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{
"id": "jvasp-120056",
"created_at": "2022-09-04T14:38:52.740598Z",
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"structure_string": "Sn1 C1 S1\n1.0\n4.665791 -0.000000 -0.000000\n-2.332896 4.040694 0.000000\n-0.000000 0.000000 2.821613\nSn C S\n1 1 1\ndirect\n0.666667 0.333333 0.000000 Sn\n0.000000 0.000000 0.000000 C\n0.333333 0.666666 0.000000 S\n",
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{
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"structure_string": "V4 O10\n1.0\n3.125707 0.938902 -0.000338\n1.851466 5.180735 0.000298\n0.001851 -0.002690 13.318334\nV O\n4 10\ndirect\n0.483126 0.016889 0.402615 V\n0.686472 0.813492 0.139052 V\n0.313518 0.186510 0.639073 V\n0.516883 -0.016901 0.902615 V\n0.867591 0.132391 0.880010 O\n0.132423 0.867597 0.379997 O\n0.371170 0.628790 0.136209 O\n0.628822 0.371216 0.636247 O\n0.880590 0.619392 0.909601 O\n0.119419 0.380596 0.409621 O\n0.428543 0.071452 0.041692 O\n0.571437 0.928574 0.541693 O\n0.474393 0.025602 0.240782 O\n0.525630 0.974389 0.740788 O\n",
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{
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"created_at": "2022-09-04T14:37:19.045607Z",
"updated_at": "2022-09-04T14:37:19.045627Z",
"structure_string": "Hf4 Mn4 O12\n1.0\n5.377833 -0.000000 0.000000\n-0.000000 5.551432 0.000000\n0.000000 0.000000 7.875894\nHf Mn O\n4 4 12\ndirect\n0.000000 0.500000 0.000000 Hf\n0.000000 0.500000 0.500000 Hf\n0.500000 0.000000 0.000000 Hf\n0.500000 0.000000 0.500000 Hf\n0.003188 0.961804 0.750000 Mn\n0.496812 0.461804 0.750000 Mn\n0.503187 0.538196 0.250000 Mn\n0.996812 0.038196 0.250000 Mn\n0.824843 0.819606 0.067064 O\n0.675156 0.319607 0.432936 O\n0.675156 0.319607 0.067064 O\n0.625304 0.066236 0.750000 O\n0.374695 0.933764 0.250000 O\n0.175157 0.180393 0.567064 O\n0.324843 0.680393 0.567064 O\n0.175157 0.180393 0.932935 O\n0.824843 0.819606 0.432936 O\n0.125304 0.433764 0.250000 O\n0.324843 0.680393 0.932935 O\n0.874695 0.566235 0.750000 O\n",
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"formula_full": "Hf4 Mn4 O12",
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{
"id": "jvasp-59258",
"created_at": "2022-09-04T14:38:12.769773Z",
"updated_at": "2022-09-04T14:38:12.769797Z",
"structure_string": "Sm4 Hf4 O14\n1.0\n7.499882 0.000000 0.000000\n3.749941 6.495089 -0.000000\n3.749941 2.165030 6.123628\nSm Hf O\n4 4 14\ndirect\n0.125000 0.625000 0.625000 Sm\n0.625000 0.125000 0.625000 Sm\n0.625000 0.625000 0.125000 Sm\n0.625000 0.625000 0.625000 Sm\n0.125000 0.125000 0.125000 Hf\n0.125000 0.625000 0.125000 Hf\n0.125000 0.125000 0.625000 Hf\n0.625000 0.125000 0.125000 Hf\n0.040293 0.040293 0.459707 O\n0.790293 0.790294 0.209707 O\n0.790293 0.209707 0.790294 O\n0.209706 0.790293 0.790294 O\n0.500000 0.500000 0.500000 O\n0.790293 0.209707 0.209707 O\n0.209706 0.790294 0.209707 O\n0.209706 0.209707 0.790294 O\n0.459706 0.459707 0.040293 O\n0.749999 0.750000 0.750000 O\n0.459706 0.040293 0.040293 O\n0.040293 0.459707 0.459707 O\n0.040293 0.459707 0.040293 O\n0.459706 0.040293 0.459707 O\n",
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{
"id": "jvasp-34441",
"created_at": "2022-09-04T14:38:13.067044Z",
"updated_at": "2022-09-04T14:38:13.067076Z",
