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{
"id": "jvasp-43584",
"created_at": "2022-09-04T14:36:10.760868Z",
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"structure_string": "Li2 Fe2 F8\n1.0\n0.000000 4.434983 0.018503\n5.479139 0.000000 0.000000\n0.000000 -0.226213 -4.967518\nLi Fe F\n2 2 8\ndirect\n0.500000 0.375432 0.750001 Li\n0.500000 0.624568 0.250000 Li\n0.000000 0.861555 0.750000 Fe\n0.000000 0.138445 0.250000 Fe\n0.223696 0.115247 0.930482 F\n0.223696 0.884753 0.430482 F\n0.251849 0.634602 0.911076 F\n0.251849 0.365398 0.411076 F\n0.748151 0.634602 0.588925 F\n0.748151 0.365398 0.088925 F\n0.776304 0.115247 0.569519 F\n0.776304 0.884753 0.069519 F\n",
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{
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"structure_string": "Li2 V2 F8\n1.0\n0.000000 4.563715 -0.072222\n5.557818 0.000000 0.000000\n0.000000 -0.237007 -5.118682\nLi V F\n2 2 8\ndirect\n0.499999 0.365942 0.750000 Li\n0.499999 0.634058 0.250000 Li\n-0.000000 0.844688 0.750000 V\n-0.000000 0.155312 0.250000 V\n0.224291 0.115893 0.918386 F\n0.224291 0.884107 0.418386 F\n0.262230 0.626235 0.912303 F\n0.262231 0.373765 0.412304 F\n0.737768 0.626235 0.587696 F\n0.737768 0.373765 0.087696 F\n0.775707 0.115893 0.581613 F\n0.775707 0.884107 0.081613 F\n",
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{
"id": "jvasp-94267",
"created_at": "2022-09-04T14:36:32.733428Z",
"updated_at": "2022-09-04T14:36:32.733464Z",
"structure_string": "Mn2 Mo2 O8\n1.0\n4.495947 0.014297 0.000000\n-0.052938 4.815760 0.000000\n0.000000 0.000000 5.503760\nMn Mo O\n2 2 8\ndirect\n-0.000000 0.250000 0.122765 Mn\n-0.000000 0.750000 0.877235 Mn\n0.500000 0.750000 0.363422 Mo\n0.500000 0.250000 0.636577 Mo\n0.750024 0.407217 0.361325 O\n0.249976 0.092783 0.361325 O\n0.249976 0.592783 0.638675 O\n0.750024 0.907217 0.638675 O\n0.764285 0.417967 0.871278 O\n0.235716 0.082034 0.871278 O\n0.235715 0.582034 0.128722 O\n0.764285 0.917967 0.128722 O\n",
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"volume": 119.1682843024412,
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"formula_full": "Mn2 Mo2 O8",
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"formula_anonymous": "ABC4",
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},
{
"id": "jvasp-99160",
"created_at": "2022-09-04T14:36:32.211697Z",
"updated_at": "2022-09-04T14:36:32.211727Z",
"structure_string": "Al4 Tl4 Br16\n1.0\n7.407741 0.000000 0.000000\n0.000000 8.221310 -2.502630\n0.000000 0.146377 13.267560\nAl Tl Br\n4 4 16\ndirect\n0.783332 0.289113 0.546677 Al\n0.216668 0.710888 0.453323 Al\n0.783332 0.710888 0.953323 Al\n0.216668 0.289112 0.046677 Al\n0.107111 0.000000 0.250000 Tl\n0.358739 0.500000 0.750000 Tl\n0.641261 0.500000 0.250000 Tl\n0.892889 0.000000 0.750000 Tl\n0.256319 0.202298 0.864971 Br\n0.733071 0.434295 0.893122 Br\n0.743681 0.202298 0.364971 Br\n0.425964 0.847023 0.377609 Br\n0.743681 0.797703 0.135030 Br\n0.071082 0.782299 0.911665 Br\n0.256319 0.797703 0.635030 Br\n0.071082 0.217702 0.588335 Br\n0.425964 0.152977 0.122391 Br\n0.266929 0.565705 0.106878 Br\n0.928918 0.782299 0.411665 Br\n0.928918 0.217702 0.088335 Br\n0.266929 0.434295 0.393122 Br\n0.574036 0.847023 0.877609 Br\n0.574036 0.152977 0.622391 Br\n0.733071 0.565706 0.606878 Br\n",
