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{
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{
"id": "jvasp-40171",
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"updated_at": "2022-09-04T14:38:16.862763Z",
"structure_string": "K4 Si4 Bi4 S16\n1.0\n0.000000 6.546008 -0.016297\n6.712770 0.000000 0.000000\n0.000000 -5.215280 -16.227023\nK Si Bi S\n4 4 4 16\ndirect\n0.219886 0.246877 0.965105 K\n0.780114 0.746877 0.534895 K\n0.780114 0.753123 0.034895 K\n0.219886 0.253123 0.465105 K\n0.292665 0.734108 0.844536 Si\n0.707335 0.234108 0.655464 Si\n0.707335 0.265892 0.155464 Si\n0.292665 0.765892 0.344536 Si\n0.739016 0.711938 0.279076 Bi\n0.260984 0.211938 0.220924 Bi\n0.260984 0.288062 0.720924 Bi\n0.739016 0.788062 0.779076 Bi\n0.903478 0.190755 0.781610 S\n0.096523 0.690755 0.718390 S\n0.487650 0.504307 0.360819 S\n0.512351 0.004307 0.139181 S\n0.512351 0.495693 0.639181 S\n0.487650 0.995693 0.860819 S\n0.090242 0.757540 0.421342 S\n0.480961 0.996783 0.630735 S\n0.909758 0.242460 0.578658 S\n0.090242 0.742460 0.921342 S\n0.519039 0.003217 0.369265 S\n0.480961 0.503217 0.130735 S\n0.903478 0.309245 0.281610 S\n0.519039 0.496783 0.869265 S\n0.909758 0.257540 0.078658 S\n0.096523 0.809245 0.218390 S\n",
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{
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"structure_string": "Pb4 Se4 O16\n1.0\n7.020790 0.002585 0.000000\n-1.639631 7.006080 0.000000\n0.000000 0.000000 7.463274\nPb Se O\n4 4 16\ndirect\n0.402604 0.218287 0.148311 Pb\n0.597396 0.781714 0.851689 Pb\n0.902604 0.718287 0.351689 Pb\n0.097396 0.281714 0.648311 Pb\n0.880571 0.196195 0.163859 Se\n0.619430 0.303806 0.663859 Se\n0.119430 0.803806 0.836141 Se\n0.380571 0.696194 0.336141 Se\n0.484223 0.617587 0.156803 O\n0.015777 0.882414 0.656803 O\n0.515777 0.382414 0.843196 O\n0.984223 0.117587 0.343197 O\n0.285290 0.884279 0.293141 O\n0.449720 0.262167 0.503155 O\n0.050280 0.237833 0.003155 O\n0.680667 0.026018 0.109621 O\n0.819333 0.473983 0.609621 O\n0.319333 0.973983 0.890379 O\n0.180667 0.526018 0.390379 O\n0.785290 0.384279 0.206859 O\n0.714710 0.115722 0.706858 O\n0.214710 0.615722 0.793141 O\n0.949720 0.762168 0.996844 O\n0.550280 0.737833 0.496845 O\n",
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{
"id": "jvasp-12114",
"created_at": "2022-09-04T14:38:17.091990Z",
"updated_at": "2022-09-04T14:38:17.092018Z",
"structure_string": "Sn4 P4 O12 F4\n1.0\n4.690486 0.054851 0.000000\n-0.944712 6.079343 0.000000\n0.000000 0.000000 12.554218\nSn P O F\n4 4 12 4\ndirect\n0.963468 0.731334 0.374299 Sn\n0.036533 0.268665 0.625701 Sn\n0.963468 0.231334 0.125701 Sn\n0.036533 0.768665 0.874299 Sn\n0.603647 0.163821 0.851854 P\n0.396354 0.336179 0.351853 P\n0.396354 0.836179 0.148147 P\n0.603647 0.663820 0.648147 P\n0.237562 0.477533 0.425149 O\n0.794823 0.802277 0.727658 O\n0.762439 0.522467 0.574851 O\n0.794823 0.302278 0.772343 O\n0.323680 0.046368 0.803914 O\n0.676321 0.453632 0.303914 O\n0.205178 0.197722 0.272343 O\n0.205178 0.697722 0.227658 O\n0.762439 0.022467 0.925149 O\n0.237562 0.977532 0.074851 O\n0.323680 0.546368 0.696087 O\n0.676321 0.953632 0.196086 O\n0.496278 0.156421 0.429724 F\n0.503723 0.843578 0.570277 F\n0.503723 0.343579 0.929724 F\n0.496278 0.656421 0.070276 F\n",
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{
