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{
"id": "jvasp-87155",
"created_at": "2022-09-04T14:35:48.457096Z",
"updated_at": "2022-09-04T14:35:48.457127Z",
"structure_string": "Be26 Sb2\n1.0\n6.312790 0.000000 3.644691\n2.104264 5.951756 3.644691\n-0.000000 -0.000000 7.289382\nBe Sb\n26 2\ndirect\n0.931839 0.285519 0.714481 Be\n0.068161 0.714482 0.285518 Be\n0.214481 0.431839 0.568161 Be\n0.431838 0.568162 0.214481 Be\n0.568161 0.214482 0.431839 Be\n0.214481 0.568162 0.785518 Be\n0.214481 0.785519 0.431839 Be\n0.785518 0.568162 0.431839 Be\n0.285518 0.714482 0.931838 Be\n0.285519 0.068161 0.714481 Be\n0.068160 0.931839 0.714481 Be\n0.714481 0.931839 0.285518 Be\n0.931838 0.714482 0.068161 Be\n0.714481 0.285519 0.068161 Be\n0.931839 0.068161 0.285518 Be\n0.068161 0.285519 0.931838 Be\n0.785518 0.431839 0.214481 Be\n0.431838 0.785519 0.568161 Be\n0.431839 0.214482 0.785518 Be\n0.568161 0.785519 0.214481 Be\n0.785518 0.214482 0.568161 Be\n0.568161 0.431839 0.785518 Be\n0.285518 0.931839 0.068161 Be\n0.500000 0.500000 0.500000 Be\n0.000000 0.000000 0.000000 Be\n0.714481 0.068161 0.931838 Be\n0.749999 0.750001 0.750000 Sb\n0.250000 0.250000 0.250000 Sb\n",
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{
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"structure_string": "Ba2 Nb4 Bi4 O18\n1.0\n5.702360 0.000000 -0.000000\n0.000000 5.566961 -1.208993\n0.000000 -0.109532 12.917029\nBa Nb Bi O\n2 4 4 18\ndirect\n0.466937 0.248218 0.000000 Ba\n0.966937 0.751782 0.000000 Ba\n0.476359 0.834746 0.173637 Nb\n0.976359 0.338891 0.173637 Nb\n0.476359 0.661109 0.826363 Nb\n0.976359 0.165254 0.826363 Nb\n0.052184 0.518367 0.598198 Bi\n0.552184 0.079832 0.598198 Bi\n0.052184 0.920168 0.401803 Bi\n0.552184 0.481633 0.401803 Bi\n0.701826 0.920826 0.829189 O\n0.442979 0.854592 0.321948 O\n0.262564 0.738414 0.504428 O\n0.762564 0.261586 0.495572 O\n0.262564 0.233986 0.495572 O\n0.708873 0.578491 0.150070 O\n0.208873 0.571577 0.150070 O\n0.701826 0.091638 0.170812 O\n0.708873 0.428423 0.849931 O\n0.942979 0.145408 0.678052 O\n0.201826 0.908362 0.829189 O\n0.201826 0.079174 0.170812 O\n0.955494 0.230830 0.000000 O\n0.442979 0.532645 0.678052 O\n0.208873 0.421509 0.849931 O\n0.762564 0.766014 0.504428 O\n0.942979 0.467355 0.321948 O\n0.455494 0.769170 0.000000 O\n",
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"formula_full": "Ba2 Nb4 Bi4 O18",
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{
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"updated_at": "2022-09-04T14:35:53.957540Z",
"structure_string": "In4 H12 O12\n1.0\n-4.034188 4.005189 4.005189\n4.005189 -4.034188 4.005189\n4.005189 4.005189 -4.034188\nIn H O\n4 12 12\ndirect\n0.500000 -0.000000 -0.000000 In\n-0.000000 -0.000000 0.500000 In\n-0.000000 0.500000 -0.000000 In\n0.500000 0.500000 0.500000 In\n0.645122 0.959380 0.686556 H\n0.354878 0.040620 0.313443 H\n0.280065 0.827139 0.453610 H\n0.959380 0.686556 0.645122 H\n0.040620 0.313443 0.354878 H\n0.719935 0.172861 0.546390 H\n0.827139 0.453610 0.280065 H\n0.686556 0.645122 0.959380 H\n0.313443 0.354878 0.040620 H\n0.546390 0.719935 0.172861 H\n0.453610 0.280065 0.827139 H\n0.172861 0.546390 0.719935 H\n0.837663 0.166883 0.672729 O\n0.162336 0.833117 0.327270 O\n0.834176 0.680212 0.512470 O\n0.165824 0.319788 0.487530 O\n0.166883 0.672729 0.837663 O\n0.319788 0.487530 0.165824 O\n0.680212 0.512470 0.834176 O\n0.672729 0.837663 0.166883 O\n0.327270 0.162336 0.833117 O\n0.487530 0.165824 0.319788 O\n0.833117 0.327270 0.162336 O\n0.512470 0.834176 0.680212 O\n",
