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{
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{
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{
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"structure_string": "Al16 Bi12 Se48\n1.0\n5.445728 -5.499069 0.000000\n5.445728 5.499069 0.000000\n0.000000 0.000000 38.723994\nAl Bi Se\n16 12 48\ndirect\n0.000000 0.500000 0.243292 Al\n0.000000 0.500000 0.914598 Al\n0.000000 0.500000 0.663489 Al\n0.000000 0.500000 0.994582 Al\n0.000000 0.500000 0.414598 Al\n0.000000 0.500000 0.743292 Al\n0.500000 0.000000 0.505418 Al\n0.500000 0.000000 0.836511 Al\n0.500000 0.000000 0.756708 Al\n0.500000 0.000000 0.085402 Al\n0.500000 0.000000 0.256708 Al\n0.500000 0.000000 0.585402 Al\n0.000000 0.500000 0.494582 Al\n0.000000 0.500000 0.163489 Al\n0.500000 0.000000 0.336511 Al\n0.500000 0.000000 0.005418 Al\n0.000000 0.000000 0.292497 Bi\n0.000000 0.000000 0.626133 Bi\n0.000000 0.000000 0.958679 Bi\n0.500000 0.500000 0.541321 Bi\n0.500000 0.500000 0.873867 Bi\n0.500000 0.500000 0.207503 Bi\n0.500000 0.500000 0.458679 Bi\n0.500000 0.500000 0.792497 Bi\n0.500000 0.500000 0.126133 Bi\n0.000000 0.000000 0.373867 Bi\n0.000000 0.000000 0.707503 Bi\n0.000000 0.000000 0.041321 Bi\n0.339781 0.179499 0.294971 Se\n0.346506 0.169784 0.625342 Se\n0.322205 0.208939 0.972902 Se\n0.291061 0.177795 0.472902 Se\n0.320501 0.160219 0.794971 Se\n0.330216 0.153494 0.125342 Se\n0.835593 0.320507 0.456362 Se\n0.819448 0.294116 0.776935 Se\n0.839685 0.329296 0.124293 Se\n0.660219 0.820501 0.294971 Se\n0.653494 0.830216 0.625342 Se\n0.677795 0.791061 0.972902 Se\n0.320507 0.835593 0.543638 Se\n0.329296 0.839685 0.875707 Se\n0.294116 0.819448 0.223065 Se\n0.169784 0.346506 0.374658 Se\n0.179499 0.339781 0.705029 Se\n0.208939 0.322205 0.027098 Se\n0.339685 0.829296 0.375707 Se\n0.319448 0.794116 0.723065 Se\n0.335593 0.820507 0.043638 Se\n0.794116 0.319448 0.276935 Se\n0.829296 0.339685 0.624293 Se\n0.820507 0.335593 0.956362 Se\n0.830216 0.653494 0.374658 Se\n0.820501 0.660219 0.705029 Se\n0.791061 0.677795 0.027098 Se\n0.679493 0.164407 0.543638 Se\n0.670704 0.160315 0.875707 Se\n0.705884 0.180552 0.223065 Se\n0.205884 0.680552 0.276935 Se\n0.170704 0.660315 0.624293 Se\n0.179493 0.664407 0.956362 Se\n0.708939 0.822205 0.472902 Se\n0.679499 0.839781 0.794971 Se\n0.669784 0.846506 0.125342 Se\n0.164407 0.679493 0.456362 Se\n0.180552 0.705884 0.776935 Se\n0.160315 0.670704 0.124293 Se\n0.822205 0.708939 0.527098 Se\n0.846506 0.669784 0.874658 Se\n0.839781 0.679499 0.205029 Se\n0.177795 0.291061 0.527098 Se\n0.153494 0.330216 0.874658 Se\n0.160219 0.320501 0.205029 Se\n0.660315 0.170704 0.375707 Se\n0.680552 0.205884 0.723065 Se\n0.664407 0.179493 0.043638 Se\n",
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{
"id": "mp-761745",
"created_at": "2022-09-04T14:40:15.673241Z",
