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{
"id": "jvasp-22931",
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"structure_string": "Ca20 Sb12\n1.0\n8.234640 0.000000 0.000000\n0.000000 9.540718 0.000000\n0.000000 0.000000 12.558001\nCa Sb\n20 12\ndirect\n0.307938 0.959673 0.077963 Ca\n0.964255 0.750000 0.003979 Ca\n0.464255 0.250000 0.496021 Ca\n0.035745 0.250000 0.996021 Ca\n0.535745 0.750000 0.503979 Ca\n0.845138 0.250000 0.706978 Ca\n0.654862 0.250000 0.206978 Ca\n0.154862 0.750000 0.293022 Ca\n0.819471 0.750000 0.727375 Ca\n0.319471 0.250000 0.772625 Ca\n0.345138 0.750000 0.793022 Ca\n0.680529 0.750000 0.227375 Ca\n0.807938 0.459673 0.422037 Ca\n0.307938 0.540327 0.077963 Ca\n0.192062 0.959673 0.577963 Ca\n0.692062 0.040327 0.922037 Ca\n0.192062 0.540327 0.577963 Ca\n0.692062 0.459673 0.922037 Ca\n0.807938 0.040327 0.422037 Ca\n0.180529 0.250000 0.272625 Ca\n0.074326 0.250000 0.514661 Sb\n0.574326 0.750000 0.985339 Sb\n0.439683 0.510728 0.328599 Sb\n0.939683 0.489272 0.171401 Sb\n0.560317 0.010728 0.671401 Sb\n0.439683 0.989272 0.328599 Sb\n0.560317 0.489272 0.671401 Sb\n0.060317 0.510728 0.828599 Sb\n0.939683 0.010728 0.171401 Sb\n0.425674 0.250000 0.014661 Sb\n0.060317 0.989272 0.828599 Sb\n0.925674 0.750000 0.485339 Sb\n",
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{
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"structure_string": "K20 Li4 Ge8 O28\n1.0\n6.243568 0.018221 0.000000\n-2.705697 9.967396 0.000000\n0.000000 0.000000 15.875680\nK Li Ge O\n20 4 8 28\ndirect\n0.829648 0.582122 0.433126 K\n0.170662 0.388567 0.155473 K\n0.495714 0.264159 0.870436 K\n0.788818 0.090304 0.165600 K\n0.995714 0.764159 0.629564 K\n0.829338 0.611434 0.844527 K\n0.504286 0.735842 0.129564 K\n0.329338 0.111434 0.655473 K\n0.820845 0.078700 0.556827 K\n0.670662 0.888567 0.344527 K\n0.004286 0.235841 0.370436 K\n0.320844 0.578701 0.943173 K\n0.288818 0.590304 0.334400 K\n0.711182 0.409696 0.665600 K\n0.329648 0.082122 0.066874 K\n0.179155 0.921300 0.443173 K\n0.211181 0.909696 0.834400 K\n0.679156 0.421300 0.056827 K\n0.670352 0.917878 0.933126 K\n0.170352 0.417878 0.566874 K\n0.399964 0.104867 0.279609 Li\n0.100036 0.395133 0.779609 Li\n0.899964 0.604867 0.220391 Li\n0.600036 0.895133 0.720391 Li\n0.616318 0.388724 0.265658 Ge\n0.383682 0.611276 0.734342 Ge\n0.508720 0.244610 0.446793 Ge\n0.116318 0.888724 0.234342 Ge\n0.883682 0.111276 0.765658 Ge\n0.491280 0.755390 0.553207 Ge\n0.008719 0.744610 0.053207 Ge\n0.991281 0.255390 0.946793 Ge\n0.438338 0.889646 0.612689 O\n0.561662 0.110355 0.387311 O\n0.593345 0.070474 0.783183 O\n0.739432 0.325830 0.509126 O\n0.239432 0.825831 0.990874 O\n0.464703 0.370984 0.367691 O\n0.435332 0.466210 0.782053 