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{
"id": "jvasp-114322",
"created_at": "2022-09-04T14:38:40.585935Z",
"updated_at": "2022-09-04T14:38:40.585944Z",
"structure_string": "K1 Zn1\n1.0\n4.761371 0.000000 0.000000\n-0.000000 4.761371 -0.000000\n0.000000 0.000000 3.271419\nK Zn\n1 1\ndirect\n0.000000 0.000000 0.000000 K\n0.500000 0.500000 0.000000 Zn\n",
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{
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"structure_string": "K2 Sc1 In1 Cl6\n1.0\n6.647699 0.000000 3.838051\n2.215900 6.267511 3.838051\n0.000000 0.000000 7.676103\nK Sc In Cl\n2 1 1 6\ndirect\n0.750000 0.750000 0.750000 K\n0.250000 0.250000 0.250000 K\n0.000000 0.000000 0.000000 Sc\n0.500000 0.500000 0.500000 In\n0.771585 0.228415 0.228415 Cl\n0.228415 0.228415 0.771584 Cl\n0.228415 0.771584 0.771584 Cl\n0.228415 0.771584 0.228415 Cl\n0.771585 0.228415 0.771584 Cl\n0.771585 0.771584 0.228415 Cl\n",
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{
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"structure_string": "K12 V4 S8 O8\n1.0\n7.310451 0.000000 0.000000\n0.000000 9.520420 -4.319170\n0.000000 -0.054606 10.806155\nK V S O\n12 4 8 8\ndirect\n0.258340 0.054482 0.116788 K\n0.131481 0.320042 0.839947 K\n0.741659 0.945517 0.883212 K\n0.241660 0.554482 0.616788 K\n0.868519 0.679958 0.160053 K\n0.276258 0.439249 0.213058 K\n0.631481 0.179958 0.660053 K\n0.776258 0.060751 0.286942 K\n0.723742 0.560750 0.786942 K\n0.223742 0.939249 0.713058 K\n0.758340 0.445518 0.383212 K\n0.368519 0.820042 0.339947 K\n0.698211 0.338660 0.029663 V\n0.801789 0.838660 0.529663 V\n0.301789 0.661339 0.970337 V\n0.198211 0.161340 0.470337 V\n0.078549 0.767708 0.908533 S\n0.921451 0.232292 0.091468 S\n0.964000 0.307178 0.555733 S\n0.578549 0.732291 0.591468 S\n0.036000 0.692822 0.444268 S\n0.421451 0.267708 0.408532 S\n0.536000 0.807178 0.055732 S\n0.464000 0.192821 0.944268 S\n0.871169 0.979022 0.670336 O\n0.717208 0.893460 0.414040 O\n0.371169 0.520977 0.829664 O\n0.217208 0.606540 0.085960 O\n0.782792 0.393460 0.914040 O\n0.128831 0.020978 0.329664 O\n0.282792 0.106540 0.585960 O\n0.628831 0.479022 0.170336 O\n",
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{
"id": "jvasp-8084",
"created_at": "2022-09-04T14:36:54.094456Z",
"updated_at": "2022-09-04T14:36:54.094494Z",
"structure_string": "K2 Cu2 C4\n1.0\n4.913872 -0.000000 0.000000\n0.000000 4.913872 0.000000\n0.000000 0.000000 7.444605\nK Cu C\n2 2 4\ndirect\n0.000000 0.000000 0.750000 K\n0.000000 0.000000 0.250000 K\n0.500000 0.500000 0.000000 Cu\n0.500000 0.500000 0.500000 Cu\n0.873021 0.500000 0.500000 C\n0.500000 0.873021 0.000000 C\n0.126978 0.500000 0.500000 C\n0.500000 0.126978 0.000000 C\n",
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{
"id": "jvasp-31842",
"created_at": "2022-09-04T14:38:07.382936Z",
"updated_at": "2022-09-04T14:38:07.382946Z",
