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{
"id": "jvasp-22575",
"created_at": "2022-09-04T14:37:02.506626Z",
"updated_at": "2022-09-04T14:37:02.506648Z",
"structure_string": "Si4 O8\n1.0\n5.067789 -0.052535 -0.000000\n-2.579253 4.362648 -0.000000\n0.000000 -0.000000 8.330201\nSi O\n4 8\ndirect\n0.340426 0.668654 0.062796 Si\n0.668654 0.340425 0.562796 Si\n0.340426 0.668654 0.437204 Si\n0.668654 0.340425 0.937204 Si\n0.611916 0.611916 0.000000 O\n0.460057 0.033576 0.454433 O\n0.567796 0.256948 0.750000 O\n0.033577 0.460057 0.545567 O\n0.256948 0.567796 0.250000 O\n0.033577 0.460057 0.954433 O\n0.611916 0.611916 0.500000 O\n0.460057 0.033576 0.045567 O\n",
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{
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"formula_full": "Rb2 V2 Cu4 S8",
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{
"id": "jvasp-10882",
"created_at": "2022-09-04T14:37:10.192349Z",
"updated_at": "2022-09-04T14:37:10.192366Z",
"structure_string": "Rb2 Ta2 Cu4 Se8\n1.0\n5.492417 0.000000 -1.632860\n-0.000000 7.752893 0.000000\n-0.001897 -0.000000 10.047416\nRb Ta Cu Se\n2 2 4 8\ndirect\n0.481915 0.250000 0.365657 Rb\n0.116258 0.750000 0.634343 Rb\n0.435987 0.250000 0.782833 Ta\n0.653154 0.750000 0.217168 Ta\n0.562491 0.500000 0.000000 Cu\n0.562491 0.000000 0.000000 Cu\n0.151244 0.750000 0.214111 Cu\n0.937134 0.250000 0.785889 Cu\n0.087129 0.250000 0.579315 Se\n0.299874 0.750000 0.006795 Se\n0.899114 0.006816 0.215753 Se\n0.683361 0.993184 0.784247 Se\n0.899114 0.493184 0.215753 Se\n0.683361 0.506816 0.784247 Se\n0.293079 0.250000 0.993205 Se\n0.507815 0.750000 0.420686 Se\n",
"nsites": 16,
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"density_atomic": 0.03739923196572504,
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{
"id": "jvasp-11426",
"created_at": "2022-09-04T14:37:10.807154Z",
"updated_at": "2022-09-04T14:37:10.807177Z",
"structure_string": "Sr2 Cu4 Ge2 Se8\n1.0\n6.307791 0.025871 -0.000000\n-2.869176 5.617538 0.000000\n0.000000 -0.000000 10.890757\nSr Cu Ge Se\n2 4 2 8\ndirect\n0.989044 0.989045 0.500000 Sr\n0.989044 0.989045 0.000000 Sr\n0.370795 0.804843 0.370077 Cu\n0.804842 0.370796 0.629923 Cu\n0.804842 0.370796 0.870077 Cu\n0.370795 0.804843 0.129923 Cu\n0.734726 0.438240 0.250000 Ge\n0.438240 0.734727 0.750000 Ge\n0.704464 0.807312 0.250000 Se\n0.807312 0.704464 0.750000 Se\n0.989684 0.477005 0.424395 Se\n0.477005 0.989685 0.575605 Se\n0.989684 0.477005 0.075605 Se\n0.477005 0.989685 0.924395 Se\n0.128283 0.330823 0.750000 Se\n0.330823 0.128283 0.250000 Se\n",
"nsites": 16,
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{
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"created_at": "2022-09-04T14:37:12.132959Z",
"updated_at": "2022-09-04T14:37:12.132984Z",
"structure_string": "Cr2 O6\n1.0\n0.000000 4.772452 0.000579\n5.760360 0.000000 0.000000\n0.000000 -2.384584 -4.207474\nCr O\n2 6\ndirect\n0.405071 0.500000 0.796016 Cr\n0.609033 0.000000 0.203987 Cr\n0.293441 0.000000 0.235710 O\n0.914387 0.000000 0.551966 O\n0.362519 0.500000 0.448001 O\n0.057810 0.500000 0.764387 O\n0.619869 0.249994 -0.000036 O\n0.619869 0.750006 -0.000036 O\n",
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"density_atomic": 0.0691683177973235,