"nsites": 24,
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"elements": [
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],
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"volume": 810.7257773549607,
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{
"id": "jvasp-52479",
"created_at": "2022-09-04T14:36:17.699861Z",
"updated_at": "2022-09-04T14:36:17.699883Z",
"structure_string": "Li6 Sb2 S8\n1.0\n0.000000 6.366235 0.005239\n7.456920 0.000000 0.000000\n0.000000 -2.131222 -6.071646\nLi Sb S\n6 2 8\ndirect\n0.250000 0.612834 -0.000000 Li\n0.750000 0.387166 -0.000000 Li\n0.250000 0.382782 0.500000 Li\n0.250000 0.852354 0.500000 Li\n0.750001 0.617218 0.500000 Li\n0.750001 0.147646 0.500000 Li\n0.250000 0.139519 -0.000000 Sb\n0.750000 0.860481 -0.000000 Sb\n0.018670 0.366207 0.746364 S\n0.499601 0.112489 0.761910 S\n0.518670 0.633793 0.746364 S\n-0.000399 0.887511 0.761910 S\n0.000400 0.112489 0.238091 S\n0.481331 0.366207 0.253637 S\n0.500400 0.887511 0.238091 S\n0.981331 0.633793 0.253637 S\n",
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{
"id": "jvasp-96792",
"created_at": "2022-09-04T14:36:18.351512Z",
"updated_at": "2022-09-04T14:36:18.351538Z",
"structure_string": "K12 Na2 Au4 I2 O16\n1.0\n7.068512 0.000000 -0.371036\n0.000000 9.744818 0.000000\n0.031701 0.000000 10.115422\nK Na Au I O\n12 2 4 2 16\ndirect\n0.599493 0.664126 0.588587 K\n0.750000 0.351996 0.750000 K\n0.117324 0.820879 0.587002 K\n0.250000 0.155822 0.750000 K\n0.099493 0.335874 0.088587 K\n0.750000 0.844178 0.250000 K\n0.617324 0.179121 0.087002 K\n0.900506 0.664126 0.911412 K\n0.250000 0.648004 0.250000 K\n0.400506 0.335874 0.411412 K\n0.882675 0.179121 0.412998 K\n0.382675 0.820879 0.912998 K\n0.750000 0.505841 0.250000 Na\n0.250000 0.494159 0.750000 Na\n0.500000 0.000000 0.500000 Au\n0.000000 0.000000 0.000000 Au\n0.250000 0.044494 0.250000 Au\n0.750000 0.955506 0.750000 Au\n-0.000000 0.500000 0.500000 I\n0.500000 0.500000 -0.000000 I\n0.410156 0.336018 0.907921 O\n0.045044 0.417853 0.332055 O\n0.027233 0.944214 0.810077 O\n0.972766 0.055787 0.189922 O\n0.545044 0.582148 0.832055 O\n0.253997 0.573306 0.513012 O\n0.954955 0.582148 0.667944 O\n0.089843 0.336018 0.592079 O\n0.910156 0.663983 0.407921 O\n0.454955 0.417853 0.167944 O\n0.472767 0.944214 0.689922 O\n0.527233 0.055787 0.310077 O\n0.246002 0.573306 0.986987 O\n0.589843 0.663983 0.092079 O\n0.746002 0.426694 0.486987 O\n0.753997 0.426694 0.013012 O\n",
"nsites": 36,
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],
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},
