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{
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{
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"formula_full": "Bi26 O39",
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{
"id": "mp-1103830",
"created_at": "2022-09-04T14:48:21.054441Z",
"structure_string": "Zn4 Sn2 O8\n1.0\n0.000000 4.383889 4.383889\n4.383889 0.000000 4.383889\n4.383889 4.383889 0.000000\nZn Sn O\n4 2 8\ndirect\n0.625000 0.125000 0.125000 Zn\n0.125000 0.625000 0.125000 Zn\n0.125000 0.125000 0.625000 Zn\n0.125000 0.125000 0.125000 Zn\n0.500000 0.500000 0.500000 Sn\n0.750000 0.750000 0.750000 Sn\n0.895716 0.368095 0.368095 O\n0.368095 0.895716 0.368095 O\n0.368095 0.368095 0.895716 O\n0.368095 0.368095 0.368095 O\n0.354284 0.881905 0.881905 O\n0.881905 0.354284 0.881905 O\n0.881905 0.881905 0.354284 O\n0.881905 0.881905 0.881905 O\n",
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"density": 6.1793594303645865,
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"volume": 168.50339037439284,
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"formula_full": "Zn4 Sn2 O8",
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"formula_anonymous": "AB2C4",
"energy": -77.98322236,
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{
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"created_at": "2022-09-04T14:48:21.060456Z",
"structure_string": "Rb1 Mg6 C1\n1.0\n4.214811 -7.490094 0.000000\n4.214811 7.490094 0.000000\n0.000000 0.000000 3.358759\nRb Mg C\n1 6 1\ndirect\n0.798425 0.201575 0.500000 Rb\n0.251251 0.133454 0.500000 Mg\n0.866546 0.748749 0.500000 Mg\n0.255713 0.435605 0.000000 Mg\n0.564395 0.744287 0.000000 Mg\n0.574816 0.425184 0.000000 Mg\n0.210510 0.789490 0.000000 Mg\n0.478349 0.521651 0.500000 C\n",
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"density": 1.9051631250488494,
"density_atomic": 0.037723829668985784,
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"formula_full": "Rb1 Mg6 C1",
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{
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"created_at": "2022-09-04T14:48:21.104152Z",
"structure_string": "Mn12 O2 F22\n1.0\n16.214164 0.000000 0.000000\n0.000000 4.964197 0.000000\n0.000000 0.091870 5.887149\nMn O F\n12 2 22\ndirect\n0.415292 0.254355 0.923549 Mn\n0.249490 0.241512 0.579305 Mn\n0.088123 0.230664 0.934736 Mn\n0.744467 0.236377 0.916004 Mn\n0.585350 0.240039 0.604970 Mn\n0.919769 0.257941 0.583708 Mn\n0.588123 0.769336 0.065264 Mn\n0.915292 0.745645 0.076451 Mn\n0.419769 0.742059 0.416292 Mn\n0.244467 0.763623 0.083996 Mn\n0.085350 0.759961 0.395030 Mn\n0.749490 0.758488 0.420695 Mn\n0.634783 0.039901 0.837927 O\n0.134783 0.960099 0.162073 O\n0.308247 0.016308 0.854718 F\n0.974149 0.030806 0.859757 F\n0.138298 0.008380 0.644004 F\n0.475256 0.030270 0.637260 F\n0.810275 0.020218 0.642814 F\n0.310275 0.979782 0.357186 F\n0.474149 0.969194 0.140243 F\n0.638298 0.991620 0.355996 F\n0.808247 0.983692 0.145282 F\n0.975256 0.969730 0.362740 F\n0.024573 0.513811 0.142705 F\n0.356474 0.525318 0.144057 F\n0.532472 0.499815 0.373283 F\n0.188712 0.520390 0.369270 F\n0.859315 0.522140 0.358086 F\n0.694953 0.537555 0.135536 F\n0.359315 0.477860 0.641914 F\n0.856474 0.474682 0.855943 F\n0.194953 0.462445 0.864464 F\n0.032472 0.500185 0.626717 F\n0.524573 0.486189 0.857295 F\n0.688712 0.479610 0.630730 F\n",
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{
"id": "mp-781622",
"created_at": "2022-09-04T14:48:21.068303Z",
