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{
"id": "jvasp-120606",
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"structure_string": "Sr3 Ta2 Zn1 O9\n1.0\n5.701998 -0.000000 0.000000\n-2.850998 4.938075 0.000000\n-0.000000 -0.000000 7.023579\nSr Ta Zn O\n3 2 1 9\ndirect\n0.000000 0.000000 0.000000 Sr\n0.666667 0.333334 0.340555 Sr\n0.333334 0.666667 0.659445 Sr\n0.666667 0.333334 0.823542 Ta\n0.333334 0.666667 0.176458 Ta\n0.000000 0.000000 0.500000 Zn\n0.500000 0.000000 -0.000000 O\n0.500000 0.500000 -0.000000 O\n0.000000 0.500000 -0.000000 O\n0.830302 0.660604 0.673945 O\n0.830302 0.169698 0.673945 O\n0.339397 0.169698 0.673945 O\n0.169698 0.339397 0.326055 O\n0.169698 0.830302 0.326055 O\n0.660604 0.830302 0.326055 O\n",
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"structure_string": "Al2 Co3 Ge1 O8\n1.0\n5.073135 0.079807 -2.916865\n-1.618679 4.724668 -3.050993\n-0.002611 -0.079807 5.851905\nAl Co Ge O\n2 3 1 8\ndirect\n0.617550 0.376071 0.241480 Al\n0.134592 0.376071 0.758521 Al\n0.245771 0.745771 0.500000 Co\n0.624780 0.394941 0.770161 Co\n0.624780 0.854619 0.229841 Co\n0.013723 0.013723 0.000000 Ge\n0.876760 0.138931 0.262173 O\n0.876760 0.614587 0.737829 O\n0.889165 0.142724 0.746441 O\n0.396284 0.142724 0.253561 O\n0.377671 0.598602 0.220932 O\n0.377671 0.156740 0.779068 O\n0.344976 0.597250 0.747726 O\n0.849525 0.597250 0.252276 O\n",
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{
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"structure_string": "Nd1 Mn5 Cu2 O12\n1.0\n5.990933 -0.087141 -2.130637\n-2.952571 5.202970 -2.156365\n-0.025627 0.087141 6.358478\nNd Mn Cu O\n1 5 2 12\ndirect\n0.000000 0.000000 0.000000 Nd\n0.000000 0.500000 -0.000000 Mn\n0.500000 0.500000 0.499999 Mn\n-0.000000 -0.000000 0.500000 Mn\n0.500000 0.000000 -0.000000 Mn\n0.500000 0.500000 -0.000001 Mn\n0.499999 -0.000000 0.500000 Cu\n-0.000000 0.500000 0.500000 Cu\n0.127133 0.304144 0.822988 O\n0.481156 0.304145 0.177011 O\n0.821281 0.120585 0.299304 O\n0.178718 0.478023 0.299304 O\n0.821281 0.521977 0.700695 O\n0.303467 0.181400 0.484867 O\n0.696532 0.181400 0.877932 O\n0.696532 0.818600 0.515132 O\n0.872866 0.695855 0.177010 O\n0.303467 0.818600 0.122066 O\n0.178718 0.879415 0.700695 O\n0.518843 0.695855 0.822988 O\n",
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{
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"updated_at": "2022-09-04T14:38:49.800532Z",
"structure_string": "Ba2 Zr1 In1 O6\n1.0\n5.211313 0.000000 3.008753\n1.737104 4.913273 3.008753\n-0.000000 -0.000000 6.017505\nBa Zr In O\n2 1 1 6\ndirect\n0.250000 0.250000 0.250000 Ba\n0.749999 0.750000 0.750001 Ba\n0.499999 0.500000 0.500000 Zr\n0.000000 0.000000 0.000000 In\n0.254223 0.254224 0.745777 O\n0.745775 0.745776 0.254224 O\n0.254223 0.745776 0.254224 O\n0.745776 0.254224 0.745777 O\n0.745776 0.254224 0.254224 O\n0.254223 0.745776 0.745777 O\n",
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{
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"created_at": "2022-09-04T14:38:53.204987Z",
"updated_at": "2022-09-04T14:38:53.205013Z",