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{
"id": "jvasp-97787",
"created_at": "2022-09-04T14:36:01.576793Z",
"updated_at": "2022-09-04T14:36:01.576813Z",
"structure_string": "Co8 Si4 O16\n1.0\n5.334555 0.000000 2.157920\n1.837214 6.733381 3.130944\n0.009336 -0.003150 7.649607\nCo Si O\n8 4 16\ndirect\n0.000000 0.000000 0.000000 Co\n0.250000 0.732689 0.767311 Co\n0.749999 0.267311 0.232689 Co\n0.372212 0.127788 0.627788 Co\n0.127787 0.872212 0.372212 Co\n0.627787 0.872212 0.372212 Co\n0.872212 0.127788 0.627788 Co\n0.500000 0.500000 0.500000 Co\n0.122523 0.494828 0.260126 Si\n0.877476 0.505172 0.739874 Si\n0.377477 0.239874 0.005172 Si\n0.622522 0.760126 0.994828 Si\n0.750000 0.530603 0.969397 O\n0.249999 0.469397 0.030603 O\n0.639925 0.618010 0.629778 O\n0.986933 0.268259 0.757874 O\n0.013066 0.731741 0.242126 O\n0.513066 0.742126 0.231741 O\n0.486934 0.257874 0.768259 O\n0.387714 0.870222 0.881990 O\n0.139926 0.129778 0.118011 O\n0.112286 0.618010 0.629778 O\n0.360074 0.381989 0.370222 O\n0.612285 0.129778 0.118011 O\n0.860073 0.870222 0.881990 O\n0.887713 0.381989 0.370223 O\n0.249999 0.974929 0.525071 O\n0.750000 0.025071 0.474930 O\n",
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"volume": 274.6752274468159,
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"formula_full": "Co8 Si4 O16",
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{
"id": "jvasp-91411",
"created_at": "2022-09-04T14:36:00.999015Z",
"updated_at": "2022-09-04T14:36:00.999025Z",
"structure_string": "Ba8 Sn4 S16\n1.0\n8.122023 0.000000 -2.722271\n0.000000 8.571933 0.000000\n-0.159548 0.000000 11.817070\nBa Sn S\n8 4 16\ndirect\n0.307417 0.804369 0.350063 Ba\n0.192583 0.304369 0.149937 Ba\n0.692583 0.195630 0.649937 Ba\n0.807416 0.695630 0.850063 Ba\n0.737533 0.874671 0.164399 Ba\n0.762467 0.374671 0.335601 Ba\n0.262467 0.125329 0.835601 Ba\n0.237533 0.625329 0.664399 Ba\n0.308866 0.686897 0.008707 Sn\n0.191133 0.186898 0.491293 Sn\n0.691133 0.313102 0.991293 Sn\n0.808866 0.813102 0.508707 Sn\n0.024572 0.307768 0.598955 S\n0.475427 0.807768 0.901045 S\n0.642730 0.614554 0.555102 S\n0.857270 0.114554 0.944898 S\n0.357270 0.385446 0.444898 S\n0.142730 0.885446 0.055102 S\n0.476048 0.600013 0.206254 S\n0.133984 0.481313 0.890193 S\n0.523951 0.399986 0.793746 S\n0.976048 0.899986 0.706254 S\n0.866016 0.518686 0.109807 S\n0.633984 0.018686 0.390194 S\n0.524572 0.192231 0.098955 S\n0.366016 0.981313 0.609806 S\n0.023951 0.100014 0.293746 S\n0.975427 0.692231 0.401045 S\n",
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{
"id": "jvasp-96483",
"created_at": "2022-09-04T14:36:06.746526Z",
"updated_at": "2022-09-04T14:36:06.746549Z",
