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{
"id": "jvasp-20308",
"created_at": "2022-09-04T14:37:42.865873Z",
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"structure_string": "Ti4 O6\n1.0\n4.564290 0.050898 3.101500\n1.668921 4.248534 3.101500\n0.073791 0.050898 5.517844\nTi O\n4 6\ndirect\n0.346045 0.346045 0.346045 Ti\n0.153955 0.153955 0.153955 Ti\n0.653954 0.653955 0.653954 Ti\n0.846045 0.846045 0.846045 Ti\n0.562305 0.937694 0.250000 O\n0.250000 0.562305 0.937694 O\n0.937694 0.250000 0.562305 O\n0.437694 0.062306 0.749999 O\n0.750000 0.437695 0.062305 O\n0.062305 0.749999 0.437695 O\n",
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{
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"structure_string": "Li1 Ni3 O1 F5\n1.0\n4.416492 0.000002 2.565316\n-1.373024 4.621874 -2.646056\n0.002094 0.002154 5.148975\nLi Ni O F\n1 3 1 5\ndirect\n0.146978 0.430248 0.162890 Li\n0.367931 0.027182 0.329687 Ni\n0.656231 0.951126 0.623450 Ni\n0.833656 0.569698 0.878831 Ni\n0.545321 0.750376 0.258094 O\n0.061844 0.247253 0.445695 F\n0.255409 0.760636 0.929751 F\n0.760597 0.257134 0.057909 F\n0.437112 0.259062 0.753810 F\n0.934918 0.747275 0.559877 F\n",
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"volume": 105.09606720926153,
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"formula_full": "Li1 Ni3 O1 F5",
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"formula_anonymous": "ABC3D5",
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{
"id": "jvasp-99031",
"created_at": "2022-09-04T14:36:32.613596Z",
"updated_at": "2022-09-04T14:36:32.613626Z",
"structure_string": "Na6 Be8 O11\n1.0\n5.209427 0.122083 -0.489621\n-1.773062 6.033550 -1.369951\n0.155024 -0.063613 8.304359\nNa Be O\n6 8 11\ndirect\n0.032128 0.257883 0.580608 Na\n0.220684 0.387220 0.000223 Na\n0.779316 0.612779 -0.000222 Na\n0.193003 0.768899 0.782225 Na\n0.806997 0.231101 0.217775 Na\n0.967872 0.742117 0.419392 Na\n0.466584 0.735881 0.254120 Be\n0.833132 0.024493 0.848097 Be\n0.166868 0.975507 0.151904 Be\n0.523502 0.863256 0.550606 Be\n0.476498 0.136744 0.449395 Be\n0.533416 0.264119 0.745880 Be\n0.444532 0.429011 0.363562 Be\n0.555468 0.570989 0.636438 Be\n0.259288 0.171969 0.311499 O\n0.362266 0.049452 0.612549 O\n0.574345 0.524233 0.218689 O\n0.425656 0.475767 0.781311 O\n0.330796 0.611653 0.491256 O\n0.784144 0.253371 0.852215 O\n0.000000 0.000000 0.000000 O\n0.740712 0.828031 0.688501 O\n0.637734 0.950548 0.387451 O\n0.669204 0.388347 0.508745 O\n0.215856 0.746629 0.147785 O\n",
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{
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"created_at": "2022-09-04T14:37:59.019245Z",
"updated_at": "2022-09-04T14:37:59.019282Z",
"structure_string": "Mn2 O4\n1.0\n3.779019 0.000000 0.000000\n0.000000 5.860191 0.000000\n-0.000000 0.000000 2.847335\nMn O\n2 4\ndirect\n0.250000 0.664821 0.250000 Mn\n0.750000 0.335179 0.749999 Mn\n0.250000 0.415950 0.749999 O\n0.250000 0.852567 0.749999 O\n0.750000 0.147433 0.250000 O\n0.750000 0.584050 0.250000 O\n",
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{
"id": "jvasp-12054",
"created_at": "2022-09-04T14:35:45.266225Z",
"updated_at": "2022-09-04T14:35:45.266240Z",
