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{
"id": "jvasp-46669",
"created_at": "2022-09-04T14:38:04.293983Z",
"updated_at": "2022-09-04T14:38:04.293997Z",
"structure_string": "Li4 V2 C4 O12\n1.0\n0.000000 4.867408 -0.037985\n5.679691 0.000000 0.000000\n0.000000 -0.368057 -8.090020\nLi V C O\n4 2 4 12\ndirect\n0.231965 0.263952 0.547509 Li\n0.768035 0.763952 0.452492 Li\n0.731965 0.236051 0.047508 Li\n0.268035 0.736050 0.952492 Li\n0.250001 -0.000002 0.249997 V\n0.749999 0.499998 0.750003 V\n0.254073 0.209469 0.883844 C\n0.745926 0.709469 0.116156 C\n0.754073 0.290535 0.383845 C\n0.245927 0.790534 0.616155 C\n0.005522 0.751536 0.116986 O\n-0.005523 0.251536 0.883014 O\n0.899640 0.225995 0.261155 O\n0.874069 0.402690 0.508306 O\n0.625933 0.597312 0.991695 O\n0.374067 0.097312 0.008305 O\n0.505521 0.748466 0.616987 O\n0.494479 0.248467 0.383014 O\n0.399639 0.274007 0.761156 O\n0.100360 0.725995 0.738846 O\n0.600361 0.774006 0.238845 O\n0.125931 0.902690 0.491695 O\n",
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{
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"structure_string": "H1 S1 O1\n1.0\n3.528899 0.000000 -0.000000\n-1.764450 3.056116 0.000000\n0.000000 -0.000000 2.753738\nH S O\n1 1 1\ndirect\n0.000000 0.000000 0.000000 H\n0.666667 0.333333 0.000000 S\n0.333334 0.666667 0.000000 O\n",
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{
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"structure_string": "Al2 F6\n1.0\n4.724070 -0.070839 -8.270064\n0.023178 3.628855 -0.020161\n0.000187 0.030691 5.928065\nAl F\n2 6\ndirect\n0.558367 0.305707 0.038025 Al\n0.827345 0.305725 0.844473 Al\n0.192865 0.305714 0.441247 F\n0.692871 0.305711 0.941272 F\n0.830699 0.805722 0.854365 F\n0.555007 0.805712 0.028131 F\n0.915171 0.305512 0.663365 F\n0.470543 0.305927 0.219134 F\n",
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{
"id": "jvasp-94183",
"created_at": "2022-09-04T14:35:47.541272Z",
"updated_at": "2022-09-04T14:35:47.541292Z",
"structure_string": "Mg6 V1 Cu1\n1.0\n6.132823 0.020690 0.000000\n-3.048495 5.280146 0.000000\n0.000000 0.000000 4.855058\nMg V Cu\n6 1 1\ndirect\n0.661468 0.333180 0.250000 Mg\n0.661469 0.828289 0.250000 Mg\n0.325521 0.161990 0.750000 Mg\n0.325521 0.663534 0.750000 Mg\n0.851460 0.175731 0.750000 Mg\n0.845529 0.672766 0.750000 Mg\n0.160765 0.830382 0.250000 V\n0.168268 0.334133 0.250000 Cu\n",
"nsites": 8,
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{
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"created_at": "2022-09-04T14:36:11.485977Z",
"updated_at": "2022-09-04T14:36:11.486003Z",
"structure_string": "Sr5 Mg1\n1.0\n7.023165 0.000000 0.000000\n-3.511584 6.082239 -0.000000\n-0.000000 0.000000 6.549334\nSr Mg\n5 1\ndirect\n0.681052 -0.000000 0.000000 Sr\n0.000000 0.681051 0.000000 Sr\n0.318949 0.318949 0.000000 Sr\n0.333334 0.666667 0.500000 Sr\n0.666668 0.333333 0.500000 Sr\n0.000000 0.000000 0.500000 Mg\n",
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{
"id": "jvasp-120477",
