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{
"id": "jvasp-103894",
"created_at": "2022-09-04T14:36:56.544669Z",
"updated_at": "2022-09-04T14:36:56.544689Z",
"structure_string": "Ca2 H4 C6 O8\n1.0\n3.755316 -0.020138 -0.232742\n-1.831304 6.037505 -0.441183\n0.393861 -0.437910 9.899662\nCa H C O\n2 4 6 8\ndirect\n0.439631 0.848903 0.495811 Ca\n0.939618 0.848880 0.995810 Ca\n0.621422 0.338776 0.844994 H\n0.121355 0.338771 0.344988 H\n0.643647 0.354289 0.663488 H\n0.143577 0.354302 0.163485 H\n0.970112 0.346670 0.251061 C\n0.470181 0.346668 0.751064 C\n0.637074 0.137074 0.224628 C\n0.844678 0.557320 0.266700 C\n0.344737 0.557316 0.766695 C\n0.137130 0.137075 0.724636 C\n0.262427 0.628138 0.661042 O\n0.328886 0.650079 0.888671 O\n0.828887 0.650091 0.388681 O\n0.039753 0.051860 0.599634 O\n0.539737 0.051849 0.099625 O\n0.971882 0.059661 0.824444 O\n0.471799 0.059661 0.324432 O\n0.762324 0.628139 0.161052 O\n",
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{
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"structure_string": "H12 Os1 N5 Cl3 O1\n1.0\n6.173289 0.034936 -2.653293\n-3.504761 5.556220 -1.412713\n0.022037 -0.034936 6.719299\nH Os N Cl O\n12 1 5 3 1\ndirect\n0.465277 0.132592 0.132592 H\n0.160190 0.394045 0.910763 H\n0.839811 0.750574 0.233857 H\n0.516718 0.910763 0.750574 H\n0.160190 0.910763 0.394046 H\n0.839811 0.233856 0.750574 H\n0.483283 0.233856 0.394046 H\n0.516718 0.750573 0.910764 H\n0.534723 0.667315 0.667316 H\n0.000000 0.667315 0.132592 H\n0.000000 0.132591 0.667315 H\n0.483283 0.394046 0.233857 H\n0.000000 0.029671 0.029671 Os\n0.000000 0.238108 0.238108 N\n0.591536 0.812595 0.812596 N\n0.000000 0.812595 0.221059 N\n0.000000 0.221058 0.812595 N\n0.408464 0.221059 0.221059 N\n0.000000 0.751146 0.751147 Cl\n0.500000 0.750702 0.250702 Cl\n0.500000 0.250701 0.750702 Cl\n0.000000 0.378869 0.378869 O\n",
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],
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"formula_full": "H12 Os1 N5 Cl3 O1",
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{
"id": "jvasp-119361",
"created_at": "2022-09-04T14:38:50.765613Z",
"updated_at": "2022-09-04T14:38:50.765640Z",
"structure_string": "Mn9 Cd1 O10\n1.0\n8.326968 -0.015726 0.898087\n-6.732119 4.900736 0.898087\n-0.007796 -0.023878 5.443738\nMn Cd O\n9 1 10\ndirect\n0.298386 0.701614 0.500001 Mn\n0.601717 0.398283 0.000001 Mn\n0.101865 0.898135 0.500001 Mn\n0.398283 0.601717 0.000001 Mn\n0.202136 0.797864 0.000000 Mn\n0.701613 0.298386 0.500001 Mn\n0.898134 0.101864 0.500001 Mn\n0.797864 0.202136 0.000001 Mn\n0.000000 0.000000 0.000000 Mn\n0.500000 0.500000 0.500001 Cd\n0.346970 0.135782 0.758051 O\n0.548277 0.947481 0.748518 O\n0.947480 0.548276 0.748518 O\n0.135782 0.346970 0.758051 O\n0.451723 0.052519 0.251484 O\n0.237302 0.237303 0.236745 O\n0.762697 0.762697 0.763257 O\n0.864217 0.653029 0.241950 O\n0.052519 0.451723 0.251484 O\n0.653030 0.864217 0.241950 O\n",
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{
"id": "jvasp-101893",
"created_at": "2022-09-04T14:36:57.417764Z",
