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{
"id": "jvasp-98439",
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"structure_string": "Cd4 H16 S8 O20\n1.0\n5.517400 0.000000 -1.127211\n0.000000 7.148273 0.000000\n-0.074108 0.000000 14.134374\nCd H S O\n4 16 8 20\ndirect\n0.445463 0.169406 0.818086 Cd\n0.945463 0.330593 0.318086 Cd\n0.554536 0.830593 0.181914 Cd\n0.054536 0.669406 0.681913 Cd\n0.465338 0.635311 0.582634 H\n0.965338 0.864689 0.082634 H\n0.534661 0.364689 0.417366 H\n0.034661 0.135311 0.917366 H\n0.700920 0.858879 0.536468 H\n0.200920 0.641121 0.036469 H\n0.299079 0.141121 0.463531 H\n0.799079 0.358879 0.963531 H\n0.221968 0.624853 0.505090 H\n0.721968 0.875147 0.005090 H\n0.778031 0.375147 0.494910 H\n0.278031 0.124853 0.994909 H\n0.728974 0.661671 0.483398 H\n0.228973 0.838328 0.983398 H\n0.271026 0.338328 0.516602 H\n0.771026 0.161671 0.016602 H\n0.855498 0.177508 0.658987 S\n0.355499 0.322492 0.158987 S\n0.144501 0.822491 0.341013 S\n0.644501 0.677508 0.841013 S\n0.177722 0.026605 0.664562 S\n0.677723 0.473394 0.164562 S\n0.822277 0.973394 0.335438 S\n0.322277 0.526605 0.835438 S\n0.702390 0.415482 0.428193 O\n0.202390 0.084518 0.928193 O\n0.738806 0.724372 0.546258 O\n0.238806 0.775628 0.046258 O\n0.261193 0.275628 0.453742 O\n0.761193 0.224372 0.953742 O\n0.903690 0.363824 0.619588 O\n0.403690 0.136176 0.119588 O\n0.096310 0.636176 0.380412 O\n0.596310 0.863823 0.880411 O\n0.810108 0.195777 0.757854 O\n0.310108 0.304223 0.257854 O\n0.189892 0.804223 0.242146 O\n0.689892 0.695777 0.742146 O\n0.664384 0.079331 0.591559 O\n0.164385 0.420669 0.091559 O\n0.335615 0.920669 0.408440 O\n0.835615 0.579330 0.908440 O\n0.797610 0.915482 0.071807 O\n0.297610 0.584518 0.571806 O\n",
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{
"id": "jvasp-87091",
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"updated_at": "2022-09-04T14:35:49.572586Z",
"structure_string": "K3 Na1 Se2 O8\n1.0\n5.861395 0.000000 -0.000000\n-2.930697 5.076116 -0.000000\n-0.000000 -0.000000 7.509885\nK Na Se O\n3 1 2 8\ndirect\n0.000000 0.000000 0.500000 K\n0.666666 0.333333 0.159473 K\n0.333333 0.666667 0.840527 K\n0.000000 0.000000 0.000000 Na\n0.666666 0.333333 0.719469 Se\n0.333333 0.666667 0.280530 Se\n0.358760 0.179380 0.801036 O\n0.820619 0.179380 0.801036 O\n0.820619 0.641241 0.801036 O\n0.179380 0.820621 0.198963 O\n0.641240 0.820621 0.198963 O\n0.179380 0.358760 0.198963 O\n0.333333 0.666667 0.500477 O\n0.666666 0.333333 0.499522 O\n",
"nsites": 14,
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{
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"created_at": "2022-09-04T14:36:01.800694Z",
"updated_at": "2022-09-04T14:36:01.800720Z",