"created_at": "2022-09-04T14:38:52.790918Z",
"updated_at": "2022-09-04T14:38:52.790945Z",
"structure_string": "K1 Li1 Al2 Si4 O10 F2\n1.0\n5.289807 -0.005804 0.499156\n-2.718660 4.537728 0.499156\n-0.008150 -0.014365 10.344890\nK Li Al Si O F\n1 1 2 4 10 2\ndirect\n0.000000 0.000000 0.000000 K\n0.500000 0.500000 0.500000 Li\n0.830140 0.169861 0.500000 Al\n0.169861 0.830139 0.500000 Al\n0.585721 0.248953 0.231384 Si\n0.414279 0.751047 0.768617 Si\n0.751047 0.414279 0.768617 Si\n0.248953 0.585721 0.231384 Si\n0.546233 0.546232 0.824584 O\n0.453768 0.453768 0.175417 O\n0.171460 0.537112 0.396838 O\n0.828541 0.462889 0.603163 O\n0.462889 0.828541 0.603163 O\n0.571853 0.059600 0.831700 O\n0.940401 0.428148 0.168300 O\n0.059600 0.571852 0.831701 O\n0.428148 0.940400 0.168300 O\n0.537112 0.171460 0.396838 O\n0.878498 0.878498 0.412126 F\n0.121503 0.121502 0.587875 F\n",
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"elements": [
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"F"
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"formula_full": "K1 Li1 Al2 Si4 O10 F2",
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{
"id": "jvasp-90001",
"created_at": "2022-09-04T14:36:08.837863Z",
"updated_at": "2022-09-04T14:36:08.837893Z",
"structure_string": "Co1 Cl2 O6\n1.0\n4.411220 2.415438 -3.432211\n4.411220 -2.415438 -3.432211\n0.806705 0.000000 -7.038264\nCo Cl O\n1 2 6\ndirect\n0.000000 0.000000 0.000000 Co\n0.745887 0.745887 0.159896 Cl\n0.254113 0.254113 0.840104 Cl\n0.209351 0.673259 0.251686 O\n0.673259 0.209351 0.251686 O\n0.790649 0.326740 0.748314 O\n0.326740 0.790649 0.748314 O\n0.627892 0.627892 0.752520 O\n0.372108 0.372108 0.247480 O\n",
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"formula_full": "Co1 Cl2 O6",
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{
"id": "jvasp-116572",
"created_at": "2022-09-04T14:38:42.209791Z",
"updated_at": "2022-09-04T14:38:42.209822Z",
"structure_string": "As4 H12 C2 O12\n1.0\n7.273685 -0.225141 0.000000\n-3.552788 6.350975 0.000000\n-0.000000 -0.000000 7.032647\nAs H C O\n4 12 2 12\ndirect\n0.758706 0.505008 0.035696 As\n0.505007 0.758706 0.964305 As\n0.258706 0.005008 0.464305 As\n0.005008 0.258706 0.535696 As\n0.908460 0.886770 0.626978 H\n0.408460 0.386771 0.873023 H\n0.386770 0.408461 0.126977 H\n0.245460 0.582209 0.411983 H\n0.582209 0.245461 0.588018 H\n0.886770 0.908460 0.373023 H\n0.082208 0.745460 0.911983 H\n0.957684 0.324467 0.848911 H\n0.324467 0.957684 0.151090 H\n0.457684 0.824467 0.651090 H\n0.824467 0.457685 0.348910 H\n0.745460 0.082209 0.088018 H\n0.483915 0.483915 -0.000000 C\n0.983914 0.983915 0.500000 C\n0.283608 0.764068 0.026091 O\n0.764068 0.283609 0.973910 O\n0.219446 0.432826 0.388538 O\n0.432826 0.219446 0.611462 O\n0.719445 0.932826 0.111462 O\n0.584886 0.841401 0.729992 O\n0.084886 0.341402 0.770009 O\n0.341402 0.084887 0.229991 O\n0.841401 0.584886 0.270009 O\n0.264068 0.783608 0.526091 O\n0.932825 0.719446 0.888538 O\n0.783608 0.264069 0.473910 O\n",
