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{
"id": "jvasp-98359",
"created_at": "2022-09-04T14:38:17.753652Z",
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"structure_string": "Ba1 Al2 Si2\n1.0\n3.992864 -0.000000 -1.270942\n-0.404545 3.972318 -1.270942\n0.101912 0.112818 7.227749\nBa Al Si\n1 2 2\ndirect\n0.000000 0.000000 0.000000 Ba\n0.749999 0.250000 0.500000 Al\n0.249999 0.750001 0.500000 Al\n0.361184 0.361186 0.722371 Si\n0.638813 0.638815 0.277630 Si\n",
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{
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"structure_string": "Sm1 Mg2 Cr3 S8\n1.0\n6.386243 -0.009461 3.846197\n2.178858 6.003619 3.844052\n-0.004288 -0.001525 7.454615\nSm Mg Cr S\n1 2 3 8\ndirect\n0.500003 0.499990 0.500007 Sm\n0.875238 0.875201 0.875208 Mg\n0.124758 0.124804 0.124789 Mg\n0.499998 0.500004 0.000001 Cr\n0.000002 0.500002 0.499996 Cr\n0.499999 -0.000000 0.499999 Cr\n0.737149 0.737229 0.737216 S\n0.241142 0.241210 0.723126 S\n0.241158 0.723127 0.241216 S\n0.723110 0.241168 0.241158 S\n0.758847 0.276873 0.758792 S\n0.276886 0.758834 0.758842 S\n0.262852 0.262774 0.262778 S\n0.758856 0.758788 0.276870 S\n",
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{
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"created_at": "2022-09-04T14:38:02.072856Z",
"updated_at": "2022-09-04T14:38:02.072887Z",
"structure_string": "Rb3 Tl1\n1.0\n-3.033195 3.033195 5.857935\n3.033195 -3.033195 5.857935\n3.033195 3.033195 -5.857935\nRb Tl\n3 1\ndirect\n0.250000 0.750000 0.500000 Rb\n0.750000 0.250000 0.500000 Rb\n0.500000 0.500000 0.000000 Rb\n0.000000 0.000000 0.000000 Tl\n",
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{
"id": "jvasp-50766",
"created_at": "2022-09-04T14:37:51.936398Z",
"updated_at": "2022-09-04T14:37:51.936414Z",
"structure_string": "Na5 Sb1 O5\n1.0\n4.541100 -0.001762 0.005944\n-2.268430 5.367798 -0.018160\n-0.008973 -2.061948 6.085294\nNa Sb O\n5 1 5\ndirect\n0.322481 0.646435 0.146164 Na\n0.299948 0.605421 0.677449 Na\n0.694696 0.394915 0.324692 Na\n0.676212 0.353893 0.855967 Na\n0.008179 0.000165 0.501066 Na\n0.972278 0.000163 0.001068 Sb\n0.869747 0.732218 0.156295 O\n0.855463 0.708762 0.705183 O\n0.146881 0.291576 0.296960 O\n0.137688 0.268110 0.845837 O\n0.522839 0.000170 0.001075 O\n",
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{
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"created_at": "2022-09-04T14:38:49.201312Z",
"updated_at": "2022-09-04T14:38:49.201339Z",
"structure_string": "Li2 V1 Fe1 S4\n1.0\n3.375863 -0.000000 -0.000000\n-1.687931 2.923584 -0.000000\n-0.000000 -0.000000 11.799338\nLi V Fe S\n2 1 1 4\ndirect\n0.000000 0.000000 0.759641 Li\n0.000000 0.000000 0.240359 Li\n0.000000 0.000000 0.500000 V\n0.000000 0.000000 0.000000 Fe\n0.666666 0.333333 0.896729 S\n0.666666 0.333333 0.379829 S\n0.333332 0.666666 0.620171 S\n0.333332 0.666666 0.103271 S\n",
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{
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"created_at": "2022-09-04T14:37:17.649220Z",