"structure_string": "Te4 Mo1 W3 Se4\n1.0\n3.444449 0.000000 -0.000000\n-1.722224 2.982413 -0.009599\n-0.000000 -0.108262 33.482011\nTe Mo W Se\n4 1 3 4\ndirect\n0.336580 0.673158 0.734083 Te\n0.665508 0.331014 0.018101 Te\n0.669344 0.338687 0.129171 Te\n0.332410 0.664818 0.622466 Te\n0.334088 0.668174 0.073604 Mo\n0.328283 0.656565 0.472463 W\n0.669790 0.339578 0.278535 W\n0.667815 0.335630 0.678317 W\n0.338378 0.676755 0.327580 Se\n0.659501 0.319000 0.423395 Se\n0.663653 0.327305 0.521571 Se\n0.334658 0.669313 0.229461 Se\n",
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{
"id": "jvasp-47983",
"created_at": "2022-09-04T14:35:49.768970Z",
"updated_at": "2022-09-04T14:35:49.769000Z",
"structure_string": "Li2 Fe2 Co1 O6\n1.0\n2.814060 0.002781 -0.006344\n-0.004284 5.739066 -0.021221\n-1.392169 -1.724373 6.117003\nLi Fe Co O\n2 2 1 6\ndirect\n0.646070 0.302479 0.292659 Li\n0.353931 0.697522 0.707342 Li\n0.665214 0.837436 0.330454 Fe\n0.334787 0.162565 0.669546 Fe\n0.000001 0.500000 0.000000 Co\n0.511896 0.727356 0.023991 O\n0.157779 0.601482 0.315371 O\n0.823214 0.927943 0.646216 O\n0.176787 0.072058 0.353784 O\n0.842222 0.398520 0.684630 O\n0.488105 0.272645 0.976009 O\n",
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{
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"created_at": "2022-09-04T14:35:50.952319Z",
"updated_at": "2022-09-04T14:35:50.952354Z",
"structure_string": "Li2 U1 Mo2 O10\n1.0\n5.244928 0.015195 -1.003132\n-1.761253 5.227936 -1.829808\n-0.033263 -0.011169 8.278357\nLi U Mo O\n2 1 2 10\ndirect\n0.480377 0.215807 0.423927 Li\n0.519625 0.784195 0.576074 Li\n0.000000 0.000000 0.000000 U\n0.913707 0.656268 0.303489 Mo\n0.086295 0.343733 0.696512 Mo\n0.783310 0.126183 0.540482 O\n0.784690 0.793901 0.150625 O\n0.683106 0.947846 0.836736 O\n0.980963 0.375823 0.177479 O\n0.314683 0.431824 0.583398 O\n0.019039 0.624179 0.822522 O\n0.215312 0.206100 0.849376 O\n0.685319 0.568177 0.416603 O\n0.216692 0.873818 0.459519 O\n0.316896 0.052155 0.163265 O\n",
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"formula_full": "Li2 U1 Mo2 O10",
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{
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"created_at": "2022-09-04T14:35:47.551099Z",
"updated_at": "2022-09-04T14:35:47.551116Z",
"structure_string": "Li5 Cu3 Sb2 O10\n1.0\n5.252020 -0.034337 -0.032592\n-1.372294 5.372989 0.074719\n-1.983997 -2.309407 7.226307\nLi Cu Sb O\n5 3 2 10\ndirect\n0.226910 0.884495 0.377196 Li\n0.411524 0.303584 0.806438 Li\n0.500000 0.500000 0.500000 Li\n0.588476 0.696415 0.193563 Li\n0.773091 0.115504 0.622805 Li\n0.000000 0.500000 0.000000 Cu\n0.711435 0.886210 0.901240 Cu\n0.288566 0.113789 0.098760 Cu\n0.889552 0.303212 0.300780 Sb\n0.110448 0.696787 0.699221 Sb\n0.648765 0.337706 0.069716 O\n0.061548 0.028359 0.824505 O\n0.351236 0.662293 0.930285 O\n0.142149 0.342359 0.555493 O\n0.214611 0.524193 0.249990 O\n0.450823 0.884587 0.655935 O\n0.549178 0.115412 0.344065 O\n0.785389 0.475807 0.750011 O\n0.857851 0.657641 0.444508 O\n0.938453 0.971640 0.175495 O\n",