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"formula_full": "As4 H12 C2 O12",
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{
"id": "jvasp-54980",
"created_at": "2022-09-04T14:38:34.164807Z",
"updated_at": "2022-09-04T14:38:34.164834Z",
"structure_string": "K4 Sn2 Cl12\n1.0\n0.000000 7.015815 -0.002433\n7.077218 0.000000 0.000000\n0.000000 -6.934034 -9.977637\nK Sn Cl\n4 2 12\ndirect\n0.736389 0.545342 0.748285 K\n0.263611 0.454659 0.251715 K\n0.736389 0.954659 0.248285 K\n0.263611 0.045342 0.751715 K\n0.000000 0.500000 0.500000 Sn\n0.000000 0.000000 0.000000 Sn\n0.229838 0.717825 0.025283 Cl\n0.186952 0.001271 0.244474 Cl\n0.311947 0.206534 0.030840 Cl\n0.813048 0.998729 0.755525 Cl\n0.311947 0.293466 0.530840 Cl\n0.770161 0.217825 0.474717 Cl\n0.229839 0.782176 0.525283 Cl\n0.186952 0.498729 0.744475 Cl\n0.688053 0.793466 0.969160 Cl\n0.770162 0.282175 0.974717 Cl\n0.688053 0.706534 0.469160 Cl\n0.813048 0.501271 0.255525 Cl\n",
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{
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"structure_string": "K4 V2 Cu2 S8\n1.0\n5.273859 -0.000000 1.263569\n2.636930 6.389309 0.631785\n0.026230 -0.000000 11.528265\nK V Cu S\n4 2 2 8\ndirect\n0.445608 0.750000 0.108786 K\n0.195608 0.250000 0.608786 K\n0.804393 0.750000 0.391215 K\n0.554393 0.250000 0.891215 K\n0.375000 0.250000 0.250000 V\n0.625000 0.750000 0.750001 V\n0.125000 0.750000 0.750001 Cu\n0.875000 0.250000 0.250000 Cu\n0.101505 0.449385 0.138020 S\n0.898495 0.550615 0.861981 S\n0.239524 0.949385 0.861981 S\n0.550889 0.550615 0.638020 S\n0.188909 0.050615 0.361980 S\n0.449111 0.449385 0.361980 S\n0.760476 0.050615 0.138020 S\n0.811091 0.949385 0.638021 S\n",
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{
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"created_at": "2022-09-04T14:36:20.003450Z",
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"structure_string": "Ba1 Na1 Sr2\n1.0\n4.532913 -4.547454 0.000000\n4.532913 4.547454 0.000000\n0.000000 0.000000 4.922674\nBa Na Sr\n1 1 2\ndirect\n0.500000 0.000000 0.500000 Ba\n0.000000 0.500000 0.500000 Na\n0.000000 0.000000 0.000000 Sr\n0.500000 0.500000 0.000000 Sr\n",
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{
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"structure_string": "Cd1 H6 C5 O4\n1.0\n4.140147 -0.000645 -0.000155\n-2.069610 4.468909 -1.078181\n0.000212 -0.568755 8.065015\nCd H C O\n1 6 5 4\ndirect\n0.016795 0.494192 0.237074 Cd\n0.712220 0.372428 0.549327 H\n0.638756 0.107251 0.668134 H\n0.377650 0.610982 0.667527 H\n0.833977 0.615914 0.924800 H\n0.260779 0.377303 0.806597 H\n0.025712 0.881060 0.805974 H\n0.953210 0.067031 0.458533 C\n0.836238 0.255833 0.604555 C\n0.162227 0.494148 0.737060 C\n0.074600 0.732486 0.869560 C\n0.380415 0.921302 0.015574 C\n0.137944 0.188360 0.350689 O\n0.873940 0.791089 0.453638 O\n0.577138 0.197223 0.020446 O\n0.443792 0.799994 0.123433 O\n",
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]
}