"structure_string": "Ba4 Co8 Br2 O14\n1.0\n5.659633 0.010709 1.060905\n2.721096 4.962580 1.060905\n-0.053367 -0.031669 15.887631\nBa Co Br O\n4 8 2 14\ndirect\n0.429984 0.435519 0.702135 Ba\n0.564481 0.570016 0.297865 Ba\n0.283248 0.288709 0.141502 Ba\n0.711290 0.716752 0.858497 Ba\n-0.002826 0.502826 0.499998 Co\n-0.002830 0.002829 0.500000 Co\n0.497174 0.002826 0.500002 Co\n0.100705 0.106225 0.689975 Co\n0.893775 0.899294 0.310024 Co\n0.779622 0.785184 0.653103 Co\n0.214816 0.220378 0.346896 Co\n0.497191 0.502809 0.500000 Co\n0.357635 0.363080 0.919418 Br\n0.636920 0.642365 0.080582 Br\n0.339053 0.887116 0.431836 O\n0.443148 0.917177 0.725719 O\n0.911656 0.448687 0.725705 O\n0.911644 0.917162 0.725715 O\n0.551313 0.088343 0.274294 O\n0.082823 0.556852 0.274280 O\n0.082838 0.088356 0.274285 O\n0.852038 0.857704 0.435277 O\n0.142296 0.147962 0.564723 O\n0.112884 0.660947 0.568163 O\n0.655296 0.118522 0.568169 O\n0.655301 0.660956 0.568170 O\n0.881478 0.344704 0.431831 O\n0.339044 0.344699 0.431829 O\n",
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{
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"created_at": "2022-09-04T14:38:50.219880Z",
"updated_at": "2022-09-04T14:38:50.219911Z",
"structure_string": "Li5 V1 O4 F1\n1.0\n4.890183 0.050066 1.468406\n3.300735 3.608539 1.468406\n0.040758 0.018205 5.766299\nLi V O F\n5 1 4 1\ndirect\n0.670039 0.670040 0.109402 Li\n0.698621 0.698624 0.655581 Li\n0.287408 0.287410 0.304930 Li\n0.316581 0.316583 0.854793 Li\n0.987679 0.987682 0.478691 Li\n0.975157 0.975159 0.017678 V\n0.134990 0.134990 0.150718 O\n0.487957 0.487960 0.990751 O\n0.826620 0.826623 0.310987 O\n0.853649 0.853653 0.804950 O\n0.159932 0.159933 0.648031 F\n",
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{
"id": "jvasp-117240",
"created_at": "2022-09-04T14:38:49.871465Z",
"updated_at": "2022-09-04T14:38:49.871494Z",
"structure_string": "Mg2 Ga2 Mo2 S8\n1.0\n6.396804 0.000128 3.668107\n2.010174 5.938516 3.906019\n0.017665 0.303875 7.380215\nMg Ga Mo S\n2 2 2 8\ndirect\n0.861795 0.888204 0.888185 Mg\n0.109670 0.140287 0.140294 Mg\n0.504052 0.486924 0.486924 Ga\n0.022137 0.486917 0.486917 Ga\n0.497546 0.551992 -0.047083 Mo\n0.497548 -0.047087 0.551998 Mo\n0.780852 0.729821 0.729841 S\n0.273916 0.222548 0.729648 S\n0.273883 0.729651 0.222571 S\n0.707834 0.261726 0.261742 S\n0.721310 0.298212 0.759198 S\n0.259483 0.729861 0.729829 S\n0.268680 0.261733 0.261722 S\n0.721291 0.759219 0.298213 S\n",
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{
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"structure_string": "Mn2 V2 P4 O16\n1.0\n4.779385 0.016395 -0.000008\n-0.245145 9.806703 0.000027\n0.000012 -0.000017 5.805997\nMn V P O\n2 2 4 16\ndirect\n0.929474 0.276598 0.250000 Mn\n0.070525 0.723402 0.750001 Mn\n0.436945 0.223515 0.750000 V\n0.563055 0.776484 0.250000 V\n0.396058 0.088063 0.250000 P\n0.603940 0.911937 0.750001 P\n0.876790 0.408207 0.750000 P\n0.123209 0.591791 0.250000 P\n0.717019 0.333424 0.545860 O\n0.717018 0.333424 0.954141 O\n0.743349 0.837480 0.961328 O\n0.743349 0.837481 0.538673 O\n0.256651 0.162518 0.461324 O\n0.256652 0.162518 0.038677 O\n0.831072 0.560948 0.750000 O\n0.287095 0.890689 0.750001 O\n0.811992 0.622202 0.250000 O\n0.188010 0.377797 0.750001 O\n0.282981 0.666574 0.045862 O\n0.712902 0.109310 0.250000 O\n0.321883 0.935559 0.250000 O\n0.678117 0.064441 0.750000 O\n0.168925 0.439051 0.250000 O\n0.282981 0.666574 0.454138 O\n",
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{