{
"id": "jvasp-96044",
"created_at": "2022-09-04T14:36:21.418858Z",
"updated_at": "2022-09-04T14:36:21.418881Z",
"structure_string": "Cd2 W2 O8\n1.0\n5.071157 0.012354 0.000000\n-0.118482 5.120634 0.000000\n0.000000 0.000000 5.946051\nCd W O\n2 2 8\ndirect\n0.500000 0.249999 0.693187 Cd\n0.500001 0.749999 0.306813 Cd\n0.000000 0.250000 0.177732 W\n0.000000 0.749999 0.822268 W\n0.757577 0.115337 0.370390 O\n0.242424 0.384662 0.370390 O\n0.242424 0.884662 0.629610 O\n0.757577 0.615336 0.629610 O\n0.798626 0.051773 0.904412 O\n0.201374 0.448226 0.904412 O\n0.201375 0.948225 0.095588 O\n0.798626 0.551773 0.095588 O\n",
"nsites": 12,
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"elements": [
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},
{
"id": "jvasp-91349",
"created_at": "2022-09-04T14:36:22.410451Z",
"updated_at": "2022-09-04T14:36:22.410468Z",
"structure_string": "K6 Au2 Se26\n1.0\n4.872687 0.000000 0.000000\n0.000000 13.577186 -0.971772\n0.000000 -0.050937 14.957530\nK Au Se\n6 2 26\ndirect\n0.804252 0.841483 0.724140 K\n0.804252 0.658518 0.275860 K\n0.828403 0.750000 0.000000 K\n0.171598 0.250000 0.000000 K\n0.195748 0.158518 0.275860 K\n0.195748 0.341482 0.724140 K\n0.000000 0.500000 0.500000 Au\n0.000000 -0.000000 0.500000 Au\n0.629876 0.917105 0.265181 Se\n0.683240 0.049881 0.379012 Se\n0.325431 0.917864 0.932730 Se\n0.316760 0.950119 0.620988 Se\n0.316760 0.549881 0.379012 Se\n0.591100 0.250000 0.500000 Se\n0.408901 0.750000 0.500000 Se\n0.108720 0.840166 0.409557 Se\n0.108720 0.659834 0.590443 Se\n0.891280 0.159834 0.590443 Se\n0.891280 0.340166 0.409557 Se\n0.692715 0.238054 0.152019 Se\n0.692715 0.261946 0.847981 Se\n0.307285 0.761946 0.847981 Se\n0.307285 0.738054 0.152019 Se\n0.674570 0.082136 0.067270 Se\n0.683240 0.450119 0.620988 Se\n0.370125 0.082895 0.734819 Se\n0.325431 0.582136 0.067270 Se\n0.927220 0.960900 0.143979 Se\n0.927220 0.539100 0.856021 Se\n0.072781 0.039100 0.856021 Se\n0.072781 0.460900 0.143979 Se\n0.629876 0.582895 0.734819 Se\n0.370125 0.417105 0.265181 Se\n0.674570 0.417864 0.932730 Se\n",
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},
{
"id": "jvasp-10693",
"created_at": "2022-09-04T14:36:37.835089Z",
"updated_at": "2022-09-04T14:36:37.835102Z",
"structure_string": "K6 Sb2 O8\n1.0\n0.000000 5.742382 0.000564\n7.363319 0.000000 0.000000\n0.000000 -2.090849 -6.220342\nK Sb O\n6 2 8\ndirect\n0.250000 0.611690 0.000000 K\n0.750000 0.388310 0.000000 K\n0.750000 0.610432 0.500000 K\n0.250000 0.389568 0.500000 K\n0.750000 0.893273 0.000000 K\n0.250000 0.106727 0.000000 K\n0.250000 0.884369 0.500000 Sb\n0.750000 0.115631 0.500000 Sb\n0.005928 0.089399 0.329565 O\n0.494072 0.089399 0.670434 O\n0.432224 0.700001 0.710915 O\n0.067776 0.700001 0.289085 O\n0.567776 0.299999 0.289085 O\n0.932224 0.299999 0.710915 O\n0.994072 0.910601 0.670435 O\n0.505928 0.910601 0.329566 O\n",
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{