"structure_string": "Mn3 Co1 O8\n1.0\n1.622464 -2.508041 -4.889388\n4.732270 1.397228 -2.503535\n0.000000 -2.987083 4.889388\nMn Co O\n3 1 8\ndirect\n-0.000000 0.000000 0.500000 Mn\n0.500000 -0.000000 -0.000000 Mn\n0.500000 -0.000000 0.499999 Mn\n0.000000 0.000000 0.000000 Co\n0.260771 0.212433 0.236602 O\n0.261381 0.215855 0.738618 O\n0.763397 0.212432 0.236602 O\n0.763397 0.212432 0.739228 O\n0.236602 0.787567 0.260771 O\n0.236601 0.787567 0.763397 O\n0.738618 0.784145 0.261381 O\n0.739228 0.787567 0.763397 O\n",
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"spacegroup": 166
},
{
"id": "jvasp-96050",
"created_at": "2022-09-04T14:35:44.858953Z",
"updated_at": "2022-09-04T14:35:44.858978Z",
"structure_string": "Tb4 Co4 O12\n1.0\n5.158183 0.000037 0.000031\n0.000047 5.501720 -0.000077\n-0.000233 0.000042 7.405449\nTb Co O\n4 4 12\ndirect\n0.479738 0.426744 0.750001 Tb\n0.979735 0.073255 0.250001 Tb\n0.520263 0.573257 0.249998 Tb\n0.020266 0.926745 0.749998 Tb\n0.500000 0.000000 0.500000 Co\n0.500000 0.000000 -0.000000 Co\n0.000001 0.500000 0.500000 Co\n0.000000 0.500000 -0.000000 Co\n0.692131 0.300911 0.048765 O\n0.307869 0.699090 0.951234 O\n0.598058 0.025659 0.750002 O\n0.901941 0.525660 0.749998 O\n0.807871 0.800910 0.048767 O\n0.807872 0.800913 0.451232 O\n0.307872 0.699092 0.548765 O\n0.192130 0.199090 0.951233 O\n0.192129 0.199089 0.548768 O\n0.692128 0.300908 0.451233 O\n0.401943 0.974342 0.249998 O\n0.098059 0.474341 0.250002 O\n",
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{
"id": "jvasp-36343",
"created_at": "2022-09-04T14:37:27.524334Z",
"updated_at": "2022-09-04T14:37:27.524364Z",
"structure_string": "Os1 N1\n1.0\n2.190302 2.190302 -0.000000\n2.190302 0.000000 -2.190302\n-0.000000 2.190302 -2.190302\nOs N\n1 1\ndirect\n0.000000 0.000000 0.000000 Os\n0.499999 0.499999 0.499999 N\n",
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{
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"structure_string": "Mn1 Be2 Rh1\n1.0\n0.000000 2.759574 2.759574\n2.759574 0.000000 2.759574\n2.759574 2.759574 -0.000000\nMn Be Rh\n1 2 1\ndirect\n0.250001 0.250001 0.250001 Mn\n0.499999 0.499999 0.499999 Be\n0.000000 0.000000 0.000000 Be\n0.750000 0.750000 0.750000 Rh\n",
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{
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"structure_string": "Na2 Mn2 O4\n1.0\n4.405569 0.000333 -0.003611\n-0.000336 4.405771 -0.001223\n-2.199100 -2.201930 4.333114\nNa Mn O\n2 2 4\ndirect\n0.376662 0.624250 0.251099 Na\n0.626698 0.374270 0.751143 Na\n0.876672 0.124208 0.251118 Mn\n0.126700 0.874206 0.751131 Mn\n0.906369 0.654127 0.310499 O\n0.656371 0.903953 0.810479 O\n0.347045 0.094601 0.191774 O\n0.097003 0.344773 0.691754 O\n",
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{
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"structure_string": "Cu1 Ni3 N1\n1.0\n3.745256 -0.000000 -0.000000\n-0.000000 3.745256 0.000000\n0.000000 -0.000000 3.745256\nCu Ni N\n1 3 1\ndirect\n0.000000 0.000000 0.000000 Cu\n0.000000 0.500001 0.500001 Ni\n0.500001 0.500001 0.000000 Ni\n0.500001 0.000000 0.500001 Ni\n0.500001 0.500001 0.500001 N\n",
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{
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"structure_string": "Li2 O1\n1.0\n3.273409 0.000000 -0.546342\n0.000000 3.282055 0.000000\n-1.143808 0.000000 3.124776\nLi O\n2 1\ndirect\n-0.200185 0.000000 -0.199184 Li\n0.133504 0.000000 0.465840 Li\n0.466681 0.000000 0.133344 O\n",
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}