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{
"id": "jvasp-10915",
"created_at": "2022-09-04T14:37:17.187782Z",
"updated_at": "2022-09-04T14:37:17.187804Z",
"structure_string": "Mg2 Bi2 As2 O12\n1.0\n0.000000 6.331666 0.585844\n5.675854 0.000000 0.000000\n0.000000 -2.925505 -6.924716\nMg Bi As O\n2 2 2 12\ndirect\n0.138560 0.750000 0.945325 Mg\n0.861440 0.250000 0.054676 Mg\n0.217895 0.250000 0.579570 Bi\n0.782105 0.750000 0.420432 Bi\n0.401313 0.250000 0.146111 As\n0.598687 0.750000 0.853890 As\n0.768734 0.517637 0.850053 O\n0.062747 0.525657 0.697322 O\n0.514635 0.750000 0.039266 O\n0.937253 0.474343 0.302679 O\n0.062747 0.974342 0.697322 O\n0.937253 0.025657 0.302679 O\n0.485366 0.250000 -0.039265 O\n0.231266 0.017637 0.149948 O\n0.666978 0.250000 0.378627 O\n0.768734 -0.017637 0.850053 O\n0.231266 0.482363 0.149948 O\n0.333022 0.750000 0.621375 O\n",
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{
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"structure_string": "Rb2 S2 O4 F2\n1.0\n0.000000 4.812394 -0.079858\n5.835008 0.000000 0.000000\n0.000000 -2.112173 -6.675416\nRb S O F\n2 2 4 2\ndirect\n0.840307 0.750000 0.718126 Rb\n0.159693 0.250000 0.281875 Rb\n0.600988 0.750000 0.176525 S\n0.399012 0.250000 0.823476 S\n0.669326 0.541329 0.298926 O\n0.330674 0.041329 0.701075 O\n0.330674 0.458671 0.701075 O\n0.669326 0.958672 0.298926 O\n0.802418 0.250000 0.869947 F\n0.197582 0.750000 0.130054 F\n",
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{
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"structure_string": "Sr2 Co1 Cl2 O2\n1.0\n3.783093 0.000000 -0.981297\n-0.254539 3.774519 -0.981297\n0.198036 0.211841 8.546393\nSr Co Cl O\n2 1 2 2\ndirect\n0.608693 0.608693 0.217385 Sr\n0.391308 0.391307 0.782614 Sr\n0.000000 0.000000 0.000000 Co\n0.186360 0.186362 0.372721 Cl\n0.813639 0.813638 0.627278 Cl\n0.500000 0.000000 -0.000000 O\n0.999998 0.500000 -0.000001 O\n",
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"formula_full": "Sr2 Co1 Cl2 O2",
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{
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"created_at": "2022-09-04T14:37:17.458414Z",
"updated_at": "2022-09-04T14:37:17.458430Z",
"structure_string": "Mo1 W2 Se4 S2\n1.0\n3.279431 -0.000004 -0.000026\n-1.639719 2.840083 0.000104\n-0.000251 0.000779 27.922468\nMo W Se S\n1 2 4 2\ndirect\n0.666784 0.333571 0.344250 Mo\n0.333204 0.666537 0.114560 W\n0.333316 0.666506 0.582140 W\n0.333443 0.666864 0.404782 Se\n0.666662 0.333221 0.521229 Se\n0.666638 0.333131 0.642973 Se\n0.333469 0.666957 0.283729 Se\n0.666541 0.333223 0.059224 S\n0.666545 0.333192 0.169952 S\n",
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{
"id": "jvasp-103922",
"created_at": "2022-09-04T14:37:07.702987Z",
"updated_at": "2022-09-04T14:37:07.703014Z",
"structure_string": "Zn1 H10 C7 O4\n1.0\n3.984261 -0.089927 0.998567\n2.263632 3.978225 0.677652\n0.191073 -0.356537 11.654953\nZn H C O\n1 10 7 4\ndirect\n0.820449 0.869417 0.816495 Zn\n0.266747 0.101557 0.430833 H\n0.417003 0.121091 0.200851 H\n0.926301 0.307339 0.202311 H\n0.799469 0.781837 0.323888 H\n0.290810 0.598431 0.320292 H\n0.437768 0.637361 0.102249 H\n0.954643 0.817017 0.099565 H\n0.134685 0.624048 0.534865 H\n0.645169 0.758629 0.556720 H\n0.772635 0.286696 0.438043 H\n0.929760 0.341385 0.659839 C\n0.927569 0.533194 0.544562 C\n0.006289 0.343394 0.433721 C\n0.060364 0.539545 0.320947 C\n0.156448 0.362712 0.204891 C\n0.213252 0.575572 0.098212 C\n0.331328 0.432629 0.975178 C\n0.282866 0.635823 0.888611 O\n0.980338 0.426623 0.750198 O\n0.884807 0.085476 0.661800 O\n0.488807 0.117540 0.964355 O\n",
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"created_at": "2022-09-04T14:37:17.123148Z",
"updated_at": "2022-09-04T14:37:17.123168Z",
