141\n-2.632139 6.402841 -2.490116\n-0.040112 0.035340 9.070974\nH C S N\n10 12 4 2\ndirect\n0.891709 0.863493 0.913295 H\n0.391708 0.363493 0.413295 H\n0.955327 0.506465 0.297093 H\n0.455328 0.006466 0.797093 H\n0.775503 0.663834 0.108301 H\n0.275504 0.163835 0.608301 H\n0.563807 0.655044 0.820975 H\n0.063806 0.155043 0.320975 H\n0.378240 0.185979 0.087226 H\n0.878241 0.685979 0.587226 H\n0.418939 0.064168 0.293863 C\n0.918939 0.564168 0.793862 C\n0.277192 0.219911 0.306166 C\n0.777192 0.719911 0.806166 C\n0.639548 0.860320 0.605054 C\n0.139547 0.360320 0.105055 C\n0.391958 0.062900 0.574770 C\n0.961966 0.508052 0.923900 C\n0.891957 0.562899 0.074770 C\n0.486424 0.979942 0.675833 C\n0.986423 0.479941 0.175833 C\n0.461966 0.008052 0.423901 C\n0.029830 0.465491 0.626358 S\n0.529829 0.965490 0.126358 S\n0.152874 0.347368 0.910178 S\n0.652874 0.847368 0.410178 S\n0.273895 0.262069 0.161041 N\n0.773896 0.762069 0.661041 N\n",
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{
"id": "jvasp-101936",
"created_at": "2022-09-04T14:36:56.594242Z",
"updated_at": "2022-09-04T14:36:56.594262Z",
"structure_string": "Zr1 H6 C5 O4\n1.0\n3.500199 -0.042515 0.348140\n1.555354 3.767795 0.562593\n0.132424 0.068022 9.015051\nZr H C O\n1 6 5 4\ndirect\n0.107992 0.972086 0.328082 Zr\n0.591816 0.107570 0.908868 H\n0.936832 0.308579 0.914026 H\n0.913734 0.589791 0.602979 H\n0.862384 0.183035 0.660787 H\n0.104204 0.661586 0.770524 H\n0.435506 0.882758 0.776735 H\n0.495632 0.494479 0.483536 C\n0.686128 0.466159 0.631254 C\n0.432838 0.466350 0.067254 C\n0.429094 0.619408 0.772710 C\n0.604540 0.368911 0.912582 C\n0.766942 0.575141 0.348870 O\n0.507918 0.155498 0.463330 O\n0.233905 0.779645 0.093177 O\n0.512711 0.208908 0.174722 O\n",
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{
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"created_at": "2022-09-04T14:36:56.593056Z",
"updated_at": "2022-09-04T14:36:56.593077Z",
"structure_string": "K4 I4 O8 F8\n1.0\n5.705548 0.000000 0.000000\n0.000000 8.639188 0.000000\n0.000000 0.000000 8.369901\nK I O F\n4 4 8 8\ndirect\n0.470355 0.265023 0.191517 K\n0.470355 0.765024 0.308483 K\n0.529645 0.265023 0.691517 K\n0.529645 0.765024 0.808483 K\n0.008687 0.020794 0.014162 I\n0.991314 0.520794 0.985838 I\n0.008687 0.520794 0.485838 I\n0.991314 0.020794 0.514162 I\n-0.109142 0.214635 0.024632 O\n0.850733 0.507698 0.792153 O\n0.850733 0.007698 0.707847 O\n-0.109142 0.714636 0.475368 O\n0.109142 0.214635 0.524632 O\n0.149268 0.507698 0.292153 O\n0.149268 0.007698 0.207847 O\n0.109142 0.714636 0.975368 O\n0.676355 0.594291 0.082211 F\n0.693797 0.934159 0.093052 F\n0.693797 0.434159 0.406948 F\n0.676355 0.094291 0.417790 F\n0.323645 0.594291 0.582210 F\n0.306203 0.934159 0.593052 F\n0.306203 0.434159 0.906948 F\n0.323645 0.094291 0.917790 F\n",
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{
"id": "jvasp-103728",
"created_at": "2022-09-04T14:36:43.346323Z",
"updated_at": "2022-09-04T14:36:43.346344Z",
"structure_string": "Ba1 Bi1 Cl1 O2\n1.0\n3.852805 -0.060044 -6.120099\n-0.371508 3.835322 -6.120099\n0.055368 0.060044 7.231642\nBa Bi Cl O\n1 1 1 2\ndirect\n0.864763 0.864763 0.000001 Ba\n0.166736 0.166736 0.000000 Bi\n0.488068 0.488068 0.000000 Cl\n0.740217 0.240216 0.500001 O\n0.240216 0.740216 0.499999 O\n",
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},
{
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"created_at": "2022-09-04T14:36:41.263510Z",
"updated_at": "2022-09-04T14:36:41.263532Z",
"structure_string": "Zn1 H4 C4 O4\n1.0\n3.452523 0.066254 0.491214\n1.379713 4.251248 0.586566\n0.226760 0.041525 7.595813\nZn H C O\n1 4 4 4\ndirect\n0.328251 0.829714 0.724747 Zn\n0.226370 0.124966 0.302973 H\n0.822151 0.990835 0.298837 H\n0.834698 0.668435 0.150655 H\n0.430433 0.534339 0.146549 H\n0.703785 0.324272 0.486884 C\n0.892176 0.208516 0.304068 C\n0.764632 0.450766 0.145437 C\n0.952945 0.335005 0.962621 C\n0.742440 0.118043 0.624097 O\n0.517696 0.618587 0.495915 O\n0.914234 0.541201 0.825400 O\n0.139033 0.040678 0.953604 O\n",
