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{
"id": "jvasp-29495",
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"structure_string": "Cu4 As8 S6 Cl4\n1.0\n6.075829 0.000000 -1.380195\n0.000000 7.012626 0.000000\n0.022249 0.000000 11.775958\nCu As S Cl\n4 8 6 4\ndirect\n0.442296 0.971442 0.812021 Cu\n0.557705 0.028558 0.187978 Cu\n0.442296 0.528558 0.812021 Cu\n0.557705 0.471442 0.187978 Cu\n0.735203 0.068782 0.604641 As\n0.988232 0.250000 0.899480 As\n0.735203 0.431218 0.604641 As\n0.076387 0.250000 0.590949 As\n0.923613 0.750000 0.409050 As\n0.264797 0.568782 0.395358 As\n0.011768 0.750000 0.100520 As\n0.264797 0.931218 0.395358 As\n0.197396 0.003152 0.199956 S\n0.802605 0.503152 0.800044 S\n0.197396 0.496849 0.199956 S\n0.257080 0.250000 0.785406 S\n0.742920 0.750000 0.214594 S\n0.802605 -0.003152 0.800044 S\n0.386764 0.750000 0.949012 Cl\n0.290152 0.750000 0.645145 Cl\n0.613236 0.250000 0.050988 Cl\n0.709848 0.250000 0.354855 Cl\n",
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{
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{
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"structure_string": "Cu1 B1 C4 N4\n1.0\n5.409524 -0.000000 0.000000\n0.000000 5.409524 -0.000000\n0.000000 -0.000000 5.409524\nCu B C N\n1 1 4 4\ndirect\n0.500000 0.500000 0.500000 Cu\n0.000000 0.000000 0.000000 B\n0.830918 0.169081 0.169081 C\n0.830918 0.830918 0.830918 C\n0.169081 0.169081 0.830918 C\n0.169081 0.830918 0.169081 C\n0.707055 0.707055 0.707055 N\n0.707055 0.292944 0.292944 N\n0.292944 0.292944 0.707055 N\n0.292944 0.707055 0.292944 N\n",
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{
"id": "jvasp-12138",
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"updated_at": "2022-09-04T14:37:00.228593Z",
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{
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"updated_at": "2022-09-04T14:37:51.438280Z",
"structure_string": "Cu4 Bi4 Pb4 S12\n1.0\n4.061060 -0.000000 0.000000\n0.000000 11.312553 0.000000\n0.000000 0.000000 11.825295\nCu Bi Pb S\n4 4 4 12\ndirect\n0.750000 0.793221 0.765703 Cu\n0.750000 0.706778 0.265703 Cu\n0.250000 0.293221 0.734296 Cu\n0.250000 0.206778 0.234296 Cu\n0.750000 0.319520 0.988135 Bi\n0.250000 0.819520 0.511865 Bi\n0.250000 0.680480 0.011865 Bi\n0.750000 0.180480 0.488135 Bi\n0.750000 0.986955 0.168402 Pb\n0.250000 0.486955 0.331598 Pb\n0.250000 0.013045 0.831598 Pb\n0.750000 0.513045 0.668402 Pb\n0.250000 0.143433 0.047060 S\n0.250000 0.444924 0.878999 S\n0.750000 0.201710 0.787217 S\n0.250000 0.055076 0.378999 S\n0.750000 0.944924 0.621000 S\n0.250000 0.356567 0.547060 S\n0.250000 0.798289 0.212783 S\n0.750000 0.298289 0.287217 S\n0.250000 0.701710 0.712782 S\n0.750000 0.555076 0.121000 S\n0.750000 0.856567 0.952939 S\n0.750000 0.643433 0.452939 S\n",
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{
"id": "jvasp-29391",
"created_at": "2022-09-04T14:38:01.996676Z",
"updated_at": "2022-09-04T14:38:01.996696Z",
"structure_string": "Cu2 Bi2 S2 Cl4\n1.0\n4.059917 0.000000 0.000000\n-2.029959 6.398718 0.000000\n0.000000 0.000000 8.509328\nCu Bi S Cl\n2 2 2 4\ndirect\n0.000000 0.000000 0.000000 Cu\n0.000000 0.000000 0.500000 Cu\n0.707403 0.414806 0.250000 Bi\n0.292597 0.585194 0.750000 Bi\n0.935219 0.870438 0.750000 S\n0.064781 0.129562 0.250000 S\n0.351317 0.702634 0.064358 Cl\n0.351317 0.702634 0.435642 Cl\n0.648683 0.297367 0.935642 Cl\n0.648683 0.297367 0.564358 Cl\n",
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{
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"created_at": "2022-09-04T14:35:54.735780Z",
"updated_at": "2022-09-04T14:35:54.735799Z",
