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{
"id": "jvasp-115400",
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"structure_string": "Pd1 F3\n1.0\n4.912772 0.758892 -0.880808\n-2.469913 -3.881112 0.011285\n0.293209 1.169233 -2.984520\nPd F\n1 3\ndirect\n0.804612 0.219175 0.598482 Pd\n0.930865 0.036512 0.945026 F\n0.678363 0.401846 0.251947 F\n0.304596 0.719197 0.598523 F\n",
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{
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"structure_string": "Li1 V1 Fe4 O8\n1.0\n4.852332 0.086720 2.726726\n-3.245047 4.521842 0.101467\n-0.225106 0.003975 5.747107\nLi V Fe O\n1 1 4 8\ndirect\n0.749999 0.375001 0.875002 Li\n0.250000 0.375000 0.375001 V\n0.507981 0.738471 0.753548 Fe\n0.992017 0.011530 -0.003546 Fe\n0.249999 0.875000 0.375001 Fe\n0.749999 0.375000 0.375001 Fe\n0.263137 0.120636 0.616227 O\n0.720369 0.118878 0.160754 O\n0.725426 0.611704 0.142079 O\n0.246217 0.132496 0.142078 O\n0.236862 0.629364 0.133774 O\n0.779630 0.631123 0.589249 O\n0.774573 0.138297 0.607923 O\n0.253782 0.617504 0.607923 O\n",
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{
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"structure_string": "Mn8 O4 F12\n1.0\n5.344509 -0.040426 1.966783\n1.696824 5.068156 1.966783\n-0.071522 -0.051069 10.472092\nMn O F\n8 4 12\ndirect\n0.263744 0.263744 0.017691 Mn\n0.879491 0.367572 0.749957 Mn\n0.120509 0.632427 0.250043 Mn\n0.736256 0.736256 0.982308 Mn\n0.000000 -0.000000 0.500000 Mn\n0.500000 0.500000 0.500000 Mn\n0.367573 0.879491 0.749957 Mn\n0.632427 0.120509 0.250043 Mn\n0.667533 0.667533 0.836933 O\n0.332467 0.332467 0.163067 O\n0.076308 0.076308 0.660425 O\n0.923692 0.923692 0.339574 O\n0.440484 0.440484 0.341617 F\n0.091287 0.597058 0.597963 F\n0.189657 0.189656 0.857226 F\n0.559516 0.559516 0.658382 F\n0.810343 0.810344 0.142774 F\n0.908713 0.402942 0.402036 F\n0.145725 0.656616 0.903801 F\n0.656616 0.145725 0.903801 F\n0.597058 0.091286 0.597963 F\n0.854275 0.343384 0.096198 F\n0.343384 0.854275 0.096198 F\n0.402942 0.908713 0.402036 F\n",
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{
"id": "jvasp-111977",
"created_at": "2022-09-04T14:38:44.946471Z",
"updated_at": "2022-09-04T14:38:44.946497Z",
"structure_string": "Na4 Fe2 O6\n1.0\n5.133278 -0.001467 -0.829080\n2.773871 4.319461 0.829248\n-0.002801 0.005053 5.574242\nNa Fe O\n4 2 6\ndirect\n0.157160 0.157157 0.500003 Na\n0.842844 0.842845 0.499996 Na\n0.500002 0.500000 0.500002 Na\n-0.000000 0.000004 -0.000000 Na\n0.667252 0.667255 0.000000 Fe\n0.332747 0.332754 0.000000 Fe\n0.309454 0.690552 0.801793 O\n0.067421 0.554161 0.197195 O\n0.445839 0.932576 0.197198 O\n0.932580 0.445845 0.802806 O\n0.554161 0.067429 0.802803 O\n0.690547 0.309453 0.198208 O\n",
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"formula_full": "Na4 Fe2 O6",
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{
"id": "jvasp-113179",
"created_at": "2022-09-04T14:38:45.004921Z",
"updated_at": "2022-09-04T14:38:45.004947Z",
"structure_string": "Ba2 Mn6 O12\n1.0\n3.887730 0.000006 -0.741747\n-0.146846 5.622019 -0.769495\n0.003657 0.009122 10.577913\nBa Mn O\n2 6 12\ndirect\n0.069857 0.285061 0.139697 Ba\n0.930142 0.714942 0.860301 Ba\n0.563378 0.781879 0.126747 Mn\n0.436621 0.218123 0.873252 Mn\n0.706648 0.853595 0.413261 Mn\n0.293352 0.146404 0.586738 Mn\n0.293337 0.647633 0.586719 Mn\n0.706662 0.352366 0.413281 Mn\n0.775478 0.639556 0.550978 O\n0.224521 0.360442 0.449020 O\n0.934168 0.217446 0.868370 O\n0.065831 0.782556 0.131629 O\n0.355488 0.933391 0.711038 O\n0.499999 0.500002 -0.000000 O\n0.354848 0.423902 0.709751 O\n0.645152 0.576099 0.290250 O\n0.773690 0.135557 0.547389 O\n0.500000 0.000002 -0.000000 O\n0.644513 0.066608 0.288962 O\n0.226309 0.864442 0.452609 O\n",
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"volume": 231.2438435338833,
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{
"id": "jvasp-115254",
"created_at": "2022-09-04T14:38:45.016087Z",
"updated_at": "2022-09-04T14:38:45.016102Z",
"structure_string": "Na1 Pt1 O2\n1.0\n3.236987 -1.535919 -0.279455\n3.236987 1.535919 -0.279455\n-2.880758 0.000000 5.472862\nNa Pt O\n1 1 2\ndirect\n0.500001 0.500001 0.500001 Na\n0.000000 0.000000 0.000000 Pt\n0.336146 0.336146 0.760234 O\n0.663856 0.663856 0.239768 O\n",