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{
"id": "jvasp-10968",
"created_at": "2022-09-04T14:37:16.190470Z",
"updated_at": "2022-09-04T14:37:16.190499Z",
"structure_string": "Ba2 Cu4 Sn2 Se8\n1.0\n6.598532 0.018804 0.000000\n-3.080420 5.835409 0.000000\n0.000000 0.000000 11.212079\nBa Cu Sn Se\n2 4 2 8\ndirect\n0.632474 0.632474 0.500000 Ba\n0.632474 0.632474 0.000000 Ba\n0.446708 0.010325 0.129493 Cu\n0.446708 0.010325 0.370507 Cu\n0.010325 0.446709 0.629493 Cu\n0.010325 0.446709 0.870508 Cu\n0.077088 0.376936 0.250000 Sn\n0.376936 0.077088 0.750000 Sn\n0.323558 0.445730 0.750000 Se\n0.746012 0.963209 0.250000 Se\n0.445730 0.323558 0.250000 Se\n0.963209 0.746012 0.750000 Se\n0.643692 0.130161 0.931170 Se\n0.130162 0.643692 0.068830 Se\n0.643692 0.130161 0.568830 Se\n0.130162 0.643692 0.431170 Se\n",
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{
"id": "jvasp-10464",
"created_at": "2022-09-04T14:37:16.194780Z",
"updated_at": "2022-09-04T14:37:16.194805Z",
"structure_string": "K2 V2 Cu4 Se8\n1.0\n5.351633 -0.000000 -1.611327\n-0.000000 7.598991 -0.000000\n-0.004577 0.000000 9.677538\nK V Cu Se\n2 2 4 8\ndirect\n0.804226 0.750000 0.632517 K\n0.171709 0.250000 0.367482 K\n0.859805 0.750000 0.219575 V\n0.640229 0.250000 0.780425 V\n0.729910 0.500000 -0.000000 Cu\n0.729910 0.000000 -0.000000 Cu\n0.140354 0.250000 0.778982 Cu\n0.361372 0.750000 0.221017 Cu\n0.399687 -0.003138 0.775500 Se\n0.624188 0.496862 0.224500 Se\n0.001839 0.750000 0.009946 Se\n0.624188 0.003138 0.224500 Se\n0.769818 0.250000 0.575281 Se\n0.194537 0.750000 0.424719 Se\n0.991892 0.250000 0.990054 Se\n0.399687 0.503137 0.775500 Se\n",
"nsites": 16,
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{
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"created_at": "2022-09-04T14:37:19.233161Z",
"updated_at": "2022-09-04T14:37:19.233184Z",
"structure_string": "Ta2 Tl2 Cu4 S8\n1.0\n5.303715 0.000000 -1.619082\n0.000000 7.380482 0.000000\n0.013787 -0.000000 9.541542\nTa Tl Cu S\n2 2 4 8\ndirect\n0.389828 0.250000 0.772958 Ta\n0.616870 0.750000 0.227042 Ta\n0.449859 0.250000 0.364122 Tl\n0.085737 0.750000 0.635878 Tl\n0.111836 0.750000 0.216845 Cu\n0.526681 0.000000 0.000000 Cu\n0.894992 0.250000 0.783156 Cu\n0.526681 0.500000 0.000000 Cu\n0.638474 0.503791 0.782260 S\n0.856215 0.496209 0.217741 S\n0.638474 -0.003791 0.782260 S\n0.856215 0.003791 0.217741 S\n0.038874 0.250000 0.573619 S\n0.272614 0.750000 0.015208 S\n0.257408 0.250000 0.984792 S\n0.465256 0.750000 0.426382 S\n",
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"density_atomic": 0.04281983464217412,
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{
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"created_at": "2022-09-04T14:37:39.775636Z",
"updated_at": "2022-09-04T14:37:39.775665Z",