"structure_string": "Sr2 Cd4 H32 Br12 O16\n1.0\n4.185701 0.000000 0.000000\n0.000000 8.733390 0.000000\n0.000000 0.000000 26.102467\nSr Cd H Br O\n2 4 32 12 16\ndirect\n0.500000 0.329951 0.000000 Sr\n0.000000 0.670049 0.500000 Sr\n0.035332 0.863323 0.193104 Cd\n0.535332 0.136677 0.306896 Cd\n0.464668 0.136677 0.693104 Cd\n0.964668 0.863323 0.806896 Cd\n0.909738 0.611178 0.025465 H\n0.498313 0.968916 0.029876 H\n0.966551 0.126656 0.067086 H\n0.274715 0.512960 0.091383 H\n0.969594 0.287035 0.095110 H\n0.594156 0.599968 0.093781 H\n0.200379 0.434240 0.172869 H\n0.881054 0.345893 0.177906 H\n0.381054 0.654107 0.322094 H\n0.700379 0.565760 0.327131 H\n0.094156 0.400032 0.406219 H\n0.469594 0.712965 0.404890 H\n0.774715 0.487040 0.408617 H\n0.466551 0.873344 0.432914 H\n0.998313 0.031084 0.470124 H\n0.409738 0.388822 0.474535 H\n0.590262 0.388822 0.525465 H\n0.001687 0.031084 0.529876 H\n0.533449 0.873344 0.567086 H\n0.225285 0.487040 0.591383 H\n0.530406 0.712965 0.595110 H\n0.905844 0.400032 0.593781 H\n0.299621 0.565760 0.672869 H\n0.618946 0.654107 0.677906 H\n0.118946 0.345893 0.822094 H\n0.799621 0.434240 0.827131 H\n0.405844 0.599968 0.906219 H\n0.030406 0.287035 0.904890 H\n0.725285 0.512960 0.908617 H\n0.033449 0.126656 0.932914 H\n0.501687 0.968916 0.970124 H\n0.090262 0.611178 0.974535 H\n0.994516 0.838637 0.087313 Br\n0.543439 0.083997 0.193110 Br\n0.522616 0.658273 0.210206 Br\n0.022616 0.341727 0.289794 Br\n0.043439 0.916003 0.306890 Br\n0.494516 0.161363 0.412687 Br\n0.505484 0.161363 0.587313 Br\n0.956561 0.916003 0.693110 Br\n0.977384 0.341727 0.710206 Br\n0.477384 0.658273 0.789794 Br\n0.456561 0.083997 0.806890 Br\n0.005484 0.838637 0.912687 Br\n0.000000 0.540204 0.000000 O\n0.500000 0.037033 0.000000 O\n0.966046 0.237851 0.060556 O\n0.495120 0.509038 0.078725 O\n0.029637 0.387374 0.152421 O\n0.529637 0.612626 0.347579 O\n0.995120 0.490962 0.421275 O\n0.466046 0.762149 0.439444 O\n0.000000 0.962967 0.500000 O\n0.500000 0.459796 0.500000 O\n0.533954 0.762149 0.560556 O\n0.004880 0.490962 0.578725 O\n0.470363 0.612626 0.652421 O\n0.970363 0.387374 0.847579 O\n0.504880 0.509038 0.921275 O\n0.033954 0.237851 0.939444 O\n",
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"structure_string": "Li9 Mn2 Co5 O16\n1.0\n2.910237 0.000000 0.000000\n0.000000 8.352689 0.007654\n0.000000 0.140175 11.879370\nLi Mn Co O\n9 2 5 16\ndirect\n0.500000 0.254696 0.123419 Li\n0.500000 0.745304 0.376581 Li\n0.500000 0.264135 0.630857 Li\n0.000000 0.499335 0.995997 Li\n0.000000 0.000000 0.250000 Li\n0.000000 0.500665 0.504003 Li\n0.500000 0.735865 0.869143 Li\n0.000000 0.000000 0.750000 Li\n0.000000 0.500000 0.750000 Li\n0.000000 0.001105 0.997901 Mn\n0.000000 0.998895 0.502099 Mn\n0.000000 0.500000 0.250000 Co\n0.500000 0.274925 0.868171 Co\n0.500000 0.743964 0.126673 Co\n0.500000 0.256036 0.373327 Co\n0.500000 0.725075 0.631829 Co\n0.500000 0.999071 0.110312 O\n0.500000 0.496015 0.368849 O\n0.500000 0.002683 0.609207 O\n0.000000 0.229392 0.992148 O\n0.000000 0.751903 0.241818 O\n0.000000 0.235140 0.490826 O\n0.500000 0.488417 0.879088 O\n0.000000 0.756574 0.740450 O\n0.500000 0.503985 0.131151 O\n0.500000 0.000929 0.389688 O\n0.500000 0.511583 0.620912 O\n0.000000 0.764860 0.009174 O\n0.000000 0.248097 0.258182 O\n0.000000 0.770608 0.507852 O\n0.500000 0.997317 0.890793 O\n0.000000 0.243426 0.759550 O\n",