"structure_string": "Ba8 Ti4 O16\n1.0\n6.168471 0.000000 -0.368073\n0.000000 7.739158 0.000000\n-0.056444 0.000000 10.604509\nBa Ti O\n8 4 16\ndirect\n0.767342 0.843188 0.075389 Ba\n0.232659 0.156812 0.924611 Ba\n0.267342 0.656812 0.575389 Ba\n0.224020 0.499835 0.198017 Ba\n0.275980 0.999835 0.301984 Ba\n0.775980 0.500165 0.801984 Ba\n0.724020 0.000165 0.698017 Ba\n0.732658 0.343188 0.424611 Ba\n0.739761 0.279286 0.082567 Ti\n0.760239 0.779287 0.417434 Ti\n0.260239 0.720714 0.917434 Ti\n0.239762 0.220714 0.582566 Ti\n0.212932 0.490961 0.932691 O\n0.287069 0.990961 0.567309 O\n0.170259 0.318785 0.426484 O\n0.521279 0.237364 0.187641 O\n0.978721 0.737364 0.312360 O\n0.478722 0.762637 0.812360 O\n0.021279 0.262636 0.687641 O\n0.995537 0.173319 0.137450 O\n0.504464 0.673320 0.362551 O\n0.004464 0.826681 0.862551 O\n0.495537 0.326681 0.637450 O\n0.670259 0.181215 0.926484 O\n0.829741 0.681215 0.573517 O\n0.329741 0.818785 0.073517 O\n0.712932 0.009039 0.432691 O\n0.787068 0.509039 0.067309 O\n",
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{
"id": "jvasp-96851",
"created_at": "2022-09-04T14:36:02.193611Z",
"updated_at": "2022-09-04T14:36:02.193640Z",
"structure_string": "Rb4 P4 Pb4 S16\n1.0\n6.512040 0.000000 0.000000\n0.000000 6.749466 0.000000\n0.000000 0.000000 17.177215\nRb P Pb S\n4 4 4 16\ndirect\n0.006652 0.004970 0.042111 Rb\n0.506652 0.495030 0.957889 Rb\n0.993348 0.504970 0.457889 Rb\n0.493348 0.995031 0.542111 Rb\n0.221038 0.011281 0.347475 P\n0.278962 0.988720 0.847476 P\n0.721038 0.488719 0.652525 P\n0.778962 0.511281 0.152525 P\n0.213678 0.524132 0.728972 Pb\n0.713678 0.975869 0.271028 Pb\n0.786322 0.024132 0.771029 Pb\n0.286322 0.475868 0.228972 Pb\n0.461800 0.492624 0.584854 S\n0.389907 0.758228 0.367277 S\n0.849740 0.533074 0.270313 S\n0.594716 0.749267 0.126118 S\n0.094716 0.750734 0.873882 S\n0.650260 0.466927 0.770313 S\n0.110093 0.241773 0.867277 S\n0.150260 0.033073 0.229687 S\n0.961800 0.007376 0.415146 S\n0.889907 0.741773 0.632723 S\n0.905284 0.250734 0.626119 S\n0.405284 0.249266 0.373882 S\n0.538199 0.992625 0.915146 S\n0.349740 0.966927 0.729687 S\n0.038200 0.507376 0.084854 S\n0.610093 0.258228 0.132723 S\n",
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"created_at": "2022-09-04T14:35:49.776405Z",
"updated_at": "2022-09-04T14:35:49.776425Z",
"structure_string": "Li4 Mn4 P4 O16\n1.0\n4.743638 0.000000 0.000000\n-0.000000 6.109250 0.000000\n0.000000 0.000000 10.444246\nLi Mn P O\n4 4 4 16\ndirect\n0.000000 0.000000 0.000000 Li\n0.499999 0.000000 0.500000 Li\n0.000000 0.500000 0.000000 Li\n0.499999 0.500000 0.500000 Li\n0.469965 0.750001 0.218985 Mn\n0.030034 0.750001 0.718986 Mn\n0.969966 0.250000 0.281014 Mn\n0.530035 0.250000 0.781015 Mn\n0.088449 0.250000 0.590923 P\n0.411550 0.250000 0.090924 P\n0.911551 0.750001 0.409077 P\n0.588450 0.750001 0.909076 P\n0.278363 0.047817 0.160972 O\n0.734905 0.250000 0.093836 O\n0.221638 0.452181 0.660972 O\n0.786254 0.750001 0.546623 O\n0.213746 0.250000 0.453378 O\n0.286255 0.250000 0.953378 O\n0.713746 0.750001 0.046623 O\n0.234903 0.750001 0.406165 O\n0.721637 0.952182 0.839028 O\n0.721637 0.547818 0.839028 O\n0.265096 0.750001 0.906164 O\n0.221638 0.047817 0.660972 O\n0.278363 0.452181 0.160972 O\n0.778362 0.547818 0.339028 O\n0.778362 0.952182 0.339028 O\n0.765097 0.250000 0.593837 O\n",
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{
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"created_at": "2022-09-04T14:35:56.151020Z",
"updated_at": "2022-09-04T14:35:56.151036Z",