"structure_string": "Cu2 Bi4 Se8 O24\n1.0\n7.213546 0.000000 0.000000\n0.000000 7.680633 -2.921817\n0.000000 -0.013448 10.666387\nCu Bi Se O\n2 4 8 24\ndirect\n0.000000 0.000000 0.000000 Cu\n0.500000 0.500000 -0.000000 Cu\n0.131006 0.260619 0.406866 Bi\n0.631006 0.239381 0.593134 Bi\n0.868995 0.739381 0.593134 Bi\n0.368994 0.760618 0.406866 Bi\n0.335451 0.884832 0.131041 Se\n0.829932 0.857813 0.307008 Se\n0.670068 0.357813 0.307008 Se\n0.164549 0.384832 0.131041 Se\n0.329932 0.642186 0.692992 Se\n0.835451 0.615167 0.868959 Se\n0.170068 0.142186 0.692992 Se\n0.664550 0.115167 0.868959 Se\n0.115654 0.935838 0.685946 O\n0.374505 0.323598 0.049500 O\n0.384346 0.435838 0.685946 O\n0.007700 0.197139 0.595474 O\n0.992301 0.802860 0.404526 O\n0.507700 0.302861 0.404526 O\n0.386934 0.684930 0.149511 O\n0.647114 0.918357 0.425249 O\n0.613066 0.315069 0.850488 O\n0.886935 0.815069 0.850488 O\n0.625495 0.676401 0.950500 O\n0.781461 0.520638 0.701651 O\n0.718539 0.020638 0.701651 O\n0.884346 0.064161 0.314054 O\n0.113066 0.184930 0.149512 O\n0.352887 0.081642 0.574750 O\n0.218539 0.479361 0.298349 O\n0.125495 0.823598 0.049499 O\n0.492300 0.697139 0.595474 O\n0.852887 0.418357 0.425250 O\n0.147114 0.581642 0.574750 O\n0.281461 0.979361 0.298349 O\n0.874506 0.176402 0.950500 O\n0.615654 0.564161 0.314053 O\n",
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{
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"created_at": "2022-09-04T14:37:17.150822Z",
"updated_at": "2022-09-04T14:37:17.150842Z",
"structure_string": "Cu2 Bi2 Se2 O2\n1.0\n3.953099 0.000000 0.000000\n0.000000 3.953099 0.000000\n0.000000 0.000000 9.082222\nCu Bi Se O\n2 2 2 2\ndirect\n0.000000 0.000000 0.500000 Cu\n0.500000 0.500000 0.500000 Cu\n0.000000 0.500000 0.860126 Bi\n0.500000 0.000000 0.139874 Bi\n0.500000 0.000000 0.675102 Se\n0.000000 0.500000 0.324897 Se\n0.500000 0.500000 0.000000 O\n0.000000 0.000000 0.000000 O\n",
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},
{
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"created_at": "2022-09-04T14:37:46.157111Z",
"updated_at": "2022-09-04T14:37:46.157122Z",
"structure_string": "Cu1 Bi1 W2 O8\n1.0\n5.053386 0.011524 0.005820\n-2.375638 5.625630 -0.022274\n-0.185695 -2.294140 5.734487\nCu Bi W O\n1 1 2 8\ndirect\n0.861250 0.901091 0.788304 Cu\n0.361617 0.901345 0.288719 Bi\n0.116876 0.422746 0.620739 W\n0.606262 0.379907 0.956672 W\n0.329941 0.211284 0.626137 O\n0.823776 0.198553 0.810930 O\n0.361689 0.648599 0.512166 O\n0.857401 0.628456 0.217826 O\n0.865908 0.174283 0.359497 O\n0.393119 0.591327 0.951339 O\n0.899271 0.604044 0.766357 O\n0.361684 0.154164 0.065420 O\n",
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{
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"structure_string": "Cu1 Bi1 W2 O8\n1.0\n5.053391 0.013210 0.004340\n-2.377349 5.624807 -0.019624\n-0.183303 -2.295863 5.733900\nCu Bi W O\n1 1 2 8\ndirect\n0.861416 0.901204 0.788505 Cu\n0.361596 0.901334 0.288697 Bi\n0.116874 0.422727 0.620718 W\n0.606265 0.379918 0.956659 W\n0.329965 0.211272 0.626126 O\n0.823804 0.198566 0.810970 O\n0.361592 0.648510 0.512046 O\n0.857370 0.628451 0.217808 O\n0.865850 0.174241 0.359523 O\n0.393131 0.591351 0.951285 O\n0.899282 0.604041 0.766346 O\n0.361659 0.154192 0.065423 O\n",
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{
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"created_at": "2022-09-04T14:37:06.457848Z",
"updated_at": "2022-09-04T14:37:06.457874Z",
"structure_string": "Cu2 C2 Cl2 O2\n1.0\n3.631120 0.000000 0.000000\n0.000000 4.916052 0.000000\n0.000000 0.000000 8.092151\nCu C Cl O\n2 2 2 2\ndirect\n0.500000 0.501451 0.148287 Cu\n0.000000 0.001451 0.851713 Cu\n0.000000 0.216680 0.669731 C\n0.500000 0.716680 0.330269 C\n0.000000 0.190722 0.120952 Cl\n0.500000 0.690722 0.879048 Cl\n0.000000 0.346546 0.551661 O\n0.500000 0.846546 0.448339 O\n",
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"formula_full": "Cu2 C2 Cl2 O2",
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},
{
"id": "jvasp-53273",
"created_at": "2022-09-04T14:38:29.351271Z",
"updated_at": "2022-09-04T14:38:29.351301Z",
"structure_string": "Cu2 C2 S2 N2\n1.0\n3.783844 0.019096 10.583023\n1.850763 3.300381 10.583023\n0.032415 0.019096 11.239074\nCu C S N\n2 2 2 2\ndirect\n0.000838 0.000838 0.000838 Cu\n0.500837 0.500839 0.500837 Cu\n0.093603 0.093603 0.093603 C\n0.593602 0.593604 0.593603 C\n0.143791 0.143791 0.143791 S\n0.643790 0.643792 0.643790 S\n0.558107 0.558109 0.558108 N\n0.058108 0.058108 0.058108 N\n",
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]
}