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{
"id": "jvasp-90337",
"created_at": "2022-09-04T14:35:50.951040Z",
"updated_at": "2022-09-04T14:35:50.951073Z",
"structure_string": "Ba1 Nd1 Co2 O5\n1.0\n-0.000000 -3.915127 0.000000\n-3.914882 0.000000 0.000000\n0.000000 0.000000 -7.515348\nBa Nd Co O\n1 1 2 5\ndirect\n0.500000 0.500000 0.500000 Ba\n0.500000 0.500000 0.000000 Nd\n0.000000 0.000000 0.759118 Co\n0.000000 0.000000 0.240882 Co\n0.500000 0.000000 0.797726 O\n0.500000 0.000000 0.202274 O\n0.000000 0.500000 0.797716 O\n0.000000 0.500000 0.202284 O\n0.000000 0.000000 0.500000 O\n",
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"formula_full": "Ba1 Nd1 Co2 O5",
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{
"id": "jvasp-48879",
"created_at": "2022-09-04T14:35:52.224430Z",
"updated_at": "2022-09-04T14:35:52.224452Z",
"structure_string": "Li1 V1 Te3 O12\n1.0\n4.966346 -0.001572 0.000982\n-0.004918 5.299546 -0.024328\n-0.006267 -0.499465 7.282438\nLi V Te O\n1 1 3 12\ndirect\n0.501089 0.933752 0.795818 Li\n0.002835 0.004755 0.019924 V\n0.505156 0.495972 0.998552 Te\n0.007049 0.003209 0.504397 Te\n0.498734 0.499096 0.492991 Te\n0.690061 0.188255 0.933897 O\n0.818969 0.322566 0.568647 O\n0.184961 0.307619 0.057511 O\n0.646261 0.509348 0.248536 O\n0.361931 0.515977 0.744354 O\n0.178609 0.681787 0.420243 O\n0.877852 0.005537 0.248507 O\n0.298641 0.814198 0.048825 O\n0.134292 0.004972 0.746601 O\n0.324185 0.181459 0.420124 O\n0.794485 0.714616 0.932170 O\n0.674886 0.824483 0.565103 O\n",
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{
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"created_at": "2022-09-04T14:35:47.851278Z",
"updated_at": "2022-09-04T14:35:47.851307Z",
"structure_string": "Li2 Ti1 Co1 O4\n1.0\n-5.122958 0.154892 0.000000\n-1.510085 2.414483 2.847821\n-1.510085 2.414483 -2.847821\nLi Ti Co O\n2 1 1 4\ndirect\n0.500000 0.749999 0.249999 Li\n-0.000001 0.499999 0.499999 Li\n0.500000 0.249999 0.749999 Ti\n0.000000 0.000000 0.000000 Co\n0.965745 0.017128 0.517128 O\n0.503056 0.748471 0.748471 O\n0.496943 0.251528 0.251528 O\n0.034255 0.482870 0.982870 O\n",
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{
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"created_at": "2022-09-04T14:35:53.741418Z",
"updated_at": "2022-09-04T14:35:53.741446Z",
"structure_string": "K1 Na1 B2 H8\n1.0\n4.309751 -0.002757 6.462673\n1.955188 3.840727 6.462673\n-0.004500 -0.002757 7.767888\nK Na B H\n1 1 2 8\ndirect\n0.352892 0.352892 0.352892 K\n0.857091 0.857089 0.857090 Na\n0.592954 0.592953 0.592953 B\n0.102764 0.102764 0.102764 B\n0.374669 0.858742 0.128120 H\n0.537188 0.537187 0.537187 H\n0.858742 0.128120 0.374669 H\n0.758998 0.316112 0.761152 H\n0.128121 0.374669 0.858742 H\n0.046698 0.046698 0.046698 H\n0.316113 0.761151 0.758997 H\n0.761152 0.758997 0.316112 H\n",