"id": "jvasp-21006",
"created_at": "2022-09-04T14:38:17.632560Z",
"updated_at": "2022-09-04T14:38:17.632579Z",
"structure_string": "Sr4 Nb8 O24\n1.0\n0.000000 7.759223 -0.003199\n5.647193 0.000000 0.000000\n0.000000 -0.055257 -11.207408\nSr Nb O\n4 8 24\ndirect\n0.249863 0.463197 0.039284 Sr\n0.750136 0.963197 0.460716 Sr\n0.750136 0.536802 0.960716 Sr\n0.249863 0.036802 0.539284 Sr\n0.479745 0.466936 0.356935 Nb\n0.479744 0.033064 0.856935 Nb\n0.520255 0.533063 0.643065 Nb\n0.520255 0.966936 0.143065 Nb\n0.992199 0.472933 0.355896 Nb\n0.992198 0.027067 0.855896 Nb\n0.007801 0.527067 0.644104 Nb\n0.007801 0.972933 0.144104 Nb\n0.036108 0.779282 0.973583 O\n0.948249 0.133603 0.289073 O\n0.051751 0.633603 0.210927 O\n0.464216 0.778459 0.973648 O\n0.535783 0.278460 0.526353 O\n0.535783 0.221540 0.026352 O\n0.464217 0.721540 0.473648 O\n0.036108 0.720717 0.473583 O\n0.963891 0.220718 0.026417 O\n0.963891 0.279282 0.526417 O\n0.445793 0.861889 0.711631 O\n0.748504 0.964617 0.853383 O\n0.554206 0.138111 0.288369 O\n0.445793 0.638111 0.211631 O\n0.251495 0.035383 0.146617 O\n0.748504 0.535383 0.353383 O\n0.948248 0.366397 0.789073 O\n0.251495 0.464617 0.646617 O\n0.751837 0.851224 0.127963 O\n0.248163 0.351224 0.372037 O\n0.248163 0.148776 0.872037 O\n0.751836 0.648776 0.627963 O\n0.554206 0.361889 0.788369 O\n0.051751 0.866397 0.710927 O\n",
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{
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"created_at": "2022-09-04T14:38:18.131259Z",
"updated_at": "2022-09-04T14:38:18.131269Z",
"structure_string": "Lu4 P4 S16\n1.0\n0.000000 8.129097 0.322410\n6.447494 0.000000 0.000000\n0.000000 -6.359413 -10.784299\nLu P S\n4 4 16\ndirect\n0.561480 0.326035 0.166631 Lu\n0.438521 0.826034 0.333369 Lu\n0.438521 0.673965 0.833370 Lu\n0.561480 0.173965 0.666631 Lu\n0.702388 0.225655 0.967323 P\n0.297613 0.725654 0.532677 P\n0.297613 0.774345 0.032677 P\n0.702388 0.274345 0.467323 P\n0.244276 0.553948 0.130338 S\n0.755725 0.053949 0.369662 S\n0.735563 0.953389 0.892286 S\n0.264439 0.453389 0.607714 S\n0.264438 0.046610 0.107714 S\n0.735562 0.546610 0.392286 S\n0.876141 0.245409 0.157889 S\n0.411800 0.266982 0.910619 S\n0.123860 0.754590 0.842112 S\n0.876141 0.254590 0.657889 S\n0.244276 0.946051 0.630338 S\n0.588201 0.766982 0.589381 S\n0.588200 0.733017 0.089381 S\n0.411800 0.233017 0.410619 S\n0.123860 0.745409 0.342112 S\n0.755725 0.446051 0.869662 S\n",
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{
"id": "jvasp-26741",
"created_at": "2022-09-04T14:38:18.217646Z",
"updated_at": "2022-09-04T14:38:18.217665Z",
"structure_string": "K8 P4 O16\n1.0\n0.000000 5.902257 0.022585\n10.201211 0.000000 0.000000\n0.000000 -1.200981 -7.256126\nK P O\n8 4 16\ndirect\n0.747689 0.915391 0.172858 K\n0.252312 0.415391 0.327143 K\n0.252312 0.084609 0.827143 K\n0.747689 0.584609 0.672858 K\n0.238663 0.769892 0.471988 K\n0.761337 0.269892 0.028012 K\n0.761337 0.230108 0.528013 K\n0.238664 0.730108 0.971989 K\n0.273632 0.423609 0.778064 P\n0.726369 0.576391 0.221937 P\n0.273632 0.076391 0.278064 P\n0.726369 0.923609 0.721937 P\n0.223574 0.946874 0.175678 O\n0.548154 0.659197 0.296866 O\n0.388187 0.461940 -0.000926 O\n0.611814 0.961940 0.500927 O\n0.936781 0.650300 0.182119 O\n0.548154 0.840803 0.796867 O\n0.063220 0.349700 0.817882 O\n0.451847 0.340803 0.703135 O\n0.223574 0.553126 0.675679 O\n0.388187 0.038060 0.499074 O\n0.611814 0.538060 0.000927 O\n0.776427 0.053126 0.824323 O\n0.936781 0.849700 0.682120 O\n0.451847 0.159197 0.203135 O\n0.063220 0.150300 0.317882 O\n0.776427 0.446874 0.324323 O\n",