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{
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"created_at": "2022-09-04T14:37:02.534880Z",
"updated_at": "2022-09-04T14:37:02.534911Z",
"structure_string": "Ba4 Mn4 Bi4 O2\n1.0\n2.410161 -4.174522 0.000000\n2.410161 4.174522 -0.000000\n-0.000000 0.000000 20.151322\nBa Mn Bi O\n4 4 4 2\ndirect\n0.000000 0.000000 0.250000 Ba\n0.000000 0.000000 0.750000 Ba\n0.000000 0.000000 0.500000 Ba\n0.000000 0.000000 0.000000 Ba\n0.666667 0.333333 0.848644 Mn\n0.333333 0.666667 0.151356 Mn\n0.666667 0.333333 0.651356 Mn\n0.333333 0.666667 0.348644 Mn\n0.666667 0.333333 0.113102 Bi\n0.666667 0.333333 0.386898 Bi\n0.333333 0.666667 0.613102 Bi\n0.333333 0.666667 0.886898 Bi\n0.666667 0.333333 0.750000 O\n0.333333 0.666667 0.250000 O\n",
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{
"id": "jvasp-103896",
"created_at": "2022-09-04T14:36:56.285577Z",
"updated_at": "2022-09-04T14:36:56.285597Z",
"structure_string": "Ca2 H16 C12 O8\n1.0\n4.288703 0.102658 -0.201105\n-0.085112 7.321279 -0.750481\n0.029140 0.082479 10.185207\nCa H C O\n2 16 12 8\ndirect\n0.035139 0.516880 0.217920 Ca\n0.035139 0.016880 0.217919 Ca\n0.206638 0.391349 0.660443 H\n0.206637 0.891350 0.660443 H\n0.239805 0.159323 0.605655 H\n0.239805 0.659323 0.605655 H\n0.761073 0.214430 0.512312 H\n0.761073 0.714430 0.512312 H\n0.736279 0.945195 0.568386 H\n0.736279 0.445195 0.568386 H\n0.698801 0.863828 0.806179 H\n0.709717 0.128048 0.757326 H\n0.709716 0.628048 0.757325 H\n0.162527 0.335011 0.891672 H\n0.162527 0.835011 0.891672 H\n0.172420 0.101115 0.845883 H\n0.172419 0.601115 0.845883 H\n0.698802 0.363828 0.806179 H\n0.377622 0.279820 0.641920 C\n0.323136 0.217981 0.878493 C\n0.323135 0.717981 0.878493 C\n0.552010 0.246486 0.772157 C\n0.552010 0.746485 0.772158 C\n0.377622 0.779820 0.641920 C\n0.431482 0.861112 0.404481 C\n0.593366 0.826126 0.534949 C\n0.448976 0.180760 0.015041 C\n0.448974 0.680761 0.015042 C\n0.431482 0.361111 0.404481 C\n0.593365 0.326125 0.534950 C\n0.560211 0.963973 0.328153 O\n0.163523 0.791206 0.373930 O\n0.163523 0.291206 0.373930 O\n0.690933 0.583602 0.031515 O\n0.690934 0.083602 0.031515 O\n0.279758 0.743656 0.111205 O\n0.279759 0.243657 0.111206 O\n0.560210 0.463973 0.328153 O\n",
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{
"id": "jvasp-48619",
"created_at": "2022-09-04T14:37:02.178123Z",
"updated_at": "2022-09-04T14:37:02.178141Z",
"structure_string": "Li3 Mn3 O1 F7\n1.0\n-0.121244 4.300225 4.300225\n4.300225 -0.121244 4.300225\n4.300225 4.300225 -0.121244\nLi Mn O F\n3 3 1 7\ndirect\n0.999230 0.999230 0.999230 Li\n0.257942 0.257942 0.257942 Li\n0.622501 0.622501 0.622501 Li\n0.613909 0.133007 0.613909 Mn\n0.613909 0.613909 0.133007 Mn\n0.133007 0.613909 0.613909 Mn\n0.386402 0.386402 0.386402 O\n0.865260 0.385726 0.385726 F\n0.385726 0.865260 0.385726 F\n0.385726 0.385726 0.865260 F\n0.866025 0.866025 0.388065 F\n0.866025 0.388065 0.866025 F\n0.866263 0.866263 0.866263 F\n0.388065 0.866025 0.866025 F\n",
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"formula_full": "Li3 Mn3 O1 F7",
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{
"id": "jvasp-107301",
"created_at": "2022-09-04T14:36:56.246087Z",
"updated_at": "2022-09-04T14:36:56.246101Z",
"structure_string": "Nb1 In1 Pb2 O6\n1.0\n5.071956 -0.000000 2.928295\n1.690652 4.781886 2.928295\n-0.000000 -0.000000 5.856591\nNb In Pb O\n1 1 2 6\ndirect\n0.000000 0.000000 0.000000 Nb\n0.500000 0.500000 0.500001 In\n0.750000 0.750001 0.750001 Pb\n0.250000 0.250000 0.250000 Pb\n0.241902 0.758098 0.758098 O\n0.758098 0.241903 0.241903 O\n0.758098 0.758098 0.241903 O\n0.241903 0.241903 0.758098 O\n0.758098 0.241903 0.758098 O\n0.241902 0.758098 0.241903 O\n",
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}