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{
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{
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"structure_string": "Bi4 Te14 Cl16\n1.0\n5.598708 0.000000 0.000000\n-1.524775 13.467060 0.000000\n-1.415844 -3.891916 14.956024\nBi Te Cl\n4 14 16\ndirect\n0.794312 0.258938 0.277282 Bi\n0.210185 0.743919 0.728081 Bi\n0.903293 0.594789 0.388717 Bi\n0.086725 0.409352 0.609039 Bi\n0.812776 0.981825 0.559624 Te\n0.191134 0.020328 0.435618 Te\n0.458924 0.807500 0.166168 Te\n0.528183 0.190363 0.830696 Te\n0.168042 0.958790 0.154063 Te\n0.833617 0.046963 0.849877 Te\n0.771973 0.835177 0.033090 Te\n0.223183 0.160005 0.964219 Te\n0.053607 0.651357 0.049125 Te\n0.944420 0.353057 0.955625 Te\n0.350859 0.490790 0.071079 Te\n0.652696 0.509525 0.934076 Te\n0.556181 0.143792 0.561645 Te\n0.437808 0.854638 0.439019 Te\n0.799610 0.155224 0.113790 Cl\n0.202986 0.844621 0.888208 Cl\n0.345142 0.275598 0.229088 Cl\n0.651344 0.722083 0.769283 Cl\n0.911314 0.451166 0.225020 Cl\n0.092690 0.553563 0.775669 Cl\n0.842375 0.741731 0.535037 Cl\n0.159444 0.263894 0.463518 Cl\n0.729368 0.426353 0.443727 Cl\n0.273844 0.579588 0.561650 Cl\n0.478134 0.601599 0.329158 Cl\n0.534148 0.396313 0.672246 Cl\n0.017768 0.754438 0.312549 Cl\n0.994422 0.245515 0.688329 Cl\n0.352811 0.921760 0.690779 Cl\n0.650819 0.079969 0.306142 Cl\n",
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"formula_full": "Bi4 Te14 Cl16",
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"spacegroup": 1
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{
"id": "mp-728170",
"created_at": "2022-09-04T14:40:25.723321Z",
"structure_string": "Rb8 Cr4 H8 Cl20 O4\n1.0\n7.346149 0.000000 0.000000\n0.000000 9.843699 0.000000\n0.000000 0.000000 14.195919\nRb Cr H Cl O\n8 4 8 20 4\ndirect\n0.346938 0.998962 0.645140 Rb\n0.153062 0.501038 0.145140 Rb\n0.653062 0.498962 0.354860 Rb\n0.846938 0.001038 0.854860 Rb\n0.653062 0.001038 0.354860 Rb\n0.846938 0.498962 0.854860 Rb\n0.346938 0.501038 0.645140 Rb\n0.153062 0.998962 0.145140 Rb\n0.808904 0.250000 0.611258 Cr\n0.691096 0.250000 0.111258 Cr\n0.191096 0.750000 0.388742 Cr\n0.308904 0.750000 0.888742 Cr\n0.041330 0.168469 0.470979 H\n0.458670 0.331531 0.970979 H\n0.958670 0.668469 0.529021 H\n0.541330 0.831531 0.029021 H\n0.958670 0.831531 0.529021 H\n0.541330 0.668469 0.029021 H\n0.041330 0.331531 0.470979 H\n0.458670 0.168469 0.970979 H\n0.063497 0.250000 0.715270 Cl\n0.436503 0.250000 0.215270 Cl\n0.936503 0.750000 0.284730 Cl\n0.563497 0.750000 0.784730 Cl\n0.548158 0.250000 0.508845 Cl\n0.951842 0.250000 0.008845 Cl\n0.451842 0.750000 0.491155 Cl\n0.048158 0.750000 0.991155 Cl\n0.609825 0.250000 0.742390 Cl\n0.890175 0.250000 0.242390 Cl\n0.390175 0.750000 0.257610 Cl\n0.109825 0.750000 0.757610 Cl\n0.819241 0.007101 0.603667 Cl\n0.680759 0.492899 0.103667 Cl\n0.180759 0.507101 0.396333 Cl\n0.319241 0.992899 0.896333 Cl\n0.180759 0.992899 0.396333 Cl\n0.319241 0.507101 0.896333 Cl\n0.819241 0.492899 0.603667 Cl\n0.680759 0.007101 0.103667 Cl\n0.978232 0.250000 0.493684 O\n0.521768 0.250000 0.993684 O\n0.021768 0.750000 0.506316 O\n0.478232 0.750000 0.006316 O\n",
