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{
"id": "jvasp-101945",
"created_at": "2022-09-04T14:36:43.150419Z",
"updated_at": "2022-09-04T14:36:43.150439Z",
"structure_string": "Cd1 H4 C4 O4\n1.0\n3.657038 -0.078462 -0.106265\n-1.124614 4.400027 -0.270047\n0.061925 -0.053981 7.531503\nCd H C O\n1 4 4 4\ndirect\n0.362299 0.764708 0.266674 Cd\n0.588179 0.975275 0.668755 H\n0.046379 0.997546 0.747351 H\n0.678120 0.531869 0.785988 H\n0.136319 0.554133 0.864587 H\n0.031151 0.245251 0.522165 C\n0.868290 0.137405 0.696759 C\n0.856203 0.392004 0.836585 C\n0.693337 0.284179 0.011181 C\n0.960856 0.050487 0.384873 O\n0.239739 0.515452 0.518679 O\n0.484662 0.014008 0.014669 O\n0.763711 0.478940 0.148476 O\n",
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{
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"structure_string": "Li4 Mn3 Cr3 O12\n1.0\n5.194394 0.034577 -0.000005\n2.153029 4.727357 -0.000037\n1.520689 -2.346472 8.330437\nLi Mn Cr O\n4 3 3 12\ndirect\n0.169664 0.830198 0.660557 Li\n0.830200 0.169668 0.339445 Li\n0.580094 0.920001 0.839888 Li\n0.919997 0.580096 0.160112 Li\n-0.000000 0.000001 -0.000000 Mn\n0.336046 0.663974 0.327930 Mn\n0.663971 0.336048 0.672068 Mn\n0.084675 0.415317 0.830654 Cr\n0.415317 0.084674 0.169348 Cr\n0.749998 0.750000 0.500002 Cr\n0.872771 0.175980 0.831903 O\n0.781642 0.781644 0.000000 O\n0.566720 0.874372 0.326212 O\n0.525578 0.525584 0.499999 O\n0.655914 0.295321 0.168090 O\n0.218356 0.218355 0.000001 O\n0.451857 0.107098 0.673784 O\n0.175978 0.872773 0.168097 O\n0.107097 0.451859 0.326217 O\n0.874371 0.566720 0.673790 O\n0.295321 0.655916 0.831910 O\n0.974420 0.974422 0.500000 O\n",
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{
"id": "jvasp-117345",
"created_at": "2022-09-04T14:38:26.473708Z",
"updated_at": "2022-09-04T14:38:26.473718Z",
"structure_string": "Tm4 Co4 B16\n1.0\n3.361474 -0.000000 0.000000\n0.000000 5.846258 0.000000\n0.000000 -0.000000 11.322305\nTm Co B\n4 4 16\ndirect\n0.499999 0.371632 0.149908 Tm\n0.499999 0.628369 0.850091 Tm\n0.499999 0.128368 0.649908 Tm\n0.499999 0.871632 0.350092 Tm\n0.499999 0.364048 0.409912 Co\n0.499999 0.635952 0.590087 Co\n0.499999 0.135952 0.909912 Co\n0.499999 0.864048 0.090087 Co\n-0.000000 0.784766 0.684970 B\n-0.000000 0.215235 0.315030 B\n-0.000000 0.522595 0.308468 B\n-0.000000 0.477406 0.691532 B\n-0.000000 0.977406 0.808468 B\n-0.000000 0.022594 0.191532 B\n-0.000000 0.637769 0.031984 B\n-0.000000 0.611716 0.453463 B\n-0.000000 0.862232 0.531984 B\n-0.000000 0.137769 0.468016 B\n-0.000000 0.284766 0.815030 B\n-0.000000 0.388285 0.546536 B\n-0.000000 0.888285 0.953463 B\n-0.000000 0.111716 0.046537 B\n-0.000000 0.362232 0.968016 B\n-0.000000 0.715235 0.184970 B\n",
"nsites": 24,
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"elements": [
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],
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{
"id": "jvasp-37208",
"created_at": "2022-09-04T14:35:54.135265Z",
"updated_at": "2022-09-04T14:35:54.135294Z",
"structure_string": "Si1 Pd1 O3\n1.0\n3.592310 -0.000000 0.000000\n0.000000 3.592310 0.000000\n-0.000000 -0.000000 3.592310\nSi Pd O\n1 1 3\ndirect\n0.500000 0.500000 0.500000 Si\n0.000000 0.000000 0.000000 Pd\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-42743",
"created_at": "2022-09-04T14:36:00.900258Z",
"updated_at": "2022-09-04T14:36:00.900283Z",
"structure_string": "Co8 O12 F4\n1.0\n0.000000 0.000000 -5.828525\n4.477552 4.477552 0.000000\n4.263230 -4.263230 2.914262\nCo O F\n8 12 4\ndirect\n0.000507 0.973601 0.001015 Co\n0.500507 0.026399 0.001015 Co\n0.500587 -0.000000 0.501174 Co\n0.749412 0.500000 0.998826 Co\n0.249413 0.500000 0.998826 Co\n0.000588 -0.000000 0.501174 Co\n0.249493 0.473601 0.498985 Co\n0.749492 0.526399 0.498985 Co\n0.751662 0.815161 0.503324 O\n0.597421 0.500000 0.694844 O\n0.097422 0.500000 0.694844 O\n0.652578 -0.000000 0.805155 O\n0.901818 0.500000 0.303638 O\n0.152578 -0.000000 0.805155 O\n0.251662 0.184839 0.503324 O\n0.998338 0.684838 0.996676 O\n0.498338 0.315161 0.996676 O\n0.848181 -0.000000 0.196362 O\n0.348181 -0.000000 0.196362 O\n0.401818 0.500000 0.303638 O\n0.501447 0.718852 0.002896 F\n0.001448 0.281147 0.002896 F\n0.748552 0.218853 0.497104 F\n0.248552 0.781147 0.497104 F\n",