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{
"id": "jvasp-49161",
"created_at": "2022-09-04T14:38:18.283210Z",
"updated_at": "2022-09-04T14:38:18.283228Z",
"structure_string": "Sm4 Sb4 O16\n1.0\n0.000000 7.652482 -0.025640\n5.487864 0.000000 0.000000\n0.000000 -1.260219 -7.576660\nSm Sb O\n4 4 16\ndirect\n0.104604 0.273625 0.853640 Sm\n0.395396 0.773625 0.146360 Sm\n0.895396 0.726374 0.146360 Sm\n0.604604 0.226375 0.853640 Sm\n0.305178 0.769735 0.662928 Sb\n0.194822 0.269735 0.337072 Sb\n0.694822 0.230265 0.337072 Sb\n0.805178 0.730264 0.662928 Sb\n0.694882 0.406164 0.565736 O\n0.805117 0.906164 0.434264 O\n0.375453 0.500442 0.827985 O\n0.124547 0.000442 0.172015 O\n0.624547 0.499557 0.172015 O\n0.875453 -0.000442 0.827985 O\n0.559293 0.872574 0.668118 O\n0.827557 0.520040 0.882797 O\n0.440707 0.127425 0.331882 O\n0.059293 0.627424 0.668118 O\n0.194882 0.093835 0.565736 O\n0.672443 0.020041 0.117203 O\n0.172443 0.479959 0.117203 O\n0.327557 0.979958 0.882797 O\n0.940706 0.372575 0.331882 O\n0.305118 0.593835 0.434264 O\n",
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{
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{
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"created_at": "2022-09-04T14:38:18.358583Z",
"updated_at": "2022-09-04T14:38:18.358591Z",
"structure_string": "K8 Zr4 Si8 O28\n1.0\n0.000000 9.629530 0.066493\n5.616510 0.000000 0.000000\n0.000000 -6.522249 -12.640156\nK Zr Si O\n8 4 8 28\ndirect\n0.039045 0.754378 0.428519 K\n0.525656 0.245890 0.407068 K\n0.960955 0.254378 0.071481 K\n0.039045 0.745622 0.928519 K\n0.960956 0.245622 0.571481 K\n0.474344 0.754110 0.592932 K\n0.474344 0.745890 0.092932 K\n0.525656 0.254110 0.907068 K\n0.766430 0.241265 0.773502 Zr\n0.233570 0.741265 0.726499 Zr\n0.233570 0.758735 0.226499 Zr\n0.766430 0.258735 0.273502 Zr\n0.333350 0.250061 0.113879 Si\n0.333350 0.249939 0.613879 Si\n0.666650 0.749939 0.886122 Si\n0.666650 0.750062 0.386122 Si\n0.180219 0.233811 0.870763 Si\n0.819782 0.766189 0.129237 Si\n0.819782 0.733811 0.629238 Si\n0.180219 0.266189 0.370763 Si\n0.324513 0.216822 0.494100 O\n0.478383 0.754049 0.305695 O\n0.215652 0.970666 0.836840 O\n0.206078 0.056379 0.301322 O\n0.784348 0.470666 0.663161 O\n0.987245 0.750360 0.127282 O\n0.987245 0.749640 0.627282 O\n0.675488 0.716822 0.005900 O\n0.784348 0.029334 0.163161 O\n0.215652 0.529334 0.336840 O\n0.793922 0.556379 0.198679 O\n0.521617 0.245951 0.694306 O\n0.521617 0.254049 0.194306 O\n0.012755 0.249640 0.872719 O\n0.757141 0.978649 0.368992 O\n0.248574 0.501782 0.613867 O\n0.324513 0.283178 0.994101 O\n0.478383 0.745951 0.805695 O\n0.012755 0.250360 0.372719 O\n0.242859 0.021351 0.631009 O\n0.751426 0.498218 0.386133 O\n0.757141 0.521351 0.868992 O\n0.248574 0.998218 0.113867 O\n0.242859 0.478649 0.131009 O\n0.751426 0.001782 0.886133 O\n0.675488 0.783178 0.505900 O\n0.793923 0.943621 0.698679 O\n0.206078 0.443621 0.801322 O\n",
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{
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],
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"formula_full": "Rb4 Lu4 P8 O28",