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"formula_full": "Rb8 Cr4 H8 Cl20 O4",
"formula_reduced": "Rb2CrH2Cl5O",
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{
"id": "mp-541331",
"created_at": "2022-09-04T14:40:25.719042Z",
"structure_string": "Sr4 Pr2 Ga2 Cu4 O14\n1.0\n-2.739893 2.804020 11.660605\n2.739893 -2.804020 11.660605\n2.739893 2.804020 -11.660605\nSr Pr Ga Cu O\n4 2 2 4 14\ndirect\n0.172441 0.650937 0.517475 Sr\n0.827559 0.345034 0.478496 Sr\n0.633462 0.150937 0.478496 Sr\n0.366538 0.845034 0.517475 Sr\n0.000000 0.500810 0.500810 Pr\n0.500000 0.000810 0.500810 Pr\n0.179172 0.214870 0.894043 Ga\n0.820828 0.714870 0.035698 Ga\n0.074691 0.077601 0.999999 Cu\n0.925309 0.925307 0.002910 Cu\n0.577603 0.577601 0.002910 Cu\n0.422397 0.425307 0.999999 Cu\n0.871233 0.366899 0.738132 O\n0.128767 0.866899 0.495666 O\n0.818144 0.320064 0.000226 O\n0.181856 0.182082 0.501920 O\n0.819839 0.820064 0.501920 O\n0.180161 0.682082 0.000226 O\n0.314460 0.816473 0.999206 O\n0.685540 0.684747 0.502013 O\n0.317266 0.316473 0.502013 O\n0.682734 0.184747 0.999206 O\n0.629369 0.708696 0.982644 O\n0.370631 0.353276 0.079327 O\n0.226052 0.208696 0.079327 O\n0.773948 0.853276 0.982644 O\n",
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"density": 5.792078677470541,
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"formula_full": "Sr4 Pr2 Ga2 Cu4 O14",
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{
"id": "mp-1284602",
"created_at": "2022-09-04T14:40:25.717918Z",
"structure_string": "Sr6 Nb2 Co2 O14\n1.0\n-3.973105 -3.973014 -0.000174\n-1.986412 1.986670 10.720358\n-3.972451 3.972304 0.000285\nSr Nb Co O\n6 2 2 14\ndirect\n0.999992 0.383519 0.308299 Sr\n0.499980 0.383546 0.808318 Sr\n0.500001 0.634518 0.182677 Sr\n0.999966 0.634484 0.682666 Sr\n0.499996 0.961898 0.019071 Sr\n0.999998 0.962163 0.518906 Sr\n0.499968 0.195017 0.402507 Nb\n0.999985 0.195012 0.902519 Nb\n0.000004 0.788551 0.105692 Co\n0.499979 0.788592 0.605703 Co\n0.500023 0.015946 0.491897 O\n0.999985 0.015927 0.991944 O\n0.000034 0.603023 0.198631 O\n0.500025 0.603064 0.698629 O\n0.500022 0.391131 0.304225 O\n0.000014 0.391112 0.804237 O\n0.763281 0.807870 0.859699 O\n0.236726 0.807872 0.332486 O\n0.736501 0.807779 0.359527 O\n0.263524 0.807799 0.832696 O\n0.749784 0.205304 0.647458 O\n0.250109 0.205304 0.147361 O\n0.750271 0.205298 0.147515 O\n0.249831 0.205268 0.647336 O\n",
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{
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"created_at": "2022-09-04T14:40:25.706158Z",
"structure_string": "Rb1 Mg6 W1 O8\n1.0\n9.066533 0.000000 0.000000\n0.000000 4.571621 0.000000\n0.000000 0.000000 4.571621\nRb Mg W O\n1 6 1 8\ndirect\n0.000000 -0.000000 -0.000000 Rb\n-0.000000 0.500000 0.500000 Mg\n0.500000 0.500000 0.500000 Mg\n0.236565 -0.000000 0.500000 Mg\n0.763435 0.000000 0.500000 Mg\n0.236565 0.500000 0.000000 Mg\n0.763435 0.500000 -0.000000 Mg\n0.500000 0.000000 -0.000000 W\n0.271126 -0.000000 -0.000000 O\n0.728874 0.000000 0.000000 O\n0.254172 0.500000 0.500000 O\n0.745828 0.500000 0.500000 O\n-0.000000 0.000000 0.500000 O\n0.500000 0.000000 0.500000 O\n-0.000000 0.500000 -0.000000 O\n0.500000 0.500000 -0.000000 O\n",