"structure_string": "Cd2 C4 O8\n1.0\n0.000000 5.911163 -0.061787\n5.256133 0.000000 0.000000\n0.000000 -3.514362 -5.329300\nCd C O\n2 4 8\ndirect\n0.000000 0.000000 0.000000 Cd\n0.000000 0.500000 0.500000 Cd\n0.456412 0.877700 0.918116 C\n0.543588 0.122299 0.081885 C\n0.456412 0.622299 0.418116 C\n0.543588 0.377701 0.581885 C\n0.373575 0.267209 0.610763 O\n0.214340 0.696735 0.322916 O\n0.785660 0.303264 0.677085 O\n0.214341 0.803264 0.822916 O\n0.626425 0.732790 0.389237 O\n0.626425 0.767209 0.889237 O\n0.785660 0.196736 0.177085 O\n0.373575 0.232790 0.110763 O\n",
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{
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"created_at": "2022-09-04T14:35:45.025281Z",
"updated_at": "2022-09-04T14:35:45.025307Z",
"structure_string": "Sr2 Sc2 B4 O11\n1.0\n5.114013 0.007506 0.055097\n1.594798 5.973182 1.327391\n-0.011479 0.034242 7.290310\nSr Sc B O\n2 2 4 11\ndirect\n0.774906 0.805763 0.836242 Sr\n0.225093 0.194236 0.163758 Sr\n0.813594 0.718208 0.352222 Sc\n0.186406 0.281792 0.647779 Sc\n0.277944 0.779573 0.608064 B\n0.647968 0.343096 0.898870 B\n0.352032 0.656904 0.101130 B\n0.722056 0.220427 0.391936 B\n0.910690 0.341899 0.867206 O\n0.175485 0.946857 0.706095 O\n0.889806 0.355758 0.420497 O\n0.489705 0.796203 0.151186 O\n0.089310 0.658100 0.132794 O\n0.538393 0.743540 0.555553 O\n0.461607 0.256460 0.444447 O\n0.824515 0.053143 0.293906 O\n0.110193 0.644242 0.579504 O\n0.500000 0.500000 0.000000 O\n0.510294 0.203797 0.848814 O\n",
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],
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"density_atomic": 0.08543797396076973,
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"formula_full": "Sr2 Sc2 B4 O11",
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{
"id": "jvasp-105141",
"created_at": "2022-09-04T14:36:56.264127Z",
"updated_at": "2022-09-04T14:36:56.264158Z",
"structure_string": "Cr1 Co2 Ge1\n1.0\n3.491374 -0.000000 2.015746\n1.163791 3.291699 2.015746\n-0.000000 -0.000000 4.031491\nCr Co Ge\n1 2 1\ndirect\n0.499999 0.500000 0.500001 Cr\n0.749999 0.750000 0.750002 Co\n0.250000 0.250000 0.250001 Co\n0.000000 0.000000 0.000000 Ge\n",
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},
{
"id": "jvasp-23739",
"created_at": "2022-09-04T14:37:40.894380Z",
"updated_at": "2022-09-04T14:37:40.894389Z",
"structure_string": "Zr4 In2 Co4\n1.0\n7.190399 0.000000 0.000000\n0.000000 7.190399 0.000000\n0.000000 -0.000000 3.293388\nZr In Co\n4 2 4\ndirect\n0.668192 0.168192 0.500000 Zr\n0.168192 0.331808 0.500000 Zr\n0.831808 0.668192 0.500000 Zr\n0.331808 0.831808 0.500000 Zr\n0.000000 0.000000 0.000000 In\n0.500000 0.500000 0.000000 In\n0.373099 0.126901 0.000000 Co\n0.126901 0.626901 0.000000 Co\n0.626901 0.873099 0.000000 Co\n0.873099 0.373099 0.000000 Co\n",
"nsites": 10,
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"elements": [
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{
"id": "jvasp-113226",
"created_at": "2022-09-04T14:38:48.294703Z",
"updated_at": "2022-09-04T14:38:48.294735Z",