"structure_string": "Lu8 H24 O24\n1.0\n6.072582 0.000000 0.000000\n0.000000 10.418732 0.000000\n0.000000 9.853180 10.546309\nLu H O\n8 24 24\ndirect\n0.534093 0.169732 0.997997 Lu\n0.525488 0.663895 0.502165 Lu\n0.025488 0.336105 0.997835 Lu\n0.034093 0.830268 0.502003 Lu\n0.965907 0.169732 0.497997 Lu\n0.974512 0.663895 0.002165 Lu\n0.474512 0.336105 0.497835 Lu\n0.465907 0.830268 0.002003 Lu\n0.370099 0.702013 0.298732 H\n0.207003 0.920968 0.113335 H\n0.148751 0.229942 0.868857 H\n0.927739 0.698814 0.393686 H\n0.224691 0.494997 0.707893 H\n0.846020 0.986867 0.199594 H\n0.724691 0.505003 0.792107 H\n0.346020 0.013133 0.300406 H\n0.648751 0.770058 0.631143 H\n0.427739 0.301186 0.106314 H\n0.129901 0.702013 0.798732 H\n0.707003 0.079032 0.386665 H\n0.292997 0.920968 0.613335 H\n0.870099 0.297987 0.201268 H\n0.572261 0.698814 0.893686 H\n0.351249 0.229942 0.368857 H\n0.653980 0.986867 0.699594 H\n0.275309 0.494997 0.207893 H\n0.153980 0.013133 0.800406 H\n0.775309 0.505003 0.292107 H\n0.072261 0.301186 0.606314 H\n0.851249 0.770058 0.131143 H\n0.792997 0.079032 0.886665 H\n0.629901 0.297987 0.701268 H\n0.614518 0.390549 0.608912 O\n0.363176 0.909567 0.106508 O\n0.221266 0.295004 0.885868 O\n0.848869 0.776825 0.397025 O\n0.230832 0.595401 0.615615 O\n0.844561 0.080926 0.106760 O\n0.730832 0.404599 0.884385 O\n0.721266 0.704996 0.614132 O\n0.344561 0.919074 0.393240 O\n0.348869 0.223175 0.102975 O\n0.114518 0.609451 0.891088 O\n0.863176 0.090433 0.393492 O\n0.136824 0.909567 0.606508 O\n0.885482 0.390549 0.108912 O\n0.651131 0.776825 0.897025 O\n0.655439 0.080926 0.606760 O\n0.278734 0.295004 0.385868 O\n0.269168 0.595401 0.115615 O\n0.155439 0.919074 0.893240 O\n0.769168 0.404599 0.384385 O\n0.151131 0.223175 0.602975 O\n0.778734 0.704996 0.114132 O\n0.636824 0.090433 0.893492 O\n0.385482 0.609451 0.391088 O\n",
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{
"id": "mp-1197711",
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"structure_string": "Si1 W12 C16 N4 O40\n1.0\n-7.107917 7.107917 6.356453\n7.107917 -7.107917 6.356453\n7.107917 7.107917 -6.356453\nSi W C N O\n1 12 16 4 40\ndirect\n0.000000 0.000000 0.000000 Si\n0.550049 0.809664 0.964055 W\n0.845610 0.585995 0.035945 W\n0.414005 0.449951 0.259615 W\n0.190336 0.154390 0.740385 W\n0.744831 0.811204 0.212699 W\n0.598505 0.532132 0.787301 W\n0.467868 0.255169 0.066373 W\n0.188796 0.401495 0.933627 W\n0.460881 0.762799 0.206480 W\n0.556318 0.254401 0.793520 W\n0.745599 0.539119 0.301918 W\n0.237201 0.443682 0.698082 W\n0.113642 0.946593 0.948766 C\n0.997827 0.164876 0.051234 C\n0.835124 0.886358 0.832951 C\n0.053407 0.002173 0.167049 C\n0.243472 0.960030 0.972038 C\n0.987992 0.271434 0.027962 C\n0.728566 0.756528 0.716558 C\n0.039970 0.012008 0.283442 C\n0.115027 0.835330 0.871534 C\n0.963796 0.243493 0.128466 C\n0.756507 0.884973 0.720302 C\n0.164670 0.036204 0.279698 C\n0.011520 0.598327 0.684090 C\n0.914238 0.327430 0.315910 C\n0.672570 0.988480 0.586807 C\n0.401672 0.085762 0.413193 C\n0.048427 0.708522 0.770126 N\n0.938396 0.278301 0.229874 N\n0.721699 0.951573 0.660095 N\n0.291478 0.061604 0.339905 N\n0.570216 0.931635 0.905387 O\n0.026248 0.664829 0.094613 O\n0.335171 0.429784 0.361419 O\n0.068365 0.973752 0.638581 O\n0.965541 0.995130 0.340630 O\n0.654500 0.624911 0.659370 O\n0.375089 0.034459 0.029589 O\n0.004870 0.345500 0.970411 O\n0.400095 0.845343 0.292250 O\n0.553093 0.107845 0.707750 O\n0.892155 0.599905 0.445248 O\n0.154657 0.446907 0.554752 O\n0.834332 0.744875 0.124440 O\n0.620435 0.709892 0.875560 O\n0.290108 0.165668 0.910543 O\n0.255125 0.379565 0.089457 O\n0.364205 0.643020 0.827228 O\n0.815791 0.536977 0.172772 O\n0.463023 0.635795 0.278814 O\n0.356980 0.184209 0.721186 O\n0.742338 0.921685 0.116549 O\n0.805136 0.625789 0.883451 O\n0.374211 0.257662 0.179347 O\n0.078315 0.194864 0.820653 O\n0.771437 0.717769 0.314507 O\n0.403262 0.456929 0.685493 O\n0.543071 0.228563 0.946332 O\n0.282231 0.596738 0.053668 O\n0.477210 0.847228 0.086097 O\n0.761132 0.391113 0.913903 O\n0.608887 0.522790 0.370018 O\n0.152772 0.238868 0.629982 O\n0.669561 0.887307 0.314092 O\n0.573215 0.355469 0.685908 O\n0.644531 0.330439 0.217746 O\n0.112693 0.426785 0.782254 O\n0.562654 0.676542 0.083819 O\n0.592723 0.478835 0.916181 O\n0.521165 0.437346 0.113888 O\n0.323458 0.407277 0.886112 O\n",
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{
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