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{
"id": "jvasp-46867",
"created_at": "2022-09-04T14:38:08.602573Z",
"updated_at": "2022-09-04T14:38:08.602607Z",
"structure_string": "Li3 Ni4 O4 F3\n1.0\n-0.000000 -2.041725 -2.041725\n0.000000 2.041725 -2.041725\n14.875306 0.000000 2.041725\nLi Ni O F\n3 4 4 3\ndirect\n0.496469 0.496469 0.992939 Li\n0.360674 0.360674 0.721346 Li\n0.928570 0.928570 0.857143 Li\n0.070095 0.070095 0.140189 Ni\n0.641522 0.641522 0.283047 Ni\n0.215619 0.215619 0.431238 Ni\n0.787047 0.787047 0.574096 Ni\n0.569188 0.569188 0.138379 O\n0.141681 0.141681 0.283361 O\n0.715461 0.715461 0.430926 O\n0.287954 0.287954 0.575907 O\n0.994694 0.994694 0.989392 F\n0.862446 0.862446 0.724895 F\n0.428571 0.428571 0.857143 F\n",
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{
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"structure_string": "Mn2 P2 H12 N2 O10\n1.0\n4.848584 0.000000 0.000000\n0.000000 5.746654 0.000000\n0.000000 0.000000 8.901829\nMn P H N O\n2 2 12 2 10\ndirect\n0.530861 0.500000 0.025838 Mn\n0.030861 0.000000 0.974162 Mn\n0.092914 0.500000 0.800716 P\n0.592913 0.000000 0.199285 P\n0.580535 0.137195 0.803483 H\n0.580535 0.862804 0.803483 H\n0.080536 0.637195 0.196517 H\n0.137629 0.149145 0.591914 H\n0.137629 0.850854 0.591914 H\n0.080536 0.362805 0.196517 H\n0.637629 0.649145 0.408086 H\n0.964975 0.000000 0.456590 H\n0.464975 0.500000 0.543410 H\n0.324407 0.000000 0.461458 H\n0.824406 0.500000 0.538542 H\n0.637629 0.350854 0.408086 H\n0.641670 0.500000 0.473817 N\n0.141670 0.000000 0.526183 N\n0.738584 0.216357 0.126118 O\n0.738584 0.783643 0.126118 O\n0.238585 0.283643 0.873882 O\n0.238585 0.716356 0.873882 O\n0.783288 0.500000 0.833953 O\n0.141706 0.500000 0.628662 O\n0.283289 0.000000 0.166047 O\n0.202177 0.500000 0.209135 O\n0.641706 0.000000 0.371338 O\n0.702177 0.000000 0.790865 O\n",
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"formula_full": "Mn2 P2 H12 N2 O10",
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},
{
"id": "jvasp-18399",
"created_at": "2022-09-04T14:38:13.900873Z",
"updated_at": "2022-09-04T14:38:13.900893Z",
"structure_string": "H1 Pd1\n1.0\n2.534121 0.000000 1.463076\n0.844707 2.389192 1.463076\n-0.000000 -0.000000 2.926151\nH Pd\n1 1\ndirect\n0.000000 0.000000 0.000000 H\n0.500001 0.500000 0.500001 Pd\n",
"nsites": 2,
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},
{
"id": "jvasp-18407",
"created_at": "2022-09-04T14:36:20.125924Z",
"updated_at": "2022-09-04T14:36:20.125949Z",
"structure_string": "U2 H6\n1.0\n4.138142 0.000000 -0.000000\n0.000000 4.138142 -0.000000\n-0.000000 -0.000000 4.138142\nU H\n2 6\ndirect\n0.500000 0.500000 0.500000 U\n0.000000 0.000000 0.000000 U\n0.500000 0.250000 0.000000 H\n0.500000 0.750000 0.000000 H\n0.250000 0.000000 0.500000 H\n0.750000 0.000000 0.500000 H\n0.000000 0.500000 0.250000 H\n0.000000 0.500000 0.750000 H\n",
"nsites": 8,
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},
{
"id": "jvasp-48390",
"created_at": "2022-09-04T14:35:53.228037Z",
"updated_at": "2022-09-04T14:35:53.228061Z",