"structure_string": "K6 Nd2 As4 S16\n1.0\n9.367124 5.216743 -0.050177\n-9.367124 5.216743 -0.050177\n0.000000 3.941889 7.847411\nK Nd As S\n6 2 4 16\ndirect\n0.263587 0.736413 0.750000 K\n0.736413 0.263587 0.250000 K\n0.003279 0.996721 0.750000 K\n0.996721 0.003279 0.250000 K\n0.500000 0.500000 -0.000000 K\n0.500000 0.500000 0.500000 K\n0.243045 0.756954 0.250000 Nd\n0.756955 0.243045 0.750000 Nd\n0.339821 0.098875 0.893093 As\n0.660179 0.901125 0.106906 As\n0.901125 0.660179 0.606906 As\n0.098875 0.339821 0.393094 As\n0.529805 0.871465 0.936824 S\n0.490894 0.140680 0.645209 S\n0.859320 0.509106 0.854790 S\n0.871465 0.529805 0.436824 S\n0.470194 0.128535 0.063175 S\n0.128535 0.470194 0.563175 S\n0.153471 0.871484 0.486879 S\n0.751562 0.737893 0.629074 S\n0.846529 0.128516 0.513121 S\n0.871484 0.153471 0.986879 S\n0.248438 0.262107 0.370925 S\n0.737892 0.751562 0.129074 S\n0.140680 0.490894 0.145209 S\n0.262107 0.248438 0.870925 S\n0.128516 0.846529 0.013121 S\n0.509106 0.859320 0.354790 S\n",
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{
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"created_at": "2022-09-04T14:35:53.694121Z",
"updated_at": "2022-09-04T14:35:53.694149Z",
"structure_string": "Tl12 Si4 Te12\n1.0\n9.490796 0.022732 1.092695\n1.833202 9.612872 0.154233\n-0.002627 0.011014 10.592237\nTl Si Te\n12 4 12\ndirect\n0.098169 0.962092 0.646418 Tl\n0.486607 0.618674 0.645443 Tl\n0.196220 0.150570 0.158030 Tl\n0.641738 0.220535 0.916234 Tl\n0.803780 0.849430 0.841970 Tl\n0.683360 0.712386 0.239001 Tl\n0.098132 0.568549 0.344504 Tl\n0.358262 0.779465 0.083766 Tl\n0.316640 0.287613 0.760999 Tl\n0.901868 0.431450 0.655496 Tl\n0.513394 0.381325 0.354558 Tl\n0.901831 0.037907 0.353583 Tl\n0.574861 0.982049 0.582260 Si\n0.425139 0.017950 0.417740 Si\n0.087786 0.570804 0.985199 Si\n0.912214 0.429195 0.014802 Si\n0.311877 0.442685 0.077306 Te\n0.318756 0.798070 0.406388 Te\n0.127351 0.619549 0.748180 Te\n0.221633 0.225939 0.472997 Te\n0.002850 0.201733 0.894829 Te\n0.778367 0.774060 0.527004 Te\n0.681244 0.201929 0.593613 Te\n0.580309 0.067418 0.216730 Te\n0.688123 0.557315 0.922694 Te\n0.872649 0.380450 0.251820 Te\n0.419691 0.932582 0.783270 Te\n0.997150 0.798266 0.105171 Te\n",
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{
"id": "jvasp-97472",
"created_at": "2022-09-04T14:36:01.740206Z",
"updated_at": "2022-09-04T14:36:01.740233Z",
"structure_string": "Yb2 Cu18 Sn8\n1.0\n7.495667 -0.000000 -4.279331\n-2.443101 7.086345 -4.279331\n-0.000354 -0.000496 8.703744\nYb Cu Sn\n2 18 8\ndirect\n0.750001 0.750000 0.500000 Yb\n0.250000 0.250000 0.500000 Yb\n0.500000 0.000000 0.000000 Cu\n0.199020 0.947772 0.000001 Cu\n0.447771 0.699020 0.000001 Cu\n0.066210 0.781454 0.347664 Cu\n0.566210 0.066210 0.347664 Cu\n0.718547 0.433790 0.652336 Cu\n0.552229 0.300981 0.000000 Cu\n0.800981 0.052229 0.000000 Cu\n0.781455 0.281454 0.347664 Cu\n0.000000 0.500000 0.000000 Cu\n0.052229 0.199019 0.000000 Cu\n0.947772 0.800981 0.000001 Cu\n0.218546 0.718546 0.652336 Cu\n0.281454 0.566210 0.347664 Cu\n0.433791 0.933791 0.652337 Cu\n0.933791 0.218546 0.652336 Cu\n0.300981 0.447771 0.000000 Cu\n0.699020 0.552229 0.000001 Cu\n0.059588 0.559587 0.744851 Sn\n0.559588 0.685264 0.744852 Sn\n0.940413 0.440413 0.255149 Sn\n0.440413 0.314736 0.255149 Sn\n0.185265 0.059587 0.744851 Sn\n0.685265 0.185264 0.744851 Sn\n0.814736 0.940413 0.255149 Sn\n0.314736 0.814736 0.255149 Sn\n",
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],
"chemical_system": "Cu-Sn-Yb",
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{
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"spacegroup": 62
}
]
}