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{
"id": "jvasp-101090",
"created_at": "2022-09-04T14:36:45.753031Z",
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"structure_string": "Ti2 Nb2 Al2 C2\n1.0\n3.102280 0.000000 0.000000\n-1.551140 2.686654 0.000000\n-0.000000 -0.000000 13.830923\nTi Nb Al C\n2 2 2 2\ndirect\n0.666666 0.333333 0.917477 Ti\n0.333333 0.666666 0.082523 Ti\n0.333333 0.666666 0.408632 Nb\n0.666666 0.333333 0.591368 Nb\n0.333333 0.666666 0.754869 Al\n0.666666 0.333333 0.245131 Al\n0.000000 0.000000 0.500000 C\n0.000000 0.000000 0.000000 C\n",
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{
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"structure_string": "Sm1 B2 Rh2 C1\n1.0\n3.621527 0.000000 -1.266708\n-0.443060 3.594322 -1.266708\n0.003773 0.004267 5.821125\nSm B Rh C\n1 2 2 1\ndirect\n0.000000 0.000000 0.000000 Sm\n0.644718 0.644717 0.289435 B\n0.355282 0.355283 0.710565 B\n0.750000 0.250000 0.500000 Rh\n0.250000 0.750000 0.500000 Rh\n0.500000 0.500000 -0.000000 C\n",
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{
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"structure_string": "Pr2 Mn3 Co1 Ge4\n1.0\n4.034593 0.000000 0.000000\n0.000000 4.034593 0.000000\n-0.000000 -0.000000 10.792439\nPr Mn Co Ge\n2 3 1 4\ndirect\n0.000000 0.000000 0.004076 Pr\n0.500000 0.500000 0.495924 Pr\n0.500000 0.000000 0.750000 Mn\n0.500000 0.000000 0.250000 Mn\n-0.000000 0.500000 0.750000 Mn\n-0.000000 0.500000 0.250000 Co\n0.500000 0.500000 0.130190 Ge\n0.000000 0.000000 0.624252 Ge\n0.000000 0.000000 0.369810 Ge\n0.500000 0.500000 0.875748 Ge\n",
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"formula_full": "Pr2 Mn3 Co1 Ge4",
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{
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"updated_at": "2022-09-04T14:35:49.498895Z",
"structure_string": "Y2 Zn2 P2 O2\n1.0\n3.830503 0.002264 9.670580\n1.847345 3.355603 9.670580\n0.003828 0.002264 10.401579\nY Zn P O\n2 2 2 2\ndirect\n0.620416 0.620414 0.620418 Y\n0.379584 0.379582 0.379585 Y\n0.803513 0.803510 0.803516 Zn\n0.196487 0.196486 0.196488 Zn\n0.111402 0.111402 0.111403 P\n0.888598 0.888595 0.888601 P\n0.694609 0.694606 0.694611 O\n0.305391 0.305390 0.305392 O\n",
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"volume": 133.4871681507495,
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},
{
"id": "jvasp-43891",
"created_at": "2022-09-04T14:36:48.656159Z",
"updated_at": "2022-09-04T14:36:48.656191Z",
"structure_string": "Li4 V2 O4 F2\n1.0\n2.876808 -0.000215 -0.000047\n-1.438061 4.898386 -0.012369\n-1.438423 -1.348468 7.496421\nLi V O F\n4 2 4 2\ndirect\n0.166669 0.500003 0.833337 Li\n0.492365 0.478218 0.506507 Li\n0.840967 0.521783 0.160158 Li\n0.666665 -0.000000 0.333332 Li\n0.343183 0.014261 0.672105 V\n0.990154 0.985739 -0.005439 V\n0.755811 0.762015 0.749603 O\n0.577527 0.237985 0.917063 O\n0.903623 0.226759 0.580478 O\n0.429711 0.773237 0.086187 O\n0.082820 0.745916 0.419717 F\n0.250515 0.254077 0.246949 F\n",