O\n0.760568 0.174170 0.009126 O\n0.490104 0.752195 0.798534 O\n0.035297 0.129016 0.867691 O\n0.964703 0.870984 0.132309 O\n0.245493 0.307232 0.002288 O\n0.938338 0.389645 0.887311 O\n0.406655 0.929526 0.216817 O\n0.564668 0.533790 0.217947 O\n0.745493 0.807232 0.497712 O\n0.254507 0.192768 0.502288 O\n0.509896 0.247805 0.201466 O\n0.009895 0.747805 0.298534 O\n0.906655 0.429526 0.283183 O\n0.093345 0.570474 0.716817 O\n0.935331 0.966210 0.717947 O\n0.990104 0.252195 0.701466 O\n0.061662 0.610355 0.112689 O\n0.754507 0.692768 0.997712 O\n0.064668 0.033790 0.282053 O\n0.535297 0.629016 0.632309 O\n0.260568 0.674170 0.490874 O\n",
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"Li",
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"O"
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{
"id": "jvasp-91349",
"created_at": "2022-09-04T14:36:22.410451Z",
"updated_at": "2022-09-04T14:36:22.410468Z",
"structure_string": "K6 Au2 Se26\n1.0\n4.872687 0.000000 0.000000\n0.000000 13.577186 -0.971772\n0.000000 -0.050937 14.957530\nK Au Se\n6 2 26\ndirect\n0.804252 0.841483 0.724140 K\n0.804252 0.658518 0.275860 K\n0.828403 0.750000 0.000000 K\n0.171598 0.250000 0.000000 K\n0.195748 0.158518 0.275860 K\n0.195748 0.341482 0.724140 K\n0.000000 0.500000 0.500000 Au\n0.000000 -0.000000 0.500000 Au\n0.629876 0.917105 0.265181 Se\n0.683240 0.049881 0.379012 Se\n0.325431 0.917864 0.932730 Se\n0.316760 0.950119 0.620988 Se\n0.316760 0.549881 0.379012 Se\n0.591100 0.250000 0.500000 Se\n0.408901 0.750000 0.500000 Se\n0.108720 0.840166 0.409557 Se\n0.108720 0.659834 0.590443 Se\n0.891280 0.159834 0.590443 Se\n0.891280 0.340166 0.409557 Se\n0.692715 0.238054 0.152019 Se\n0.692715 0.261946 0.847981 Se\n0.307285 0.761946 0.847981 Se\n0.307285 0.738054 0.152019 Se\n0.674570 0.082136 0.067270 Se\n0.683240 0.450119 0.620988 Se\n0.370125 0.082895 0.734819 Se\n0.325431 0.582136 0.067270 Se\n0.927220 0.960900 0.143979 Se\n0.927220 0.539100 0.856021 Se\n0.072781 0.039100 0.856021 Se\n0.072781 0.460900 0.143979 Se\n0.629876 0.582895 0.734819 Se\n0.370125 0.417105 0.265181 Se\n0.674570 0.417864 0.932730 Se\n",
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"volume": 989.3097680835237,
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{
"id": "jvasp-98044",
"created_at": "2022-09-04T14:37:52.069443Z",
"updated_at": "2022-09-04T14:37:52.069467Z",