"structure_string": "Li4 Co3 O3 F4\n1.0\n0.000000 -2.050558 -2.050558\n0.000000 2.050558 -2.050558\n14.741694 -0.000000 2.050558\nLi Co O F\n4 3 3 4\ndirect\n0.219370 0.219370 0.438739 Li\n0.788089 0.788089 0.576177 Li\n0.354768 0.354768 0.709538 Li\n0.923488 0.923488 0.846974 Li\n0.498458 0.498458 0.996913 Co\n0.071429 0.071429 0.142857 Co\n0.644401 0.644401 0.288800 Co\n0.995471 0.995471 0.990939 O\n0.571430 0.571430 0.142857 O\n0.147387 0.147387 0.294775 O\n0.721034 0.721034 0.442068 F\n0.287671 0.287671 0.575342 F\n0.855187 0.855187 0.710371 F\n0.421823 0.421823 0.843647 F\n",
"nsites": 14,
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"elements": [
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{
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"created_at": "2022-09-04T14:37:04.348692Z",
"updated_at": "2022-09-04T14:37:04.348708Z",
"structure_string": "Cr1 H1 O2\n1.0\n2.862219 -0.000191 3.890785\n1.276819 2.561646 3.890785\n-0.000309 -0.000191 4.830166\nCr H O\n1 1 2\ndirect\n0.002329 0.002329 0.002329 Cr\n0.513904 0.513906 0.513905 H\n0.405357 0.405358 0.405357 O\n0.591810 0.591812 0.591811 O\n",
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},
{
"id": "jvasp-36615",
"created_at": "2022-09-04T14:37:29.239312Z",
"updated_at": "2022-09-04T14:37:29.239339Z",
"structure_string": "Zn1 Si1 O3\n1.0\n3.537428 -0.000000 0.000000\n0.000000 3.537428 0.000000\n-0.000000 -0.000000 3.537428\nZn Si O\n1 1 3\ndirect\n0.000000 0.000000 0.000000 Zn\n0.500000 0.500000 0.500000 Si\n0.500000 0.500000 0.000000 O\n0.500000 0.000000 0.500000 O\n0.000000 0.500000 0.500000 O\n",
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},
{
"id": "jvasp-47387",
"created_at": "2022-09-04T14:38:04.107858Z",
"updated_at": "2022-09-04T14:38:04.107887Z",
"structure_string": "Li4 Mn2 O4 F2\n1.0\n5.022078 0.001696 0.028799\n-2.362550 4.437314 -0.017017\n-1.046657 -1.687182 4.761235\nLi Mn O F\n4 2 4 2\ndirect\n0.411749 0.570453 0.491309 Li\n0.723573 0.259718 0.491202 Li\n0.583312 0.400381 0.990560 Li\n0.234464 0.748381 0.991553 Li\n0.096761 0.885660 0.491280 Mn\n0.902810 0.080493 0.991215 Mn\n0.272334 0.120258 0.256387 O\n0.511068 0.005778 0.743315 O\n0.862339 0.710702 0.726625 O\n0.977030 0.470814 0.238697 O\n0.182855 0.345019 0.745223 F\n0.639302 0.799946 0.238227 F\n",
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{
"id": "jvasp-47127",
"created_at": "2022-09-04T14:38:06.665404Z",
"updated_at": "2022-09-04T14:38:06.665423Z",
"structure_string": "Li3 Si1 Ni3 O8\n1.0\n0.000000 5.041935 -0.020995\n5.557870 0.000000 0.000000\n0.000000 -1.879139 -4.730441\nLi Si Ni O\n3 1 3 8\ndirect\n0.000000 0.500000 0.000000 Li\n0.499999 0.756285 -0.000000 Li\n0.499999 0.243715 -0.000000 Li\n0.499999 0.000000 0.499999 Si\n-0.000000 0.753800 0.500000 Ni\n-0.000000 0.246200 0.500000 Ni\n0.499999 0.500000 0.499999 Ni\n0.728647 0.000000 0.297749 O\n0.763357 0.500000 0.280178 O\n0.716639 0.759883 0.716160 O\n0.283359 0.759883 0.283839 O\n0.716639 0.240117 0.716160 O\n0.271352 0.000000 0.702250 O\n0.236642 0.500000 0.719821 O\n0.283359 0.240117 0.283839 O\n",
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{
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"created_at": "2022-09-04T14:36:04.378933Z",
"updated_at": "2022-09-04T14:36:04.378948Z",