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},
{
"id": "jvasp-115137",
"created_at": "2022-09-04T14:38:45.280302Z",
"updated_at": "2022-09-04T14:38:45.280346Z",
"structure_string": "In2 I1\n1.0\n6.930723 0.455227 0.194721\n1.524804 -3.934711 0.092333\n-2.872002 -1.193432 -4.114047\nIn I\n2 1\ndirect\n0.038188 0.590049 0.505439 In\n0.595728 0.305960 0.069164 In\n0.317126 -0.052131 0.287507 I\n",
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{
"id": "jvasp-117486",
"created_at": "2022-09-04T14:38:45.295746Z",
"updated_at": "2022-09-04T14:38:45.295780Z",
"structure_string": "B2 H1\n1.0\n2.231167 -0.051495 0.207267\n-0.084502 -3.574238 0.021450\n-0.911741 -1.348281 -2.639544\nB H\n2 1\ndirect\n0.356499 0.698951 0.423119 B\n0.120403 0.553121 -0.049062 B\n0.238313 0.126043 0.186894 H\n",
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{
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"created_at": "2022-09-04T14:38:45.270391Z",
"updated_at": "2022-09-04T14:38:45.270416Z",
"structure_string": "Li8 Co2 O2 F10\n1.0\n4.858402 -0.018727 -2.204937\n-2.654661 6.711814 0.000827\n0.105741 0.041283 6.483885\nLi Co O F\n8 2 2 10\ndirect\n0.725651 0.681638 0.618723 Li\n0.725651 0.181637 0.618721 Li\n0.274732 0.318877 0.383120 Li\n0.274731 0.818878 0.383121 Li\n0.670170 0.167737 0.198381 Li\n0.670171 0.667738 0.198383 Li\n0.330204 0.832782 0.803461 Li\n0.330203 0.332782 0.803459 Li\n0.000173 0.500258 0.000914 Co\n0.000172 0.000253 0.000914 Co\n0.000172 0.750256 0.000909 O\n0.000173 0.250253 0.000909 O\n0.000177 0.750265 0.500901 F\n0.000178 0.250263 0.500900 F\n0.703422 0.426059 0.122734 F\n0.703421 0.926058 0.122733 F\n0.296905 0.574448 0.879079 F\n0.296907 0.074450 0.879080 F\n0.628758 0.407405 0.678724 F\n0.628758 0.907406 0.678725 F\n0.371592 0.593104 0.323105 F\n0.371592 0.093104 0.323104 F\n",
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"structure_string": "Nb2 W2 N6\n1.0\n3.876257 -0.001666 -0.001001\n-1.936024 5.144513 -0.067346\n0.001866 0.009894 6.887332\nNb W N\n2 2 6\ndirect\n0.281631 0.063262 0.668307 Nb\n0.718371 0.936736 0.331693 Nb\n0.619530 0.739069 0.923648 W\n0.380472 0.260929 0.076351 W\n0.452306 0.404567 0.787603 N\n0.547696 0.595431 0.212397 N\n0.709191 0.918388 0.638558 N\n0.290811 0.081610 0.361442 N\n0.175601 0.851207 0.936629 N\n0.824401 0.148791 0.063370 N\n",
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{
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"created_at": "2022-09-04T14:38:45.332325Z",
"updated_at": "2022-09-04T14:38:45.332355Z",
"structure_string": "Yb2 Mo2 Cl2 O8\n1.0\n6.418967 -0.058450 1.397892\n2.776737 5.787597 1.397892\n-0.002510 -0.001564 6.883566\nYb Mo Cl O\n2 2 2 8\ndirect\n0.720960 0.720960 0.138637 Yb\n0.279041 0.279042 0.861363 Yb\n0.647032 0.647032 0.720259 Mo\n0.352969 0.352969 0.279741 Mo\n0.022889 0.022889 0.132856 Cl\n0.977111 0.977112 0.867144 Cl\n0.495503 0.890916 0.853246 O\n0.514614 0.514614 0.250190 O\n0.890915 0.495504 0.853246 O\n0.485386 0.485387 0.749810 O\n0.504497 0.109085 0.146753 O\n0.109086 0.504497 0.146753 O\n0.727970 0.727970 0.466147 O\n0.272030 0.272031 0.533853 O\n",
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{
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"created_at": "2022-09-04T14:38:45.417487Z",
"updated_at": "2022-09-04T14:38:45.417515Z",
"structure_string": "Li6 Co4 O10\n1.0\n2.827960 -0.044710 0.015091\n-1.337120 4.663075 -0.953561\n-0.067216 -0.057807 12.371083\nLi Co O\n6 4 10\ndirect\n0.399925 0.299650 0.296638 Li\n-0.000001 0.500000 0.500000 Li\n0.600074 0.700350 0.703362 Li\n0.195457 0.891157 0.909160 Li\n0.804542 0.108843 0.090840 Li\n0.500000 0.500000 0.000000 Li\n0.699994 0.899980 0.399911 Co\n0.300005 0.100021 0.600089 Co\n0.101091 0.702268 0.195119 Co\n0.898908 0.297732 0.804881 Co\n0.847229 0.194506 0.937117 O\n0.736147 0.972117 0.254332 O\n0.335699 0.171135 0.451717 O\n0.933464 0.366711 0.650957 O\n0.531240 0.562157 0.842465 O\n0.152770 0.805495 0.062883 O\n0.066535 0.633290 0.349042 O\n0.664300 0.828865 0.548282 O\n0.263852 0.027884 0.745668 O\n0.468759 0.437844 0.157534 O\n",
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"formula_full": "Li6 Co4 O10",
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}
]
}