"structure_string": "Li4 Cr2 P4 H3 O16\n1.0\n4.867442 0.018344 0.150473\n1.838870 7.350657 0.069131\n-0.009702 -0.021248 8.196049\nLi Cr P H O\n4 2 4 3 16\ndirect\n0.119677 0.324919 0.346412 Li\n0.391840 0.151069 0.875489 Li\n0.598380 0.839511 0.119761 Li\n0.887819 0.680277 0.642184 Li\n0.006501 0.500903 0.994262 Cr\n0.494854 0.002428 0.496650 Cr\n0.631392 0.240823 0.152670 P\n0.879208 0.251358 0.668288 P\n0.112660 0.746625 0.328884 P\n0.374429 0.766148 0.842751 P\n0.965726 0.012137 0.009974 H\n0.444207 0.513648 0.428223 H\n0.536409 0.498645 0.654454 H\n0.655219 0.143477 0.691710 O\n0.855348 0.350456 0.173579 O\n0.716721 0.451354 0.592483 O\n0.626739 0.657399 0.941471 O\n0.480616 0.811938 0.671303 O\n0.757238 0.053406 0.060199 O\n0.351639 0.842970 0.308612 O\n0.991241 0.700329 0.169917 O\n0.517925 0.192578 0.319720 O\n0.389829 0.340907 0.044721 O\n0.236962 0.549063 0.416437 O\n0.166142 0.642645 0.814584 O\n0.006710 0.296061 0.825979 O\n0.103242 0.175454 0.535206 O\n0.246780 0.941602 0.940185 O\n0.883430 0.839961 0.453786 O\n",
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{
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"created_at": "2022-09-04T14:37:07.827817Z",
"updated_at": "2022-09-04T14:37:07.827832Z",
"structure_string": "Li1 Ti1 V2 O6\n1.0\n-2.954347 0.001407 -0.002180\n-0.003202 -5.817491 0.060211\n1.473629 1.357501 6.046045\nLi Ti V O\n1 1 2 6\ndirect\n0.670368 0.836149 0.340163 Li\n0.351511 0.632131 0.703070 Ti\n0.989775 0.036475 0.979626 V\n0.659764 0.334137 0.319613 V\n0.499917 0.796537 -0.000151 O\n0.827479 0.415887 0.654997 O\n0.152271 0.097373 0.304567 O\n0.838481 0.869280 0.677047 O\n0.179312 0.568405 0.358723 O\n0.497190 0.251601 -0.005525 O\n",
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{
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"created_at": "2022-09-04T14:35:59.865848Z",
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"structure_string": "Mn2 N2\n1.0\n2.623193 0.003372 0.008625\n-0.003825 2.666910 0.130168\n-0.016925 -0.254730 5.193184\nMn N\n2 2\ndirect\n0.499089 0.876305 0.059532 Mn\n0.499028 0.376218 0.638883 Mn\n0.499225 0.876100 0.404023 N\n0.999017 0.376239 0.926889 N\n",
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{
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"created_at": "2022-09-04T14:36:11.871012Z",
"updated_at": "2022-09-04T14:36:11.871031Z",
"structure_string": "Li4 Cr2 P4 H3 O16\n1.0\n4.874545 0.032141 -0.018617\n1.862644 7.374032 -0.064656\n0.235198 -0.026731 8.180973\nLi Cr P H O\n4 2 4 3 16\ndirect\n0.118849 0.323469 0.348479 Li\n0.390777 0.150697 0.876761 Li\n0.600721 0.839471 0.119096 Li\n0.888180 0.681960 0.639138 Li\n0.007171 0.500955 0.993990 Cr\n0.495246 0.003175 0.496162 Cr\n0.630207 0.239535 0.155301 P\n0.875961 0.254001 0.670670 P\n0.116135 0.744037 0.326348 P\n0.377149 0.767721 0.838889 P\n0.965404 0.010901 0.008996 H\n0.444674 0.512211 0.431750 H\n0.526937 0.498664 0.660392 H\n0.656039 0.144917 0.694582 O\n0.852045 0.348344 0.179099 O\n0.707924 0.452043 0.597171 O\n0.630597 0.660667 0.938112 O\n0.485908 0.816264 0.669570 O\n0.757185 0.052527 0.061278 O\n0.354384 0.839295 0.306495 O\n0.995080 0.697203 0.166127 O\n0.513638 0.189936 0.320561 O\n0.388771 0.340304 0.047140 O\n0.238508 0.547922 0.413029 O\n0.175947 0.642036 0.806477 O\n0.005040 0.299880 0.828772 O\n0.101340 0.178036 0.538137 O\n0.243905 0.942270 0.937664 O\n0.885172 0.839653 0.449700 O\n",
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}