"updated_at": "2022-09-04T14:37:17.649230Z",
"structure_string": "Rb4 Nb2 Ag2 S8\n1.0\n5.749819 0.000000 1.448691\n2.874909 6.753026 0.724345\n0.020775 0.000000 12.052337\nRb Nb Ag S\n4 2 2 8\ndirect\n0.555557 0.250000 0.888887 Rb\n0.444444 0.750000 0.111113 Rb\n0.194445 0.250000 0.611113 Rb\n0.805556 0.750000 0.388887 Rb\n0.625001 0.750000 0.750000 Nb\n0.375000 0.250000 0.250000 Nb\n0.125001 0.750000 0.750000 Ag\n0.875000 0.250000 0.250000 Ag\n0.567799 0.545927 0.634820 S\n0.248546 0.954074 0.865180 S\n0.886275 0.545927 0.865180 S\n0.797382 0.954074 0.634820 S\n0.432202 0.454074 0.365180 S\n0.202619 0.045927 0.365180 S\n0.113726 0.454074 0.134820 S\n0.751455 0.045927 0.134820 S\n",
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"formula_full": "Rb4 Nb2 Ag2 S8",
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{
"id": "jvasp-116838",
"created_at": "2022-09-04T14:38:46.070123Z",
"updated_at": "2022-09-04T14:38:46.070153Z",
"structure_string": "Ti1 Mn1 V4 O12\n1.0\n6.464102 0.043994 1.753722\n0.265945 6.458778 1.753722\n0.007665 0.007406 5.591682\nTi Mn V O\n1 1 4 12\ndirect\n0.086290 0.913710 0.499999 Ti\n0.915645 0.084354 -0.000000 Mn\n0.803102 0.604437 0.009932 V\n0.610818 0.801119 0.509490 V\n0.395563 0.196898 -0.009933 V\n0.198881 0.389183 0.490509 V\n0.182403 0.028003 0.108469 O\n0.383575 0.332777 0.675712 O\n0.365101 0.922332 0.497290 O\n0.333970 0.387101 0.176479 O\n0.667223 0.616425 0.324287 O\n0.817599 0.971089 0.373461 O\n0.612899 0.666030 0.823520 O\n0.077669 0.634900 0.502709 O\n0.905761 0.357405 0.025148 O\n0.971997 0.817597 0.891530 O\n0.642594 0.094240 0.974852 O\n0.028910 0.182402 0.626538 O\n",
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"volume": 233.221686671683,
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"formula_full": "Ti1 Mn1 V4 O12",
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"formula_anonymous": "ABC4D12",
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{
"id": "jvasp-119699",
"created_at": "2022-09-04T14:38:50.401843Z",
"updated_at": "2022-09-04T14:38:50.401876Z",
"structure_string": "Na6 Co2 B2 As2 O14\n1.0\n9.039455 0.008717 0.315154\n-0.004534 6.441847 -0.013936\n0.041840 0.011684 5.233123\nNa Co B As O\n6 2 2 2 14\ndirect\n0.075392 0.250297 0.768275 Na\n0.250357 0.005042 0.247895 Na\n0.250560 0.494973 0.247916 Na\n0.749447 0.505032 0.752087 Na\n0.749650 -0.005034 0.752103 Na\n0.924611 0.749702 0.231725 Na\n0.326775 0.750020 0.784109 Co\n0.673223 0.249975 0.215895 Co\n0.930940 0.250056 0.279426 B\n0.069061 0.749952 0.720571 B\n0.427860 0.249953 0.715442 As\n0.572141 0.750042 0.284559 As\n0.818547 0.250041 0.471326 O\n0.694573 0.950881 0.206126 O\n0.694474 0.549084 0.205925 O\n0.528755 0.749981 0.612576 O\n0.587353 0.249856 0.876879 O\n0.412649 0.750140 0.123117 O\n0.076605 0.250183 0.315963 O\n0.305525 0.450916 0.794058 O\n0.305429 0.049113 0.793874 O\n0.181453 0.749966 0.528671 O\n0.134316 0.750012 0.958882 O\n0.865679 0.249986 0.041119 O\n0.471245 0.250004 0.387425 O\n0.923396 0.749830 0.684027 O\n",