"structure_string": "K2 Na1 Ce1 Br6\n1.0\n6.961525 -0.000000 4.019238\n2.320508 6.563388 4.019238\n-0.000000 -0.000000 8.038476\nK Na Ce Br\n2 1 1 6\ndirect\n0.750000 0.750000 0.750001 K\n0.250000 0.250000 0.250000 K\n0.500000 0.500000 0.500001 Na\n0.000000 0.000000 0.000000 Ce\n0.747482 0.252517 0.252518 Br\n0.252517 0.252517 0.747483 Br\n0.252517 0.747483 0.747483 Br\n0.252517 0.747483 0.252517 Br\n0.747482 0.252517 0.747484 Br\n0.747483 0.747483 0.252518 Br\n",
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"formula_full": "K2 Na1 Ce1 Br6",
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"spacegroup": 225
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{
"id": "jvasp-21327",
"created_at": "2022-09-04T14:37:07.703789Z",
"updated_at": "2022-09-04T14:37:07.703810Z",
"structure_string": "Zn4 Bi2 W2 O12\n1.0\n0.000000 5.485251 -0.100533\n5.520271 0.000000 0.000000\n0.000000 -5.114766 -8.131348\nZn Bi W O\n4 2 2 12\ndirect\n0.288443 0.988251 0.256532 Zn\n0.711556 0.488251 0.243468 Zn\n0.711556 0.011749 0.743468 Zn\n0.288443 0.511749 0.756532 Zn\n0.500000 0.000000 -0.000000 Bi\n0.499999 0.500000 0.500000 Bi\n-0.000000 0.000000 0.500000 W\n0.000000 0.500000 0.000000 W\n0.666402 0.133552 0.285757 O\n0.333597 0.633552 0.214243 O\n0.739853 0.633470 0.059411 O\n0.260146 0.133470 0.440589 O\n0.260145 0.366530 0.940589 O\n0.980469 0.196923 0.096061 O\n0.019530 0.803077 0.903939 O\n0.980469 0.303077 0.596061 O\n0.333597 0.866448 0.714243 O\n0.019530 0.696922 0.403939 O\n0.739853 0.866530 0.559411 O\n0.666402 0.366448 0.785757 O\n",
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"structure_string": "Ba1 Ag2 Ge1 Se4\n1.0\n6.113701 -0.016672 -2.480647\n-3.558004 5.392099 -1.340561\n0.041951 0.016672 6.597665\nBa Ag Ge Se\n1 2 1 4\ndirect\n0.000000 0.000000 0.000000 Ba\n0.500001 0.817272 0.317272 Ag\n0.500000 0.182729 0.682729 Ag\n0.000000 0.500000 0.500000 Ge\n0.003567 0.858758 0.473180 Se\n0.996433 0.469613 0.855192 Se\n0.614421 0.141242 0.144809 Se\n0.385579 0.530387 0.526821 Se\n",
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"structure_string": "Sm2 Al1 N1 O3\n1.0\n3.688832 0.000000 -0.000000\n-0.000000 3.688832 0.000000\n-1.844416 -1.844416 6.209192\nSm Al N O\n2 1 1 3\ndirect\n0.518801 0.518801 0.037602 Sm\n0.808223 0.808223 0.616446 Sm\n0.157233 0.157233 0.314466 Al\n0.995608 0.995608 0.991219 N\n0.170636 0.670636 0.341273 O\n0.670636 0.170636 0.341273 O\n0.331559 0.331559 0.663118 O\n",
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"created_at": "2022-09-04T14:37:17.150822Z",
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"structure_string": "Cu2 Bi2 Se2 O2\n1.0\n3.953099 0.000000 0.000000\n0.000000 3.953099 0.000000\n0.000000 0.000000 9.082222\nCu Bi Se O\n2 2 2 2\ndirect\n0.000000 0.000000 0.500000 Cu\n0.500000 0.500000 0.500000 Cu\n0.000000 0.500000 0.860126 Bi\n0.500000 0.000000 0.139874 Bi\n0.500000 0.000000 0.675102 Se\n0.000000 0.500000 0.324897 Se\n0.500000 0.500000 0.000000 O\n0.000000 0.000000 0.000000 O\n",
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{
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"structure_string": "V1 Cu3 Se2 S2\n1.0\n5.504726 -0.039235 0.000000\n-0.149407 5.502837 0.000000\n0.000000 0.000000 5.496919\nV Cu Se S\n1 3 2 2\ndirect\n0.000000 0.000000 0.000425 V\n0.500000 0.000000 0.011215 Cu\n-0.000000 0.500000 0.011215 Cu\n0.000000 0.000000 0.494073 Cu\n0.745504 0.745505 0.754313 Se\n0.254496 0.254497 0.754313 Se\n0.229048 0.770952 0.237223 S\n0.770952 0.229049 0.237223 S\n",
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{
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"structure_string": "Mo1 W3 Se4 S4\n1.0\n3.256946 -0.000001 -0.000000\n-1.628474 2.820350 -0.000634\n-0.000001 -0.007269 33.110871\nMo W Se S\n1 3 4 4\ndirect\n0.333241 0.666480 0.087145 Mo\n0.333541 0.667079 0.469596 W\n0.666454 0.332904 0.282110 W\n0.666774 0.333545 0.664065 W\n0.333496 0.666988 0.715614 Se\n0.666503 0.333002 0.035901 Se\n0.666727 0.333450 0.138450 Se\n0.333277 0.666552 0.612459 Se\n0.333136 0.666271 0.329018 S\n0.666647 0.333288 0.422691 S\n0.667117 0.334232 0.516516 S\n0.333104 0.666207 0.235183 S\n",
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]
}