"updated_at": "2022-09-04T14:36:57.417784Z",
"structure_string": "Ca2 H4 C6 O8\n1.0\n4.204001 0.158499 -0.391928\n-0.319538 6.266547 -0.345303\n0.532348 0.217745 7.548141\nCa H C O\n2 4 6 8\ndirect\n0.945729 0.194672 0.505046 Ca\n0.945728 0.194672 0.005047 Ca\n0.235687 0.738989 0.856255 H\n0.235683 0.738988 0.356253 H\n0.236308 0.645772 0.639457 H\n0.236310 0.645770 0.139454 H\n0.395339 0.692448 0.250197 C\n0.395338 0.692449 0.750198 C\n0.567841 0.893212 0.202059 C\n0.565394 0.492635 0.302589 C\n0.565393 0.492636 0.802588 C\n0.567840 0.893211 0.702059 C\n0.431697 0.373931 0.913269 O\n0.828240 0.438584 0.734734 O\n0.828241 0.438584 0.234733 O\n0.432997 0.011926 0.589762 O\n0.432995 0.011927 0.089764 O\n0.833216 0.947984 0.774614 O\n0.833216 0.947983 0.274614 O\n0.431697 0.373931 0.413270 O\n",
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{
"id": "jvasp-92557",
"created_at": "2022-09-04T14:36:13.548807Z",
"updated_at": "2022-09-04T14:36:13.548825Z",
"structure_string": "Y1 Si2 Ir2\n1.0\n4.163717 0.000000 0.000000\n0.000000 4.163717 0.000000\n-2.081858 -2.081858 5.040673\nY Si Ir\n1 2 2\ndirect\n0.000000 0.000000 0.000000 Y\n0.250000 0.750000 0.500000 Si\n0.750000 0.250000 0.500000 Si\n0.629509 0.629509 0.259017 Ir\n0.370491 0.370491 0.740982 Ir\n",
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"spacegroup": 139
},
{
"id": "jvasp-15387",
"created_at": "2022-09-04T14:36:59.092107Z",
"updated_at": "2022-09-04T14:36:59.092128Z",
"structure_string": "Th1 Mn2 Si2\n1.0\n3.768033 -0.000000 -1.350943\n-0.484350 3.736774 -1.350943\n-0.000251 -0.000286 5.929646\nTh Mn Si\n1 2 2\ndirect\n0.000000 0.000000 0.000000 Th\n0.250000 0.749999 0.500000 Mn\n0.750000 0.249999 0.500000 Mn\n0.374485 0.374484 0.748971 Si\n0.625514 0.625514 0.251030 Si\n",
"nsites": 5,
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{
"id": "jvasp-45893",
"created_at": "2022-09-04T14:36:53.074352Z",
"updated_at": "2022-09-04T14:36:53.074383Z",
"structure_string": "Mn9 Cd1 O10\n1.0\n-4.459638 2.237075 2.237075\n2.229856 -4.485015 6.722165\n4.459712 2.237150 2.237150\nMn Cd O\n9 1 10\ndirect\n0.500001 0.397154 0.301424 Mn\n0.000000 0.002951 0.998525 Mn\n0.500001 0.003182 0.498409 Mn\n-0.000000 0.597049 0.201475 Mn\n0.000000 0.203845 0.398077 Mn\n0.500001 0.202846 0.898577 Mn\n0.500001 0.596817 0.701592 Mn\n0.000000 0.396154 0.801923 Mn\n-0.000000 0.799999 0.600000 Mn\n0.500000 0.799999 0.100001 Cd\n0.757891 0.010777 0.253017 O\n0.748476 0.401039 0.051575 O\n0.748477 0.198961 0.652614 O\n0.757891 0.589222 0.463795 O\n0.251525 0.198961 0.148426 O\n0.237420 0.799999 0.362022 O\n0.762581 0.799999 0.837980 O\n0.242110 0.010777 0.736206 O\n0.251525 0.401039 0.547387 O\n0.242110 0.589222 0.946984 O\n",
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{
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"created_at": "2022-09-04T14:37:56.568678Z",
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"structure_string": "Pa1 Fe3\n1.0\n3.845968 0.000000 0.000000\n0.000000 3.845968 0.000000\n0.000000 -0.000000 3.845770\nPa Fe\n1 3\ndirect\n0.000000 0.000000 0.000000 Pa\n0.500000 0.500000 -0.000000 Fe\n0.000000 0.500000 0.500000 Fe\n0.500000 0.000000 0.500000 Fe\n",