"structure_string": "Ti2 S2 Cl12 O2\n1.0\n6.135858 0.030862 -0.160616\n-2.965276 6.602183 -2.308994\n-0.025999 0.049465 10.771080\nTi S Cl O\n2 2 12 2\ndirect\n0.928971 0.761349 0.854321 Ti\n0.071028 0.238651 0.145679 Ti\n0.363227 0.013561 0.304197 S\n0.636772 0.986439 0.695803 S\n0.181388 0.672759 0.941732 Cl\n0.956926 0.188159 0.668426 Cl\n0.818611 0.327241 0.058268 Cl\n0.207698 0.118356 0.934734 Cl\n0.041461 0.724559 0.655246 Cl\n0.403793 0.522343 0.195831 Cl\n0.545576 0.767284 0.507403 Cl\n0.792302 0.881644 0.065266 Cl\n0.454423 0.232716 0.492597 Cl\n0.043073 0.811840 0.331573 Cl\n0.596206 0.477657 0.804169 Cl\n0.958539 0.275441 0.344754 Cl\n0.693437 0.896848 0.788563 O\n0.306563 0.103152 0.211437 O\n",
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{
"id": "jvasp-32703",
"created_at": "2022-09-04T14:37:03.408599Z",
"updated_at": "2022-09-04T14:37:03.408609Z",
"structure_string": "Mn1 H10 S2 N4 O8\n1.0\n5.275259 0.012458 -1.356904\n-1.037394 5.705239 -0.268458\n-0.034000 -0.003009 7.386948\nMn H S N O\n1 10 2 4 8\ndirect\n0.000000 0.000000 0.000000 Mn\n0.780773 0.451799 0.826810 H\n0.560982 0.216287 0.710435 H\n0.219228 0.548202 0.173191 H\n0.902971 0.711605 0.277199 H\n0.871151 0.066252 0.613479 H\n0.097029 0.288396 0.722802 H\n0.712867 0.407343 0.586725 H\n0.287134 0.592658 0.413276 H\n0.439019 0.783714 0.289566 H\n0.128850 0.933748 0.386522 H\n0.639241 0.252329 0.221438 S\n0.360760 0.747672 0.778563 S\n0.069295 0.819251 0.266403 N\n0.265429 0.673092 0.286685 N\n0.930706 0.180749 0.733598 N\n0.734572 0.326908 0.713315 N\n0.694887 0.467223 0.353249 O\n0.833280 0.275323 0.108763 O\n0.375727 0.232404 0.093581 O\n0.660475 0.044386 0.329889 O\n0.339526 0.955614 0.670112 O\n0.624274 0.767597 0.906420 O\n0.166721 0.724678 0.891238 O\n0.305114 0.532777 0.646752 O\n",
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"formula_full": "Mn1 H10 S2 N4 O8",
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{
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"created_at": "2022-09-04T14:36:04.698036Z",
"updated_at": "2022-09-04T14:36:04.698053Z",
"structure_string": "Li4 Zr1 Be1\n1.0\n-0.000000 3.567114 3.567114\n3.567114 0.000000 3.567114\n3.567114 3.567114 0.000000\nLi Zr Be\n4 1 1\ndirect\n0.119791 0.626736 0.626736 Li\n0.626736 0.626736 0.626736 Li\n0.626736 0.119791 0.626736 Li\n0.626736 0.626736 0.119791 Li\n0.250000 0.250000 0.250000 Zr\n0.000000 0.000000 0.000000 Be\n",
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{
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"created_at": "2022-09-04T14:38:10.926103Z",
"updated_at": "2022-09-04T14:38:10.926127Z",