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{
"id": "jvasp-45018",
"created_at": "2022-09-04T14:38:08.295548Z",
"updated_at": "2022-09-04T14:38:08.295573Z",
"structure_string": "Li2 Fe3 Co1 O8\n1.0\n5.771315 0.099893 0.070635\n2.972167 4.948158 0.070635\n2.972167 1.715981 4.641624\nLi Fe Co O\n2 3 1 8\ndirect\n0.125019 0.125019 0.125018 Li\n0.494775 0.494774 0.494773 Li\n-0.000388 0.503300 0.503299 Fe\n0.503300 -0.000389 0.503299 Fe\n0.503300 0.503300 -0.000390 Fe\n0.879814 0.879814 0.879810 Co\n0.264039 0.264038 0.264038 O\n0.247728 0.247728 0.715186 O\n0.247728 0.715188 0.247726 O\n0.715188 0.247728 0.247726 O\n0.277610 0.747829 0.747826 O\n0.747829 0.277609 0.747826 O\n0.747829 0.747828 0.277607 O\n0.746238 0.746238 0.746235 O\n",
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"formula_full": "Li2 Fe3 Co1 O8",
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{
"id": "jvasp-107269",
"created_at": "2022-09-04T14:36:58.625352Z",
"updated_at": "2022-09-04T14:36:58.625379Z",
"structure_string": "Zn1 Ni4 O5\n1.0\n4.536301 -0.001946 2.420130\n3.562779 2.807960 2.420130\n-0.007445 -0.002579 7.271710\nZn Ni O\n1 4 5\ndirect\n0.000000 0.000000 0.000000 Zn\n0.599753 0.599751 0.596945 Ni\n0.199367 0.199366 0.202387 Ni\n0.800635 0.800632 0.797613 Ni\n0.400249 0.400247 0.403055 Ni\n0.000001 -0.000000 0.500000 O\n0.600778 0.600776 0.104853 O\n0.202484 0.202482 0.695860 O\n0.797518 0.797516 0.304140 O\n0.399225 0.399222 0.895147 O\n",
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{
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"created_at": "2022-09-04T14:37:35.880075Z",
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"structure_string": "Zn2 Si2 O6\n1.0\n-2.402275 -4.160863 -0.000000\n-4.804551 0.000000 0.000000\n-2.402275 -1.386954 -4.638711\nZn Si O\n2 2 6\ndirect\n0.630816 0.630817 0.107550 Zn\n0.369183 0.369185 0.892450 Zn\n0.839905 0.839908 0.480282 Si\n0.160094 0.160095 0.519717 Si\n0.562571 0.953658 0.284805 O\n0.198967 0.562572 0.284805 O\n0.953656 0.198969 0.284805 O\n0.437428 0.046345 0.715195 O\n0.801032 0.437431 0.715195 O\n0.046343 0.801034 0.715195 O\n",
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{
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"structure_string": "Al2 O3\n1.0\n3.033062 -0.000000 -0.000000\n-1.516531 0.875570 5.819947\n1.516531 -2.626709 0.000000\nAl O\n2 3\ndirect\n0.193004 0.579013 0.193004 Al\n0.693327 0.079984 0.693328 Al\n0.028095 0.084285 0.028095 O\n0.582084 0.746254 0.582085 O\n0.806488 0.419464 0.806489 O\n",
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{
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"structure_string": "B6 Mo2\n1.0\n2.607675 1.505541 3.149563\n-2.607675 1.505541 3.149563\n-0.000000 -3.011083 3.149563\nB Mo\n6 2\ndirect\n0.665123 0.334876 -0.000000 B\n0.334875 0.000000 0.665123 B\n0.000000 0.665123 0.334875 B\n0.665123 0.000000 0.334875 B\n0.000000 0.334875 0.665123 B\n0.334876 0.665123 -0.000000 B\n0.835005 0.835005 0.835004 Mo\n0.164994 0.164994 0.164994 Mo\n",
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{
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"structure_string": "Li1 Mg3 O4\n1.0\n4.202243 -0.000000 -0.000000\n0.000000 4.202243 -0.000000\n0.000000 0.000000 4.202243\nLi Mg O\n1 3 4\ndirect\n0.000000 0.000000 0.000000 Li\n0.000000 0.500000 0.500000 Mg\n0.500000 0.000000 0.500000 Mg\n0.500000 0.500000 0.000000 Mg\n0.500000 0.000000 0.000000 O\n0.500000 0.500000 0.500000 O\n0.000000 0.000000 0.500000 O\n0.000000 0.500000 0.000000 O\n",
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{
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"structure_string": "Mg4 H8\n1.0\n4.810839 0.000000 0.000000\n0.000000 4.810333 0.000000\n0.000000 0.000000 4.810148\nMg H\n4 8\ndirect\n0.750033 0.712742 0.000053 Mg\n0.249967 0.712742 0.500053 Mg\n0.750033 0.212742 0.499947 Mg\n0.249967 0.212742 0.999948 Mg\n0.595612 0.058385 0.154314 H\n0.095547 0.367273 0.345508 H\n0.595612 0.558385 0.345686 H\n0.904453 0.867272 0.654492 H\n0.095547 0.867272 0.154492 H\n0.404388 0.558385 0.845686 H\n0.404388 0.058385 0.654314 H\n0.904453 0.367273 0.845508 H\n",
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}
]
}