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{
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"created_at": "2022-09-04T14:38:04.434564Z",
"updated_at": "2022-09-04T14:38:04.434600Z",
"structure_string": "Nb2 C2\n1.0\n1.581854 -2.739852 0.000000\n1.581854 2.739852 0.000000\n-0.000000 0.000000 5.593568\nNb C\n2 2\ndirect\n0.000000 0.000000 0.500000 Nb\n0.000000 0.000000 0.000000 Nb\n0.333332 0.666666 0.250000 C\n0.666666 0.333332 0.750000 C\n",
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{
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"structure_string": "Sr4 Mg4 P12 N20 O8\n1.0\n6.143602 0.000000 -3.312996\n0.000000 6.656926 0.000000\n-0.007196 0.000000 13.948888\nSr Mg P N O\n4 4 12 20 8\ndirect\n0.482291 0.250972 0.604175 Sr\n0.517708 0.750972 0.895825 Sr\n0.517708 0.749029 0.395825 Sr\n0.482291 0.249029 0.104175 Sr\n0.020535 0.493106 0.885133 Mg\n0.979464 0.993107 0.614867 Mg\n0.979464 0.506894 0.114867 Mg\n0.020535 0.006894 0.385133 Mg\n0.276315 0.259812 0.289098 P\n0.723684 0.759812 0.210902 P\n0.723684 0.740189 0.710902 P\n0.276315 0.240189 0.789098 P\n0.259893 0.776176 0.089784 P\n0.740106 0.276176 0.410216 P\n0.259893 0.723825 0.589784 P\n0.064859 0.517234 0.380750 P\n0.935140 0.017233 0.119249 P\n0.935140 0.482767 0.619249 P\n0.064859 0.982767 0.880750 P\n0.740106 0.223825 0.910216 P\n0.178412 0.477110 0.303221 N\n0.728263 0.080855 0.001693 N\n0.271736 0.580855 0.498306 N\n0.271736 0.919146 0.998306 N\n0.728263 0.419146 0.501693 N\n0.513753 0.298401 0.297287 N\n0.486247 0.798401 0.202713 N\n0.486246 0.701600 0.702713 N\n0.513752 0.201599 0.797287 N\n0.821587 0.977110 0.196779 N\n0.052613 0.811463 0.111379 N\n0.178412 0.022891 0.803221 N\n0.821587 0.522891 0.696779 N\n0.947386 0.188537 0.888621 N\n0.947386 0.311463 0.388621 N\n0.052613 0.688538 0.611379 N\n0.893885 0.794772 0.838803 N\n0.893886 0.705229 0.338803 N\n0.106114 0.205228 0.161197 N\n0.106113 0.294772 0.661197 N\n0.711196 0.592168 0.129088 O\n0.221119 0.949595 0.550173 O\n0.778879 0.449595 0.949827 O\n0.778880 0.050406 0.449827 O\n0.221120 0.550406 0.050173 O\n0.288803 0.407833 0.870911 O\n0.711195 0.907833 0.629088 O\n0.288804 0.092168 0.370911 O\n",
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{
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{
"id": "jvasp-29060",
"created_at": "2022-09-04T14:37:29.483714Z",
"updated_at": "2022-09-04T14:37:29.483745Z",
"structure_string": "Mo2 W2 Se2 S6\n1.0\n3.223589 -0.000000 0.000000\n-1.611795 2.791706 -0.000261\n0.000000 -0.003110 33.814170\nMo W Se S\n2 2 2 6\ndirect\n0.333429 0.666858 0.469192 Mo\n0.666484 0.332971 0.278718 Mo\n0.333080 0.666161 0.094574 W\n0.667013 0.334025 0.660430 W\n0.666711 0.333420 0.418602 Se\n0.666810 0.333621 0.519781 Se\n0.333205 0.666413 0.324761 S\n0.333734 0.667470 0.706671 S\n0.666355 0.332711 0.048331 S\n0.666458 0.332917 0.140851 S\n0.333095 0.666194 0.232698 S\n0.333623 0.667248 0.614138 S\n",
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]
}