"structure_string": "K16 O8\n1.0\n6.363450 -0.000000 0.000000\n0.000000 6.575013 0.000000\n0.000000 0.000000 12.773143\nK O\n16 8\ndirect\n0.999459 0.261123 0.020874 K\n0.000541 0.738876 0.979125 K\n0.500541 0.761123 0.979125 K\n0.143729 0.119511 0.795893 K\n0.643729 0.380489 0.795893 K\n0.643729 0.880489 0.704107 K\n0.000541 0.238877 0.520874 K\n0.500541 0.261123 0.520874 K\n0.143729 0.619511 0.704107 K\n0.999459 0.761123 0.479126 K\n0.856271 0.380489 0.295893 K\n0.356271 0.119511 0.295893 K\n0.356271 0.619511 0.204107 K\n0.856271 0.880489 0.204107 K\n0.499459 0.238877 0.020874 K\n0.499459 0.738876 0.479126 K\n0.264781 0.471169 0.885066 O\n0.235219 0.971168 0.114934 O\n0.735219 0.528831 0.114934 O\n0.735219 0.028831 0.385066 O\n0.235219 0.471169 0.385066 O\n0.264781 0.971168 0.614934 O\n0.764781 0.528831 0.614934 O\n0.764781 0.028831 0.885066 O\n",
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{
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"created_at": "2022-09-04T14:37:54.389832Z",
"updated_at": "2022-09-04T14:37:54.389858Z",
"structure_string": "Rb3 Zn1\n1.0\n-3.088302 3.088302 5.981550\n3.088302 -3.088302 5.981550\n3.088302 3.088302 -5.981550\nRb Zn\n3 1\ndirect\n0.750000 0.250000 0.500000 Rb\n0.250000 0.750000 0.500000 Rb\n0.500000 0.500000 0.000000 Rb\n0.000000 0.000000 0.000000 Zn\n",
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"structure_string": "S4 N4\n1.0\n0.000000 -2.864733 -1.097009\n-4.681948 0.000000 0.000000\n0.000000 0.384676 -9.595402\nS N\n4 4\ndirect\n0.625711 0.221816 0.623937 S\n0.374286 0.778185 0.376064 S\n0.125712 0.278185 0.123937 S\n0.874285 0.721816 0.876064 S\n0.600776 0.908529 0.648875 N\n0.399222 0.091471 0.351125 N\n0.100777 0.591472 0.148875 N\n0.899221 0.408529 0.851125 N\n",
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{
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"structure_string": "Mn1 H4 Cl2 O2\n1.0\n3.659156 0.105066 -0.420452\n-0.778825 5.528735 -0.843088\n0.126970 -0.053920 5.644931\nMn H Cl O\n1 4 2 2\ndirect\n0.000000 0.000000 0.000000 Mn\n0.837174 0.601526 0.229129 H\n0.162825 0.770871 0.398473 H\n0.162826 0.398474 0.770871 H\n0.837175 0.229129 0.601526 H\n0.444996 0.753993 0.753993 Cl\n0.555003 0.246007 0.246006 Cl\n-0.000001 0.753960 0.246039 O\n-0.000000 0.246039 0.753960 O\n",
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{
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"structure_string": "Cd1 H12 C8 O4\n1.0\n3.702612 -0.144358 0.575068\n-1.034794 4.402592 -0.628361\n-0.144726 1.296573 12.330036\nCd H C O\n1 12 8 4\ndirect\n0.629415 0.562930 0.179050 Cd\n0.747809 0.852521 0.541566 H\n0.947536 0.714182 0.935931 H\n0.413177 0.737775 0.889125 H\n0.852284 0.783108 0.738319 H\n0.328515 0.819409 0.694719 H\n0.930697 0.306710 0.663349 H\n0.223863 0.884813 0.497505 H\n0.035071 0.241151 0.860565 H\n0.511176 0.273496 0.816556 H\n0.845639 0.388111 0.468923 H\n0.311303 0.411772 0.422120 H\n0.406888 0.342909 0.619714 H\n0.348616 0.013207 0.025051 C\n0.225231 0.879313 0.918219 C\n0.231461 0.108604 0.830725 C\n0.130402 0.951826 0.723657 C\n0.027525 0.017396 0.527358 C\n0.033645 0.246607 0.439848 C\n0.910272 0.112586 0.333031 C\n0.128745 0.174240 0.634405 C\n0.254841 0.836937 0.109492 O\n0.709918 0.837931 0.332173 O\n0.003938 0.288773 0.248572 O\n0.549092 0.287812 0.025939 O\n",
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]
}