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{
"id": "jvasp-111653",
"created_at": "2022-09-04T14:38:52.511987Z",
"updated_at": "2022-09-04T14:38:52.512016Z",
"structure_string": "Li7 Mn2 Co3 O12\n1.0\n2.842429 -0.017609 0.041628\n0.029392 4.977539 0.130239\n-0.205899 -0.198308 14.019817\nLi Mn Co O\n7 2 3 12\ndirect\n0.000111 0.340349 0.175585 Li\n0.499802 0.161337 0.344408 Li\n0.999824 0.993363 0.493643 Li\n0.499924 0.839266 0.657221 Li\n0.000033 0.662950 0.826690 Li\n0.500106 0.496820 0.000080 Li\n-0.000089 0.668411 0.340547 Li\n0.000082 0.000196 -0.002453 Mn\n0.500075 0.824714 0.172691 Mn\n-0.000031 0.335549 0.666599 Co\n0.500031 0.164078 0.831816 Co\n0.499922 0.504935 0.497613 Co\n0.500121 0.849414 0.918536 O\n0.500055 0.144572 0.074809 O\n0.000039 0.987605 0.239492 O\n0.499881 0.815758 0.424782 O\n-0.000090 0.638098 0.581668 O\n0.499960 0.469896 0.747903 O\n0.000014 0.306043 0.912539 O\n0.500095 0.523812 0.240663 O\n-0.000044 0.350120 0.427694 O\n0.499992 0.200988 0.590219 O\n0.000044 0.028699 0.754109 O\n0.000137 0.693027 0.083150 O\n",
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{
"id": "jvasp-54707",
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"volume": 115.78330388338824,
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"formula_full": "Tm2 H6 O6",
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{
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"created_at": "2022-09-04T14:35:52.840180Z",
"updated_at": "2022-09-04T14:35:52.840210Z",
"structure_string": "Er2 H6\n1.0\n-1.779485 -3.082923 -0.000000\n-1.779485 3.082923 0.000000\n0.000000 0.000000 -6.030119\nEr H\n2 6\ndirect\n0.666636 0.333366 0.750000 Er\n0.333366 0.666636 0.250000 Er\n0.000000 0.000000 0.500000 H\n0.000000 0.000000 0.000000 H\n0.666696 0.333307 0.097176 H\n0.333307 0.666696 0.902824 H\n0.333307 0.666696 0.597176 H\n0.666696 0.333307 0.402824 H\n",
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},
{
"id": "jvasp-36044",
"created_at": "2022-09-04T14:38:30.499606Z",
"updated_at": "2022-09-04T14:38:30.499632Z",
"structure_string": "Sm1 B12\n1.0\n4.622331 -0.000000 2.668704\n1.540777 4.357976 2.668704\n-0.000000 -0.000000 5.337408\nSm B\n1 12\ndirect\n0.000000 0.000000 0.000000 Sm\n0.162535 0.500000 0.499999 B\n0.837465 0.500000 0.499999 B\n0.500000 0.500000 0.837464 B\n0.837465 0.162535 0.499999 B\n0.500000 0.837466 0.162533 B\n0.500000 0.162535 0.837465 B\n0.500000 0.837466 0.499999 B\n0.837465 0.500000 0.162534 B\n0.162535 0.837466 0.499999 B\n0.500000 0.162535 0.500000 B\n0.162535 0.500000 0.837465 B\n0.500000 0.500000 0.162534 B\n",
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{
"id": "jvasp-29798",
"created_at": "2022-09-04T14:37:20.152611Z",
"updated_at": "2022-09-04T14:37:20.152641Z",
"structure_string": "Al4 H4 O8\n1.0\n3.703961 0.000000 0.000000\n0.000000 12.371594 0.000000\n0.000000 0.000000 2.887760\nAl H O\n4 4 8\ndirect\n0.750509 0.568167 0.270515 Al\n0.749490 0.068167 0.270515 Al\n0.249490 0.431833 0.770515 Al\n0.250509 0.931832 0.770515 Al\n0.568834 0.224478 0.770514 H\n0.931166 0.724477 0.770514 H\n0.431166 0.775522 0.270515 H\n0.068834 0.275523 0.270515 H\n0.750973 0.960436 0.770514 O\n0.749027 0.460436 0.770514 O\n0.249027 0.039564 0.270514 O\n0.250973 0.539564 0.270514 O\n0.757552 0.168872 0.770517 O\n0.742448 0.668872 0.770517 O\n0.242448 0.831127 0.270517 O\n0.257552 0.331127 0.270517 O\n",