"formula_reduced": "RbLuP2O7",
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},
{
"id": "jvasp-25583",
"created_at": "2022-09-04T14:38:18.649498Z",
"updated_at": "2022-09-04T14:38:18.649519Z",
"structure_string": "Rb4 Na4 Si8 O20\n1.0\n0.000000 4.910690 -0.001867\n13.708933 0.000000 0.000000\n0.000000 -0.134109 -7.706477\nRb Na Si O\n4 4 8 20\ndirect\n0.278308 0.802795 0.217104 Rb\n0.278308 0.697205 0.717104 Rb\n0.721692 0.302795 0.282896 Rb\n0.721692 0.197205 0.782896 Rb\n0.227620 0.092627 0.033032 Na\n0.227620 0.407373 0.533033 Na\n0.772380 0.907373 0.966968 Na\n0.772380 0.592627 0.466968 Na\n0.796466 0.868990 0.518705 Si\n0.301187 0.954016 0.714395 Si\n0.698813 0.454016 0.785606 Si\n0.203534 0.368990 0.981296 Si\n0.203534 0.131010 0.481296 Si\n0.796466 0.631010 0.018704 Si\n0.301187 0.545983 0.214395 Si\n0.698813 0.045984 0.285606 Si\n0.251936 0.071799 0.669927 O\n0.244292 0.931317 0.912978 O\n0.729305 0.756690 0.499334 O\n0.755708 0.431317 0.587023 O\n0.270695 0.256690 0.000667 O\n0.122084 0.611570 0.072072 O\n0.251936 0.428201 0.169927 O\n0.375419 0.429820 0.831432 O\n0.122084 0.888430 0.572072 O\n0.755708 0.068683 0.087023 O\n0.748064 0.928201 0.330073 O\n0.748064 0.571798 0.830073 O\n0.375420 0.070180 0.331431 O\n0.244292 0.568683 0.412977 O\n0.877916 0.111570 0.427929 O\n0.624580 0.570180 0.168569 O\n0.877916 0.388430 0.927929 O\n0.624580 0.929820 0.668569 O\n0.729305 0.743309 -0.000666 O\n0.270695 0.243310 0.500667 O\n",
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"elements": [
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],
"chemical_system": "Na-O-Rb-Si",
"density": 3.131886431381304,
"density_atomic": 0.06939010871401546,
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"volume_molar": 8.678673187874173,
"formula_full": "Rb4 Na4 Si8 O20",
"formula_reduced": "RbNaSi2O5",
"formula_anonymous": "ABC2D5",
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},
{
"id": "jvasp-44551",
"created_at": "2022-09-04T14:38:18.917312Z",
"updated_at": "2022-09-04T14:38:18.917338Z",
"structure_string": "Rb12 Lu4 O12\n1.0\n0.000000 7.715188 -0.038230\n7.247355 0.000000 0.000000\n0.000000 -0.821231 -11.567006\nRb Lu O\n12 4 12\ndirect\n0.359093 0.335172 0.923294 Rb\n0.937249 0.622173 0.842004 Rb\n0.377200 0.806614 0.810434 Rb\n0.622801 0.306614 0.689567 Rb\n0.062751 0.122173 0.657996 Rb\n0.640908 0.835172 0.576706 Rb\n0.359093 0.164829 0.423294 Rb\n0.937249 0.877828 0.342004 Rb\n0.377200 0.693387 0.310434 Rb\n0.622801 0.193386 0.189567 Rb\n0.062751 0.377828 0.157996 Rb\n0.640907 0.664829 0.076706 Rb\n0.157915 0.910453 0.069328 Lu\n0.842085 0.410452 0.430672 Lu\n0.157915 0.589548 0.569328 Lu\n0.842085 0.089548 0.930673 Lu\n0.747228 0.353402 0.951970 O\n0.113454 0.049941 0.907946 O\n0.700987 0.946728 0.804212 O\n0.299014 0.446728 0.695788 O\n0.886546 0.549941 0.592054 O\n0.252772 0.853402 0.548031 O\n0.747228 0.146598 0.451969 O\n0.113454 0.450059 0.407946 O\n0.700987 0.553273 0.304212 O\n0.299014 0.053272 0.195788 O\n0.886546 0.950060 0.092054 O\n0.252772 0.646599 0.048031 O\n",
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],
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"formula_full": "Rb12 Lu4 O12",
"formula_reduced": "Rb3LuO3",
"formula_anonymous": "AB3C3",
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"spacegroup": 14
}
]
}