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"updated_at": "2022-09-04T14:36:37.558595Z",
"structure_string": "Sb12 O8 F20\n1.0\n5.895274 0.000000 0.000000\n0.000000 8.488548 -2.748442\n0.000000 0.019192 13.232797\nSb O F\n12 8 20\ndirect\n0.032138 0.250000 0.000000 Sb\n0.967861 0.750000 0.000000 Sb\n0.445368 0.118503 0.206606 Sb\n0.445368 0.381497 0.793394 Sb\n0.554631 0.881497 0.793394 Sb\n0.554631 0.618503 0.206607 Sb\n0.398265 0.250000 0.500000 Sb\n0.601734 0.750000 0.500000 Sb\n0.039335 0.416183 0.359878 Sb\n0.039335 0.083816 0.640122 Sb\n0.960664 0.583817 0.640123 Sb\n0.960664 0.916184 0.359878 Sb\n0.823177 0.928971 0.506175 O\n0.176823 0.428971 0.506175 O\n0.176823 0.071029 0.493825 O\n0.823177 0.571029 0.493825 O\n0.736282 0.787358 0.661643 O\n0.263718 0.287358 0.661643 O\n0.263718 0.212642 0.338357 O\n0.736282 0.712642 0.338357 O\n0.762928 0.434744 0.151434 F\n0.762928 0.065256 0.848566 F\n0.873427 0.726145 0.150997 F\n0.873427 0.773855 0.849003 F\n0.126572 0.273855 0.849003 F\n0.126572 0.226145 0.150997 F\n0.556342 0.975698 0.292112 F\n0.556342 0.524302 0.707888 F\n0.443657 0.024302 0.707888 F\n0.738185 0.578794 0.956897 F\n0.738185 0.921206 0.043103 F\n0.261814 0.421206 0.043103 F\n0.261814 0.078794 0.956897 F\n0.202209 0.754121 0.357353 F\n0.202209 0.745879 0.642648 F\n0.797791 0.245879 0.642648 F\n0.797791 0.254121 0.357353 F\n0.237071 0.934744 0.151434 F\n0.443657 0.475698 0.292112 F\n0.237071 0.565256 0.848566 F\n",
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},
{
"id": "jvasp-47519",
"created_at": "2022-09-04T14:36:37.628281Z",
"updated_at": "2022-09-04T14:36:37.628312Z",
"structure_string": "Fe2 Co2 O8\n1.0\n0.000000 4.143503 -0.101068\n5.303710 0.000000 0.000000\n0.000000 -0.105928 -4.753818\nFe Co O\n2 2 8\ndirect\n-0.000000 0.146592 0.250000 Fe\n-0.000000 0.853408 0.750000 Fe\n0.500000 0.642644 0.250000 Co\n0.499999 0.357356 0.750000 Co\n0.239589 0.887063 0.077592 O\n0.258104 0.386814 0.080669 O\n0.741895 0.386814 0.419332 O\n0.760410 0.887063 0.422409 O\n0.239589 0.112937 0.577592 O\n0.258104 0.613186 0.580669 O\n0.741895 0.613186 0.919332 O\n0.760410 0.112937 0.922409 O\n",
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{
"id": "jvasp-48537",
"created_at": "2022-09-04T14:36:37.443161Z",
"updated_at": "2022-09-04T14:36:37.443187Z",
"structure_string": "Li4 V2 O4 F4\n1.0\n0.000000 5.037222 0.042008\n5.745727 0.000000 0.000000\n0.000000 -1.768117 -4.729254\nLi V O F\n4 2 4 4\ndirect\n0.249999 0.143224 0.499999 Li\n0.249999 0.604690 0.499999 Li\n0.749999 0.395310 0.499999 Li\n0.749999 0.856776 0.499999 Li\n0.250000 0.903597 -0.000000 V\n0.750000 0.096403 -0.000000 V\n0.010704 0.894063 0.229837 O\n0.489295 0.894063 0.770161 O\n0.510704 0.105937 0.229837 O\n0.989295 0.105937 0.770161 O\n0.023172 0.644686 0.732925 F\n0.523172 0.355315 0.732925 F\n0.476827 0.644686 0.267074 F\n0.976826 0.355315 0.267074 F\n",
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}
]
}