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{
"id": "jvasp-54704",
"created_at": "2022-09-04T14:38:13.801855Z",
"updated_at": "2022-09-04T14:38:13.801867Z",
"structure_string": "Tm2 H6 O6\n1.0\n0.000000 6.209424 0.113518\n3.466048 0.000000 0.000000\n0.000000 -3.004748 -5.435139\nTm H O\n2 6 6\ndirect\n0.666635 0.750000 0.333276 Tm\n0.333364 0.250000 0.666724 Tm\n0.725017 0.750000 0.857727 H\n0.142072 0.750000 0.867233 H\n0.132794 0.750000 0.275120 H\n0.274982 0.250000 0.142273 H\n0.857927 0.250000 0.132766 H\n0.867205 0.250000 0.724880 H\n0.604461 0.750000 0.914970 O\n0.084999 0.750000 0.689496 O\n0.310549 0.750000 0.395611 O\n0.395538 0.250000 0.085029 O\n0.915000 0.250000 0.310503 O\n0.689450 0.250000 0.604389 O\n",
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"volume": 115.79369542089115,
"volume_molar": 4.9808995210369575,
"formula_full": "Tm2 H6 O6",
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{
"id": "jvasp-37957",
"created_at": "2022-09-04T14:38:02.182997Z",
"updated_at": "2022-09-04T14:38:02.183024Z",
"structure_string": "Ag1 B1 O3\n1.0\n3.458189 0.000000 0.000000\n0.000000 3.458189 -0.000000\n-0.000000 -0.000000 3.458189\nAg B O\n1 1 3\ndirect\n0.000000 0.000000 0.000000 Ag\n0.500000 0.500000 0.500000 B\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-112917",
"created_at": "2022-09-04T14:38:43.137178Z",
"updated_at": "2022-09-04T14:38:43.137206Z",
"structure_string": "Li5 Mn3 O8\n1.0\n4.805850 -0.015949 -1.432286\n-0.832904 4.848438 0.000961\n-0.008234 0.002533 5.685919\nLi Mn O\n5 3 8\ndirect\n0.494355 0.241315 0.868086 Li\n0.505646 0.758685 0.131913 Li\n0.495640 0.761523 0.618296 Li\n0.504362 0.238476 0.381704 Li\n0.000000 -0.000000 0.500001 Li\n0.000000 -0.000000 -0.000000 Mn\n0.000504 0.499567 0.256739 Mn\n-0.000503 0.500433 0.743261 Mn\n0.225471 0.861162 0.820350 O\n0.222597 0.366937 0.055572 O\n0.231113 0.392944 0.559169 O\n0.228234 0.862702 0.294278 O\n0.777405 0.633062 0.944428 O\n0.774530 0.138838 0.179650 O\n0.771767 0.137297 0.705722 O\n0.768889 0.607056 0.440831 O\n",
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"volume": 132.35713409684433,
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"formula_full": "Li5 Mn3 O8",
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},
{
"id": "jvasp-112191",
"created_at": "2022-09-04T14:38:44.105376Z",
"updated_at": "2022-09-04T14:38:44.105401Z",
"structure_string": "H20 Pb1 C12 O4\n1.0\n3.996250 -0.251134 -0.348763\n-0.481280 4.711320 -0.310853\n0.513128 1.090021 16.233324\nH Pb C O\n20 1 12 4\ndirect\n0.648471 0.486773 0.377566 H\n0.989567 0.389032 0.479233 H\n0.146031 0.280780 0.901520 H\n0.544941 0.269641 0.950954 H\n0.384374 0.496362 0.778858 H\n0.799878 0.495543 0.819067 H\n0.603351 0.690241 0.646040 H\n0.019241 0.689542 0.686391 H\n0.816522 0.865229 0.510957 H\n0.229559 0.852586 0.551448 H\n0.023702 0.013960 0.372807 H\n0.422621 -0.032937 