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{
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"structure_string": "B4 H16 O8 F12\n1.0\n5.450083 0.000000 0.046970\n0.000000 7.260109 0.000000\n0.116340 0.000000 8.595550\nB H O F\n4 16 8 12\ndirect\n0.263625 0.305807 0.918625 B\n0.736375 0.805807 0.581375 B\n0.736375 0.694193 0.081375 B\n0.263625 0.194193 0.418625 B\n0.168277 0.936673 0.840873 H\n0.168277 0.563327 0.340873 H\n0.831722 0.063327 0.159127 H\n0.910783 0.225683 0.657817 H\n0.089217 0.725683 0.842183 H\n0.089217 0.774318 0.342183 H\n0.910783 0.274317 0.157817 H\n0.831722 0.436673 0.659127 H\n0.374845 0.739290 0.181773 H\n0.374845 0.760710 0.681773 H\n0.625154 0.260710 0.818227 H\n0.615562 0.282483 0.515193 H\n0.384437 0.782483 0.984807 H\n0.384437 0.717517 0.484807 H\n0.615562 0.217517 0.015193 H\n0.625154 0.239290 0.318228 H\n0.767502 0.308721 0.664468 O\n0.232498 0.808721 0.835532 O\n0.767502 0.191279 0.164468 O\n0.232498 0.691280 0.335532 O\n0.481991 0.772505 0.085691 O\n0.481991 0.727495 0.585691 O\n0.518008 0.227495 0.914309 O\n0.518008 0.272505 0.414309 O\n0.906348 0.841186 0.102809 F\n0.244663 0.431831 0.797070 F\n0.755337 0.931831 0.702930 F\n0.755337 0.568169 0.202930 F\n0.244663 0.068169 0.297070 F\n0.216433 0.385997 0.065163 F\n0.783567 0.885997 0.434837 F\n0.783567 0.614003 0.934837 F\n0.216433 0.114003 0.565163 F\n0.093651 0.158814 0.897191 F\n0.906348 0.658815 0.602809 F\n0.093651 0.341186 0.397191 F\n",
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"formula_full": "B4 H16 O8 F12",
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{
"id": "jvasp-104787",
"created_at": "2022-09-04T14:36:48.763451Z",
"updated_at": "2022-09-04T14:36:48.763486Z",
"structure_string": "K1 Ni1 I1 O6\n1.0\n5.022174 -0.000000 0.000000\n-2.511088 4.349330 0.000000\n-0.000000 0.000000 5.960783\nK Ni I O\n1 1 1 6\ndirect\n0.000000 0.000000 0.000000 K\n0.333333 0.666667 0.500000 Ni\n0.666666 0.333333 0.500000 I\n0.374345 0.995978 0.679821 O\n0.004022 0.378369 0.679821 O\n0.621630 0.625654 0.679821 O\n0.004022 0.625654 0.320179 O\n0.621630 0.995978 0.320179 O\n0.374346 0.378369 0.320179 O\n",
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{
"id": "jvasp-104541",
"created_at": "2022-09-04T14:36:49.096995Z",
"updated_at": "2022-09-04T14:36:49.097016Z",
"structure_string": "Rb2 Li1 Al1 F6\n1.0\n4.958634 -0.000000 2.862869\n1.652878 4.675045 2.862869\n-0.000000 -0.000000 5.725737\nRb Li Al F\n2 1 1 6\ndirect\n0.750000 0.749999 0.750001 Rb\n0.250000 0.250000 0.250000 Rb\n0.500000 0.499999 0.500001 Li\n0.000000 0.000000 0.000000 Al\n0.771355 0.228644 0.228645 F\n0.228645 0.228644 0.771356 F\n0.228645 0.771355 0.771356 F\n0.228645 0.771355 0.228645 F\n0.771355 0.228644 0.771356 F\n0.771355 0.771355 0.228646 F\n",
"nsites": 10,
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{
"id": "jvasp-104002",
"created_at": "2022-09-04T14:36:51.255872Z",