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"formula_full": "Na6 Co2 B2 As2 O14",
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{
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"created_at": "2022-09-04T14:37:30.928382Z",
"updated_at": "2022-09-04T14:37:30.928408Z",
"structure_string": "Li2 Mg1 Cu2 Si4 O12\n1.0\n5.234538 0.029784 -0.003597\n0.741723 5.701410 0.025720\n1.293021 0.601136 7.367845\nLi Mg Cu Si O\n2 1 2 4 12\ndirect\n0.918230 0.756796 0.413585 Li\n0.081769 0.243204 0.586416 Li\n0.000000 0.000000 0.000000 Mg\n0.494240 0.835232 0.183604 Cu\n0.505759 0.164768 0.816396 Cu\n0.304037 0.774445 0.626587 Si\n0.784539 0.585960 0.815878 Si\n0.215460 0.414040 0.184123 Si\n0.695963 0.225555 0.373414 Si\n0.401406 0.355704 0.348542 O\n0.761480 0.319671 0.907958 O\n0.914105 0.420059 0.306862 O\n0.085894 0.579941 0.693138 O\n0.238520 0.680329 0.092042 O\n0.770930 -0.000316 0.249971 O\n0.269600 0.859616 0.418872 O\n0.737172 0.797301 0.949363 O\n0.730400 0.140384 0.581128 O\n0.229070 0.000316 0.750029 O\n0.598594 0.644296 0.651458 O\n0.262827 0.202699 0.050637 O\n",
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{
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"updated_at": "2022-09-04T14:37:07.487225Z",
"structure_string": "Mg1 Al10 O16\n1.0\n0.000021 4.038487 4.038448\n-4.038444 4.038487 -0.000019\n-3.913087 -7.951624 3.913095\nMg Al O\n1 10 16\ndirect\n0.809783 0.309782 0.429363 Mg\n0.691319 0.191318 0.073976 Al\n0.498021 0.998019 0.494068 Al\n0.749715 0.745482 0.240703 Al\n0.759368 0.259367 0.762047 Al\n0.245484 0.249714 0.240703 Al\n0.243339 0.259367 0.762043 Al\n0.189328 0.689327 0.567977 Al\n0.759368 0.743339 0.762043 Al\n0.310120 0.810119 0.930322 Al\n0.245483 0.745481 0.240699 Al\n0.622710 0.122710 0.868103 O\n0.378143 0.382103 0.142378 O\n0.882109 0.382107 0.142381 O\n0.122608 0.622607 0.367839 O\n0.882105 0.878142 0.142378 O\n0.388528 0.350779 0.627818 O\n0.882449 0.382448 0.647325 O\n0.120480 0.620480 0.859162 O\n0.375763 0.875761 0.127309 O\n0.120481 0.118241 0.859167 O\n0.618241 0.620481 0.859166 O\n0.162508 0.101635 0.365797 O\n0.850781 0.888527 0.627818 O\n0.388525 0.888524 0.627818 O\n0.601636 0.662507 0.365797 O\n0.601636 0.101635 0.365797 O\n",
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{
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{
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"created_at": "2022-09-04T14:37:58.186371Z",
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"structure_string": "Cd2 P2 S6\n1.0\n6.193905 -0.000438 -0.943192\n-3.311330 5.234459 -0.943192\n0.003725 0.006764 6.910566\nCd P S\n2 2 6\ndirect\n0.331816 0.668184 0.000000 Cd\n0.668184 0.331816 0.000000 Cd\n0.056093 0.056093 0.172281 P\n0.943905 0.943906 0.827720 P\n0.397684 0.084555 0.261360 S\n0.915443 0.602314 0.738640 S\n0.230924 0.230925 0.744230 S\n0.769074 0.769074 0.255770 S\n0.602314 0.915445 0.738640 S\n0.084555 0.397685 0.261361 S\n",
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}