"structure_string": "Ba2 Cu2 Te4 O14\n1.0\n5.557823 0.000000 0.000000\n0.000000 6.608996 -3.090345\n0.000000 0.006773 8.626642\nBa Cu Te O\n2 2 4 14\ndirect\n0.250000 0.216614 0.416675 Ba\n0.750000 0.799938 0.583325 Ba\n0.250000 0.633584 0.269270 Cu\n0.750000 0.364314 0.730730 Cu\n0.750000 0.326139 0.155965 Te\n0.750000 0.822430 0.141866 Te\n0.250000 0.680564 0.858135 Te\n0.250000 0.170175 0.844035 Te\n0.497831 0.162566 0.683583 O\n0.993149 0.548274 0.707460 O\n0.506850 0.548274 0.707460 O\n0.750000 0.141764 0.271491 O\n0.006851 0.840815 0.292541 O\n0.493149 0.840815 0.292541 O\n0.502168 0.478984 0.316418 O\n0.500000 0.135049 0.000000 O\n0.750000 0.498718 0.035208 O\n0.250000 0.870273 0.728509 O\n0.997831 0.478984 0.316418 O\n0.250000 0.463512 0.964793 O\n0.002168 0.162566 0.683583 O\n0.000000 0.135049 0.000000 O\n",
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{
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"created_at": "2022-09-04T14:37:41.020345Z",
"updated_at": "2022-09-04T14:37:41.020368Z",
"structure_string": "Ba2 Mg2 Te4 O14\n1.0\n-5.639366 0.000000 -0.000000\n-0.000000 -0.000000 7.382860\n0.000000 7.637506 3.691431\nBa Mg Te O\n2 2 4 14\ndirect\n0.750002 0.664744 0.415362 Ba\n0.250000 0.080104 0.584640 Ba\n0.750002 0.239382 0.238176 Mg\n0.250000 0.477557 0.761825 Mg\n0.250000 0.554655 0.146574 Te\n0.250000 0.031818 0.157273 Te\n0.750002 0.189092 0.842726 Te\n0.750002 0.701228 0.853427 Te\n0.493244 0.704332 0.711747 O\n0.006757 0.704332 0.711747 O\n0.994952 0.338970 0.686322 O\n0.505050 0.338970 0.686322 O\n0.494952 0.025289 0.313679 O\n0.005049 0.025289 0.313679 O\n0.250000 0.323260 0.026178 O\n0.506756 0.416079 0.288253 O\n0.250000 0.730403 0.277714 O\n0.750002 0.008117 0.722287 O\n0.500000 0.991050 0.000000 O\n0.000000 0.991050 0.000000 O\n0.993244 0.416079 0.288253 O\n0.750002 0.349439 0.973822 O\n",
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{
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"created_at": "2022-09-04T14:37:49.857757Z",
"updated_at": "2022-09-04T14:37:49.857781Z",
"structure_string": "Ga4 Pb2 O8\n1.0\n5.311511 -0.000868 0.001281\n-2.655009 4.722088 0.013906\n-0.002283 -0.026580 8.632893\nGa Pb O\n4 2 8\ndirect\n0.293221 0.656105 0.058647 Ga\n0.293737 0.657113 0.454222 Ga\n0.639878 0.349414 0.954269 Ga\n0.640371 0.350418 0.558610 Ga\n0.981257 0.955115 0.256183 Pb\n0.029302 0.051506 0.756178 Pb\n0.323301 0.002665 0.006309 O\n0.995557 0.364305 0.946225 O\n0.634605 0.642385 0.446327 O\n0.323965 0.003981 0.506024 O\n-0.003703 0.365903 0.567067 O\n0.129633 0.616097 0.256479 O\n0.516640 0.390015 0.756483 O\n0.633737 0.640776 0.066977 O\n",
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"volume": 216.50740804988928,
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{
"id": "jvasp-40189",
"created_at": "2022-09-04T14:38:01.249438Z",
"updated_at": "2022-09-04T14:38:01.249467Z",
"structure_string": "Ca4 Sn2 S8\n1.0\n0.000000 5.022217 -3.497761\n0.000000 -5.022217 -3.497761\n-9.726222 0.000000 0.000000\nCa Sn S\n4 2 8\ndirect\n0.140387 0.524809 0.250000 Ca\n0.524809 0.140387 0.750000 Ca\n0.796083 0.796083 0.500000 Ca\n0.796083 0.796083 0.000000 Ca\n0.541534 0.097955 0.250000 Sn\n0.097955 0.541534 0.750000 Sn\n0.925167 0.051911 0.250000 S\n0.051911 0.925167 0.750000 S\n0.618052 0.510241 0.250000 S\n0.510241 0.618052 0.750000 S\n0.347874 0.880383 0.448958 S\n0.880383 0.347874 0.551041 S\n0.347874 0.880383 0.051041 S\n0.880383 0.347874 0.948958 S\n",
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"formula_full": "Ca4 Sn2 S8",
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}
]
}