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"created_at": "2022-09-04T14:38:53.061845Z",
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"structure_string": "Ba2 Yb1 Cu3 O7\n1.0\n3.817182 -0.000000 0.000000\n0.000000 3.865328 0.000000\n-0.000000 -0.000000 11.734717\nYb Ba Cu O\n1 2 3 7\ndirect\n0.500000 0.500000 0.500000 Yb\n0.500000 0.500000 0.190539 Ba\n0.500000 0.500000 0.809462 Ba\n0.000000 0.000000 0.364636 Cu\n0.000000 0.000000 0.635364 Cu\n0.000000 0.000000 0.000000 Cu\n0.500000 0.000000 0.375897 O\n0.500000 0.000000 0.624104 O\n-0.000000 0.500000 0.375557 O\n-0.000000 0.500000 0.624443 O\n0.000000 0.000000 0.157867 O\n0.000000 0.000000 0.842133 O\n-0.000000 0.500000 -0.000000 O\n",
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{
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"structure_string": "K2 Rb1 Bi1 Br6\n1.0\n7.355198 -0.000000 4.246526\n2.451733 6.934548 4.246526\n-0.000000 -0.000000 8.493052\nK Rb Bi Br\n2 1 1 6\ndirect\n0.750000 0.750000 0.750001 K\n0.250000 0.250000 0.250000 K\n0.500000 0.500000 0.500000 Rb\n0.000000 0.000000 0.000000 Bi\n0.762792 0.237208 0.237209 Br\n0.237208 0.237208 0.762792 Br\n0.237208 0.762792 0.762792 Br\n0.237208 0.762792 0.237209 Br\n0.762792 0.237208 0.762792 Br\n0.762792 0.762792 0.237209 Br\n",
"nsites": 10,
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{
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"created_at": "2022-09-04T14:38:54.266052Z",
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"structure_string": "Tb4 Mo4 O16 F4\n1.0\n12.328053 0.000000 0.000000\n-0.000000 4.810471 2.045614\n-0.000000 -0.005842 6.699575\nTb Mo O F\n4 4 16 4\ndirect\n0.551286 0.638501 0.699983 Tb\n0.448713 0.361500 0.300015 Tb\n0.948713 0.638501 0.199984 Tb\n0.051286 0.361500 0.800015 Tb\n0.143964 0.075747 0.371464 Mo\n0.356036 0.075747 0.871464 Mo\n0.856036 0.924253 0.628534 Mo\n0.643964 0.924253 0.128535 Mo\n0.434209 0.306224 0.961694 O\n0.654838 0.238979 0.907319 O\n0.277016 0.189770 0.293349 O\n0.934209 0.693777 0.538305 O\n0.930450 0.995162 0.835771 O\n0.569550 0.995162 0.335771 O\n0.845162 0.238979 0.407319 O\n0.565791 0.693777 0.038305 O\n0.722984 0.810231 0.706649 O\n0.154838 0.761021 0.592679 O\n0.222984 0.189770 0.793349 O\n0.777016 0.810230 0.206650 O\n0.065791 0.306223 0.461694 O\n0.345162 0.761021 0.092680 O\n0.430450 0.004839 0.664227 O\n0.069550 0.004838 0.164227 O\n0.900076 0.449995 0.964751 F\n0.400076 0.550005 0.535247 F\n0.099924 0.550005 0.035248 F\n0.599923 0.449995 0.464751 F\n",
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{
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"created_at": "2022-09-04T14:38:53.202949Z",
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"structure_string": "P2 H2 Pb2 O8\n1.0\n6.641227 -0.000000 0.000000\n0.000000 4.662531 0.512688\n-0.000000 -0.052660 5.796091\nP H Pb O\n2 2 2 8\ndirect\n0.792454 0.488581 0.247404 P\n0.207547 0.488581 0.747404 P\n0.475996 0.514084 0.984268 H\n0.524004 0.514084 0.484268 H\n0.206580 -0.000431 0.269493 Pb\n0.793420 -0.000431 0.769493 Pb\n0.656801 0.359526 0.067973 O\n0.650862 0.632992 0.426835 O\n0.349138 0.632992 0.926835 O\n0.343199 0.359526 0.567973 O\n0.918393 0.254929 0.387098 O\n0.922966 0.734017 0.131728 O\n0.077035 0.734017 0.631728 O\n0.081607 0.254929 0.887098 O\n",
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}