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"volume": 128.77416585821535,
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{
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"created_at": "2022-09-04T14:35:50.606295Z",
"updated_at": "2022-09-04T14:35:50.606327Z",
"structure_string": "Sr4 Zn4 Se8 O24\n1.0\n4.450386 0.055130 0.000000\n-0.744941 9.253571 0.000000\n0.000000 0.000000 15.151905\nSr Zn Se O\n4 4 8 24\ndirect\n0.253337 0.533028 0.882540 Sr\n0.753338 0.033028 0.617460 Sr\n0.746664 0.466972 0.117460 Sr\n0.246664 0.966972 0.382540 Sr\n0.268279 0.787840 0.142161 Zn\n0.768279 0.287840 0.357839 Zn\n0.231722 0.712160 0.642161 Zn\n0.731722 0.212160 0.857840 Zn\n0.193110 0.573265 0.302232 Se\n0.245927 0.287590 0.504896 Se\n0.745927 0.787590 0.995104 Se\n0.754074 0.712410 0.495104 Se\n0.693111 0.073265 0.197768 Se\n0.254074 0.212410 0.004896 Se\n0.806891 0.426735 0.697769 Se\n0.306890 0.926735 0.802232 Se\n0.229653 0.390371 0.035866 O\n0.823098 0.771862 0.108204 O\n0.956550 0.266056 0.684127 O\n0.323098 0.271862 0.391797 O\n0.176903 0.228138 0.891797 O\n0.633202 0.040394 0.786889 O\n0.860421 0.292424 0.489593 O\n0.139581 0.707576 0.510407 O\n0.709199 0.413117 0.810694 O\n0.790803 0.086883 0.310693 O\n0.866799 0.459606 0.286889 O\n0.366799 0.959606 0.213112 O\n0.676904 0.728138 0.608204 O\n0.270348 0.109629 0.535866 O\n0.770349 0.609629 0.964135 O\n0.543452 0.233944 0.184127 O\n0.729653 0.890371 0.464134 O\n0.209198 0.913117 0.689307 O\n0.133202 0.540394 0.713112 O\n0.360420 0.792424 0.010407 O\n0.456550 0.766056 0.815873 O\n0.290803 0.586883 0.189307 O\n0.639581 0.207576 0.989594 O\n0.043451 0.733944 0.315873 O\n",
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{
"id": "jvasp-48323",
"created_at": "2022-09-04T14:35:58.472154Z",
"updated_at": "2022-09-04T14:35:58.472178Z",
"structure_string": "Li10 Mn2 O6 F2\n1.0\n-1.850615 -4.577430 -4.255016\n-1.850615 4.577430 -4.255016\n3.757380 0.000000 -2.859945\nLi Mn O F\n10 2 6 2\ndirect\n0.961501 0.545720 0.243199 Li\n0.456979 0.052953 0.753343 Li\n0.197048 0.793021 0.496659 Li\n0.793021 0.197048 0.496659 Li\n0.769498 0.769498 0.727542 Li\n0.052953 0.456979 0.753343 Li\n0.545720 0.961501 0.243199 Li\n0.288499 0.704280 0.006804 Li\n0.704280 0.288499 0.006804 Li\n0.480502 0.480502 0.522461 Li\n0.256461 0.256461 0.248740 Mn\n-0.006461 -0.006461 0.001261 Mn\n0.981133 0.268867 0.125002 O\n0.268867 0.981133 0.125002 O\n0.223536 0.518411 0.373995 O\n0.518411 0.223536 0.373995 O\n0.731589 0.026464 0.876007 O\n0.026464 0.731589 0.876007 O\n0.772998 0.477002 0.625002 F\n0.477002 0.772998 0.625002 F\n",
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],
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}
]
}