"updated_at": "2022-09-04T14:36:51.255887Z",
"structure_string": "Sn2 H8 C4 F4\n1.0\n4.301360 0.113928 0.526829\n1.627895 5.544948 1.589978\n-0.090953 -0.138611 7.186864\nSn H C F\n2 8 4 4\ndirect\n0.577490 0.622511 0.459462 Sn\n0.077490 0.122512 0.959462 Sn\n0.168221 0.462753 0.115120 H\n0.536285 0.327916 0.255191 H\n0.904442 0.205187 0.377837 H\n0.798447 0.585980 0.991927 H\n0.668222 0.962754 0.615120 H\n0.404443 0.705187 0.877836 H\n0.036283 0.827916 0.755190 H\n0.298445 0.085982 0.491926 H\n0.758113 0.364730 0.278771 C\n0.942646 0.429856 0.094220 C\n0.442649 0.929855 0.594219 C\n0.258115 0.864731 0.778771 C\n0.192203 0.856288 0.217849 F\n0.132342 0.542930 0.531197 F\n0.692202 0.356288 0.717849 F\n0.632341 0.042930 0.031197 F\n",
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{
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"structure_string": "Rb4 V2 Ag2 S8\n1.0\n5.627716 -0.000000 1.412755\n2.813858 6.658142 0.706378\n0.014091 -0.000000 11.859265\nRb V Ag S\n4 2 2 8\ndirect\n0.444134 0.750000 0.111734 Rb\n0.194133 0.250000 0.611734 Rb\n0.805868 0.750000 0.388265 Rb\n0.555868 0.250000 0.888265 Rb\n0.625001 0.750000 0.750000 V\n0.375000 0.250000 0.250000 V\n0.125000 0.750000 0.750000 Ag\n0.875001 0.250000 0.250000 Ag\n0.871765 0.553365 0.862299 S\n0.265937 0.946634 0.862299 S\n0.574872 0.553365 0.637700 S\n0.787429 0.946634 0.637700 S\n0.425130 0.446635 0.362299 S\n0.212572 0.053365 0.362299 S\n0.734064 0.053365 0.137700 S\n0.128237 0.446635 0.137701 S\n",
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{
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"created_at": "2022-09-04T14:35:56.668018Z",
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"structure_string": "Li2 Ti2 Mn2 O8\n1.0\n5.775131 -0.000000 -0.000000\n2.887566 5.059169 -0.064694\n2.887566 1.625395 4.791395\nLi Ti Mn O\n2 2 2 8\ndirect\n0.124918 0.125082 0.125082 Li\n0.875083 0.874918 0.874918 Li\n0.500001 -0.000000 0.500000 Ti\n0.500000 0.500000 0.000000 Ti\n0.000001 0.500000 0.500000 Mn\n0.500001 0.500000 0.500000 Mn\n0.260471 0.260735 0.260735 O\n0.257869 0.270736 0.713527 O\n0.257868 0.713527 0.270736 O\n0.718061 0.260735 0.260735 O\n0.281941 0.739265 0.739265 O\n0.742133 0.729264 0.286473 O\n0.742133 0.286472 0.729263 O\n0.739531 0.739265 0.739265 O\n",
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{
"id": "jvasp-106462",
"created_at": "2022-09-04T14:36:49.164106Z",
"updated_at": "2022-09-04T14:36:49.164133Z",
"structure_string": "Rb2 Sc1 Tl1 Br6\n1.0\n7.035510 -0.000000 4.061953\n2.345170 6.633142 4.061953\n-0.000000 -0.000000 8.123907\nRb Sc Tl Br\n2 1 1 6\ndirect\n0.750000 0.750000 0.750000 Rb\n0.250000 0.250000 0.250000 Rb\n0.000000 0.000000 0.000000 Sc\n0.500000 0.500000 0.500000 Tl\n0.770176 0.229824 0.229824 Br\n0.229824 0.229824 0.770176 Br\n0.229824 0.770176 0.770176 Br\n0.229824 0.770176 0.229824 Br\n0.770176 0.229824 0.770176 Br\n0.770176 0.770176 0.229823 Br\n",
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}
]
}