0.414921 H\n0.292362 0.822703 0.896231 H\n0.700532 0.800755 0.938709 H\n0.511846 0.026424 0.759471 H\n0.929423 0.026547 0.799307 H\n0.743242 0.219014 0.620674 H\n0.160248 0.215094 0.660357 H\n0.251888 0.506775 0.327745 H\n0.403378 0.367247 0.518045 H\n0.857298 0.854120 0.151052 Pb\n0.203922 0.429473 0.024713 C\n0.347181 0.404702 0.941476 C\n0.487489 0.683779 0.900454 C\n0.596971 0.627131 0.814287 C\n0.714454 0.894734 0.765260 C\n0.818738 0.823443 0.679830 C\n0.256299 0.128895 0.404299 C\n0.038563 -0.004821 0.543170 C\n0.174499 0.241389 0.487656 C\n0.423908 0.356679 0.347044 C\n0.531445 0.229956 0.269106 C\n0.941104 0.082865 0.627781 C\n-0.021738 0.229202 0.045436 O\n0.765711 0.367403 0.229063 O\n0.388094 -0.022860 0.246572 O\n0.310514 0.651829 0.070180 O\n",
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{
"id": "jvasp-118459",
"created_at": "2022-09-04T14:38:44.863365Z",
"updated_at": "2022-09-04T14:38:44.863391Z",
"structure_string": "Li2 H1 N1\n1.0\n1.785077 1.030615 2.998664\n-1.785077 1.030615 2.998664\n0.000000 -2.061229 2.998664\nLi H N\n2 1 1\ndirect\n0.282565 0.282565 0.282566 Li\n0.747129 0.747129 0.747133 Li\n0.088827 0.088827 0.088827 H\n0.974472 0.974472 0.974477 N\n",
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{
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"structure_string": "B2 H18 C6 O6\n1.0\n6.937307 0.000000 -0.000000\n-3.468654 6.007883 0.000000\n0.000000 -0.000000 6.353983\nB H C O\n2 18 6 6\ndirect\n0.000000 0.000000 0.250000 B\n0.000000 0.000000 0.750000 B\n0.855867 0.573508 0.391659 H\n0.439433 0.511918 0.250000 H\n0.927515 0.439432 0.750000 H\n0.144134 0.426492 0.608341 H\n0.717642 0.144134 0.391659 H\n0.855867 0.573508 0.108341 H\n0.717642 0.144134 0.108341 H\n0.488082 0.927514 0.250000 H\n0.282359 0.855866 0.891658 H\n0.426492 0.282358 0.108341 H\n0.144134 0.426492 0.891658 H\n0.573508 0.717641 0.608341 H\n0.573508 0.717641 0.891658 H\n0.072486 0.560567 0.250000 H\n0.560568 0.488081 0.750000 H\n0.511919 0.072486 0.750000 H\n0.426492 0.282358 0.391659 H\n0.282359 0.855866 0.608341 H\n0.630493 0.669326 0.750000 C\n0.330674 0.961164 0.750000 C\n0.961166 0.630492 0.250000 C\n0.038835 0.369507 0.750000 C\n0.669327 0.038835 0.250000 C\n0.369507 0.330673 0.250000 C\n0.772309 0.903645 0.250000 O\n0.131336 0.227691 0.250000 O\n0.096355 0.868663 0.250000 O\n0.227691 0.096355 0.750000 O\n0.868664 0.772308 0.750000 O\n0.903646 0.131336 0.750000 O\n",
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{
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"created_at": "2022-09-04T14:36:49.136806Z",
"updated_at": "2022-09-04T14:36:49.136836Z",
"structure_string": "Li2 Co1 Ni1 O4\n1.0\n4.846799 0.003106 0.888545\n4.010915 2.721035 0.888545\n-0.103624 -0.031869 5.004053\nLi Co Ni O\n2 1 1 4\ndirect\n0.748865 0.748863 0.745572 Li\n0.251137 0.251136 0.254429 Li\n0.500001 0.500000 0.500000 Co\n0.000000 0.000000 0.000000 Ni\n0.609598 0.609597 0.139135 O\n0.112586 0.112585 0.616754 O\n0.887417 0.887415 0.383247 O\n0.390404 0.390402 0.860866 O\n",
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],
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}
]
}