"structure_string": "Ba6 Co25 S27\n1.0\n9.967702 0.000000 -0.000000\n-0.000000 9.967702 -0.000000\n0.000000 0.000000 9.967702\nBa Co S\n6 25 27\ndirect\n0.500000 0.500000 0.194921 Ba\n0.500000 0.805079 0.500000 Ba\n0.500000 0.194921 0.500000 Ba\n0.194921 0.500000 0.500000 Ba\n0.805079 0.500000 0.500000 Ba\n0.500000 0.500000 0.805079 Ba\n0.369077 0.870703 0.870703 Co\n0.129297 0.630923 0.870703 Co\n0.870703 0.369077 0.870703 Co\n0.870703 0.630923 0.129297 Co\n0.369077 0.129297 0.870703 Co\n0.870703 0.630923 0.870703 Co\n0.129297 0.630923 0.129297 Co\n0.870703 0.129297 0.630923 Co\n0.870703 0.870703 0.630923 Co\n0.000000 0.000000 0.000000 Co\n0.630923 0.870703 0.870703 Co\n0.870703 0.870703 0.369077 Co\n0.870703 0.129297 0.369077 Co\n0.129297 0.870703 0.630923 Co\n0.630923 0.129297 0.870703 Co\n0.129297 0.870703 0.369077 Co\n0.129297 0.129297 0.630923 Co\n0.129297 0.369077 0.870703 Co\n0.870703 0.369077 0.129297 Co\n0.129297 0.369077 0.129297 Co\n0.369077 0.870703 0.129297 Co\n0.129297 0.129297 0.369077 Co\n0.369077 0.129297 0.129297 Co\n0.630923 0.870703 0.129297 Co\n0.630923 0.129297 0.129297 Co\n0.000000 0.500000 0.245610 S\n0.000000 0.754390 0.500000 S\n0.000000 0.245610 0.500000 S\n0.245610 0.500000 0.000000 S\n0.500000 0.000000 0.245610 S\n0.245610 0.000000 0.500000 S\n0.500000 0.245610 0.000000 S\n0.500000 0.754390 0.000000 S\n0.736627 0.736627 0.736627 S\n0.754390 0.000000 0.500000 S\n0.754390 0.500000 0.000000 S\n0.736627 0.263373 0.736627 S\n0.263373 0.263373 0.263373 S\n0.736627 0.736627 0.263373 S\n0.736627 0.263373 0.263373 S\n0.263373 0.263373 0.736627 S\n0.263373 0.736627 0.263373 S\n0.000000 0.761988 0.000000 S\n0.238012 0.000000 0.000000 S\n0.761988 0.000000 0.000000 S\n0.000000 0.000000 0.761988 S\n0.000000 0.000000 0.238012 S\n0.000000 0.238012 0.000000 S\n0.500000 0.500000 0.500000 S\n0.000000 0.500000 0.754390 S\n0.263373 0.736627 0.736627 S\n0.500000 0.000000 0.754390 S\n",
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"volume": 990.3418611321122,
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{
"id": "jvasp-98154",
"created_at": "2022-09-04T14:36:14.590521Z",
"updated_at": "2022-09-04T14:36:14.590548Z",
"structure_string": "B12 H24 N12 Cl24\n1.0\n10.245741 0.000000 0.000000\n0.000000 11.946005 0.000000\n0.000000 0.000000 8.105349\nB H N Cl\n12 24 12 24\ndirect\n0.537388 0.250000 0.795275 B\n0.667864 0.364700 0.036461 B\n0.832136 0.635300 0.536461 B\n0.332136 0.864700 0.963539 B\n0.832136 0.864700 0.536461 B\n0.332136 0.635300 0.963539 B\n0.167864 0.135300 0.463539 B\n0.667864 0.135300 0.036461 B\n0.962612 0.750000 0.295275 B\n0.462612 0.750000 0.204725 B\n0.037388 0.250000 0.704725 B\n0.167864 0.364700 0.463539 B\n0.809476 0.630355 0.275549 H\n0.554117 0.426404 0.836696 H\n0.945883 0.573596 0.336696 H\n0.445883 0.926404 0.163304 H\n0.945883 0.926404 0.336696 H\n0.445883 0.573596 0.163304 H\n0.054117 0.426404 0.663304 H\n0.554117 0.073596 0.836696 H\n0.190524 0.130355 0.724452 H\n0.690524 0.369646 0.775549 H\n0.309476 0.869646 0.224451 H\n0.054117 0.073596 0.663304 H\n0.309476 