"structure_string": "Li8 B16 O28\n1.0\n7.836370 -0.015906 -3.129801\n-4.235905 6.965283 -2.178658\n-0.009673 0.015906 8.438262\nLi B O\n8 16 28\ndirect\n0.686508 0.681563 0.696745 Li\n0.515183 0.446745 0.260237 Li\n0.313493 0.010238 0.995055 Li\n0.484818 0.745055 -0.068437 Li\n-0.015182 0.181563 0.495055 Li\n0.015183 0.510237 0.196745 Li\n0.186508 -0.053255 0.431563 Li\n0.813493 0.245055 0.760238 Li\n0.757591 0.616707 0.038331 B\n0.742409 0.109117 0.030740 B\n0.078378 0.609118 0.866708 B\n-0.078377 0.788331 0.530740 B\n0.668132 0.885133 0.441406 B\n0.421623 0.780740 0.538331 B\n0.443728 0.385134 0.717003 B\n0.168132 0.691406 0.635134 B\n0.056273 0.191406 0.023275 B\n0.257591 0.288331 0.366708 B\n-0.056272 -0.032997 0.135134 B\n0.242410 0.280741 0.859118 B\n0.556273 0.273275 0.941406 B\n0.831869 0.467002 0.523275 B\n0.578377 0.116708 0.359118 B\n0.331869 0.773275 0.217003 B\n0.575728 0.120908 -0.019317 O\n-0.000000 -0.003336 -0.003336 O\n0.359776 0.730683 0.654955 O\n0.500000 0.246664 0.746664 O\n0.787156 0.624004 0.520261 O\n0.896256 0.233104 0.020260 O\n0.075729 0.230684 0.870908 O\n0.603744 0.586848 0.874004 O\n0.424272 0.404955 0.545180 O\n0.255730 0.339825 0.724611 O\n0.744270 0.468881 0.084095 O\n0.115214 0.834095 0.589825 O\n0.140225 0.620908 0.045180 O\n0.755729 -0.025389 0.089825 O\n0.244271 0.334095 0.218881 O\n0.712844 0.086848 0.483105 O\n0.384787 0.968881 0.224611 O\n-0.140224 0.904955 0.480684 O\n0.924272 0.795179 0.154955 O\n0.500000 0.746663 0.246664 O\n0.615214 0.839825 0.584095 O\n0.640225 0.295179 0.370908 O\n0.884787 0.474611 0.718881 O\n0.103744 0.124004 0.336848 O\n0.000001 0.496664 0.496664 O\n0.396257 0.270261 0.983105 O\n0.212845 0.733105 0.836848 O\n0.287156 0.770260 0.374004 O\n",
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"formula_full": "Li8 B16 O28",
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{
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"created_at": "2022-09-04T14:35:59.383045Z",
"updated_at": "2022-09-04T14:35:59.383069Z",
"structure_string": "Li5 Ti2 V3 O10\n1.0\n5.096644 -0.002556 -0.003528\n0.837148 4.954178 0.017052\n2.421296 2.056504 7.013964\nLi Ti V O\n5 2 3 10\ndirect\n0.497623 0.777955 0.414186 Li\n0.522506 0.597237 0.778239 Li\n0.996894 0.503586 0.501102 Li\n0.497138 0.220694 0.591165 Li\n0.473423 0.401137 0.228418 Li\n0.005002 0.895601 0.699912 Ti\n0.989866 0.109939 0.302946 Ti\n0.484408 -0.002668 0.006817 V\n0.998019 0.682054 0.095763 V\n0.996494 0.322336 0.910037 V\n0.223665 0.137990 0.456543 O\n0.237182 0.964119 0.853691 O\n0.768416 0.866042 0.548594 O\n0.732544 0.659936 0.945938 O\n0.231192 0.755705 0.248912 O\n0.237334 0.558786 0.664228 O\n0.752723 0.444141 0.343027 O\n0.758855 0.234944 0.767087 O\n0.261285 0.346322 0.056787 O\n0.754709 0.043433 0.147557 O\n",
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],
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"formula_full": "Li5 Ti2 V3 O10",
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{
"id": "jvasp-37424",
"created_at": "2022-09-04T14:35:56.311583Z",
"updated_at": "2022-09-04T14:35:56.311609Z",
"structure_string": "Ta2 Be2 O5\n1.0\n3.532678 -0.000000 -0.000000\n0.000000 3.532678 -0.000000\n0.000000 0.000000 6.381108\nTa Be O\n2 2 5\ndirect\n0.000000 0.000000 0.000000 Ta\n0.000000 0.000000 0.500000 Ta\n0.500000 0.500000 0.747477 Be\n0.500000 0.500000 0.252524 Be\n0.000000 0.500000 0.796903 O\n0.000000 0.500000 0.203097 O\n0.500000 0.500000 0.500000 O\n0.500000 0.000000 0.796903 O\n0.500000 0.000000 0.203097 O\n",
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}
]
}