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{
"id": "mp-1025231",
"created_at": "2022-09-04T14:40:25.706032Z",
"structure_string": "Pr2 Cr1 S4\n1.0\n2.029910 6.869595 0.000000\n-2.029910 6.869595 0.000000\n0.000000 3.660473 6.179176\nPr Cr S\n2 1 4\ndirect\n0.711482 0.711482 0.292226 Pr\n0.288518 0.288518 0.707774 Pr\n0.000000 0.000000 0.000000 Cr\n0.891389 0.891389 0.393259 S\n0.108611 0.108611 0.606741 S\n0.631556 0.631556 0.992936 S\n0.368444 0.368444 0.007064 S\n",
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{
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"structure_string": "Th2 Ni2 N12 O52\n1.0\n8.681707 0.000000 0.000000\n0.000000 8.850995 0.000000\n0.000000 1.173697 12.559715\nTh Ni N O\n2 2 12 52\ndirect\n0.500000 0.000000 0.000000 Th\n0.000000 0.000000 0.500000 Th\n0.500000 0.500000 0.500000 Ni\n0.000000 0.500000 0.000000 Ni\n0.875146 0.796655 0.686825 N\n0.124854 0.203345 0.313175 N\n0.375146 0.203345 0.813175 N\n0.624854 0.796655 0.186825 N\n0.323177 0.961576 0.588691 N\n0.676823 0.038424 0.411309 N\n0.823177 0.038424 0.911309 N\n0.176823 0.961576 0.088691 N\n0.449122 0.713683 0.888711 N\n0.550878 0.286317 0.111289 N\n0.949122 0.286317 0.611289 N\n0.050878 0.713683 0.388711 N\n0.786059 0.858578 0.614654 O\n0.213941 0.141422 0.385346 O\n0.286059 0.141422 0.885346 O\n0.713941 0.858578 0.114654 O\n0.820873 0.704623 0.758244 O\n0.179127 0.295377 0.241756 O\n0.320873 0.295377 0.741756 O\n0.679127 0.704623 0.258244 O\n0.306043 0.512878 0.552550 O\n0.693957 0.487122 0.447450 O\n0.806043 0.487122 0.947450 O\n0.193957 0.512878 0.052550 O\n0.514041 0.710949 0.979564 O\n0.485959 0.289051 0.020436 O\n0.014041 0.289051 0.520436 O\n0.985959 0.710949 0.479564 O\n0.014940 0.661032 0.895321 O\n0.985060 0.338968 0.104679 O\n0.514940 0.338968 0.604679 O\n0.485060 0.661032 0.395321 O\n0.455445 0.951954 0.620714 O\n0.544555 0.048046 0.379286 O\n0.955445 0.048046 0.879286 O\n0.044555 0.951954 0.120714 O\n0.429067 0.590889 0.848063 O\n0.570933 0.409111 0.151937 O\n0.929067 0.409111 0.651937 O\n0.070933 0.590889 0.348063 O\n0.044458 0.429404 0.871167 O\n0.955542 0.570596 0.128833 O\n0.544458 0.570596 0.628833 O\n0.455542 0.429404 0.371167 O\n0.407535 0.841008 0.843385 O\n0.592465 0.158992 0.156615 O\n0.907535 0.158992 0.656615 O\n0.092465 0.841008 0.343385 O\n0.278059 0.604404 0.701187 O\n0.721941 0.395596 0.298813 O\n0.778059 0.395596 0.798813 O\n0.221941 0.604404 0.201187 O\n0.730747 0.930921 0.889983 O\n0.269253 0.069079 0.110017 O\n0.230747 0.069079 0.610017 O\n0.769253 0.930921 0.389983 O\n0.016903 0.832987 0.681756 O\n0.983097 0.167013 0.318244 O\n0.516903 0.167013 0.818244 O\n0.483097 0.832987 0.181756 O\n0.262439 0.864800 0.529775 O\n0.737561 0.135200 0.470225 O\n0.762439 0.135200 0.970225 O\n0.237561 0.864800 0.029775 O\n",
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{
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}