0.630355 0.224451 H\n0.809476 0.869646 0.275549 H\n0.828297 0.250000 0.026600 H\n0.328297 0.250000 0.473400 H\n0.671703 0.750000 0.526600 H\n0.756275 0.250000 0.206215 H\n0.171703 0.750000 0.973400 H\n0.243725 0.750000 0.793785 H\n0.743725 0.750000 0.706215 H\n0.690524 0.130355 0.775549 H\n0.190524 0.369646 0.724452 H\n0.256275 0.250000 0.293785 H\n0.887084 0.856900 0.355101 N\n0.612916 0.356900 0.855101 N\n0.887084 0.643101 0.355101 N\n0.387084 0.856900 0.144899 N\n0.387084 0.643101 0.144899 N\n0.112916 0.143101 0.644899 N\n0.612916 0.143101 0.855101 N\n0.763473 0.750000 0.581502 N\n0.263473 0.750000 0.918499 N\n0.236527 0.250000 0.418499 N\n0.736527 0.250000 0.081501 N\n0.112916 0.356900 0.644899 N\n0.707036 0.522688 0.535823 Cl\n0.792964 0.477313 0.035823 Cl\n0.292964 0.022688 0.464177 Cl\n0.368030 0.250000 0.874072 Cl\n0.631969 0.750000 0.125929 Cl\n0.207036 0.977313 0.964178 Cl\n0.131970 0.750000 0.374071 Cl\n0.538496 0.250000 0.565008 Cl\n0.038496 0.250000 0.934992 Cl\n0.868030 0.250000 0.625929 Cl\n0.707036 0.977313 0.535823 Cl\n0.792964 0.022688 0.035823 Cl\n0.292964 0.477313 0.464177 Cl\n0.035609 0.105286 0.315159 Cl\n0.535609 0.394714 0.184841 Cl\n0.964391 0.605287 0.684841 Cl\n0.464391 0.894714 0.815159 Cl\n0.964391 0.894714 0.684841 Cl\n0.464391 0.605287 0.815159 Cl\n0.035609 0.394714 0.315159 Cl\n0.535609 0.105286 0.184841 Cl\n0.461504 0.750000 0.434992 Cl\n0.207036 0.522688 0.964178 Cl\n0.961504 0.750000 0.065008 Cl\n",
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"formula_full": "B12 H24 N12 Cl24",
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{
"id": "jvasp-55630",
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"updated_at": "2022-09-04T14:37:12.543838Z",
"structure_string": "Sr8 I16\n1.0\n7.900199 0.000000 0.000000\n-0.000000 8.279030 0.000000\n0.000000 0.000000 15.174543\nSr I\n8 16\ndirect\n0.721728 0.552034 0.109243 Sr\n0.221728 0.447966 0.390757 Sr\n0.778272 0.052034 0.890757 Sr\n0.278272 0.947966 0.609243 Sr\n0.278272 0.447966 0.890757 Sr\n0.778272 0.552034 0.609243 Sr\n0.221728 0.947966 0.109243 Sr\n0.721728 0.052034 0.390757 Sr\n0.507121 0.729646 0.463567 I\n0.007121 0.270354 0.036433 I\n0.007121 0.770353 0.463567 I\n0.507121 0.229646 0.036433 I\n0.492879 0.270354 0.536433 I\n0.992879 0.729646 0.963567 I\n0.832244 0.396162 0.299221 I\n0.167756 0.603838 0.700779 I\n0.667756 0.896162 0.700779 I\n0.167756 0.103838 0.799221 I\n0.492879 0.770353 0.963567 I\n0.667756 0.396162 0.799221 I\n0.332244 0.103838 0.299221 I\n0.832244 0.896162 0.200779 I\n0.332244 0.603838 0.200779 I\n0.992879 0.229646 0.536433 I\n",
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{
"id": "jvasp-97957",
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