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"formula_full": "Y12 Ga4 Fe16 O48",
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{
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"structure_string": "Cd12 Si12 O36\n1.0\n7.362296 0.000000 0.000000\n0.000000 7.086681 0.000000\n0.000000 1.347205 15.262321\nCd Si O\n12 12 36\ndirect\n0.623844 0.988614 0.248231 Cd\n0.372770 0.750574 0.098597 Cd\n0.379402 0.253353 0.398287 Cd\n0.123844 0.011386 0.251769 Cd\n0.620598 0.746647 0.601713 Cd\n0.872770 0.249426 0.401403 Cd\n0.879402 0.746647 0.101713 Cd\n0.120598 0.253353 0.898287 Cd\n0.376156 0.011386 0.751769 Cd\n0.127230 0.750574 0.598597 Cd\n0.627230 0.249426 0.901403 Cd\n0.876156 0.988614 0.748231 Cd\n0.410982 0.760400 0.410355 Si\n0.837663 0.761379 0.409757 Si\n0.876609 0.452397 0.697639 Si\n0.589018 0.239600 0.589645 Si\n0.337663 0.238621 0.090243 Si\n0.623391 0.452397 0.197639 Si\n0.910982 0.239600 0.089645 Si\n0.662337 0.761379 0.909757 Si\n0.089018 0.760400 0.910355 Si\n0.376609 0.547603 0.802361 Si\n0.123391 0.547603 0.302361 Si\n0.162337 0.238621 0.590243 Si\n0.376041 0.297900 0.600057 O\n0.876041 0.702100 0.899943 O\n0.555357 0.585638 0.866017 O\n0.444643 0.414362 0.133983 O\n0.055357 0.414362 0.633983 O\n0.623959 0.702100 0.399943 O\n0.620771 0.773763 0.012303 O\n0.124728 0.042650 0.653638 O\n0.875272 0.957350 0.346362 O\n0.120771 0.226237 0.487697 O\n0.870931 0.042422 0.150984 O\n0.874998 0.680728 0.702907 O\n0.198176 0.586325 0.866774 O\n0.876127 0.305050 0.785431 O\n0.301824 0.586325 0.366774 O\n0.123873 0.694950 0.214569 O\n0.125002 0.319272 0.297093 O\n0.375272 0.042650 0.153638 O\n0.698176 0.413675 0.633226 O\n0.123959 0.297900 0.100057 O\n0.624728 0.957350 0.846362 O\n0.374998 0.319272 0.797093 O\n0.376127 0.694950 0.714569 O\n0.379229 0.226237 0.987697 O\n0.629069 0.042422 0.650984 O\n0.623873 0.305050 0.285431 O\n0.625002 0.680728 0.202907 O\n0.801824 0.413675 0.133226 O\n0.129069 0.957578 0.849016 O\n0.871700 0.232733 0.985791 O\n0.944643 0.585638 0.366017 O\n0.879229 0.773763 0.512303 O\n0.628300 0.232733 0.485791 O\n0.128300 0.767267 0.014209 O\n0.370931 0.957578 0.349016 O\n0.371700 0.767267 0.514209 O\n",
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{
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{
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"structure_string": "Li2 Ni2 P2 O8\n1.0\n-2.802936 4.659436 0.000050\n2.802840 0.000002 5.559035\n2.802935 4.659435 -0.000046\nLi Ni P O\n2 2 2 8\ndirect\n0.812274 0.250000 0.812275 Li\n0.562278 0.750000 0.562278 Li\n0.186977 0.750003 0.186960 Ni\n0.436970 0.250001 0.436974 Ni\n0.121193 0.249999 0.121194 P\n0.871188 0.749999 0.871189 P\n0.779196 0.107901 0.269114 O\n0.876974 0.607883 0.671317 O\n0.269113 0.392099 0.779196 O\n0.671315 0.892117 0.876975 O\n0.289057 0.087422 0.167216 O\n0.754622 0.587433 0.201631 O\n0.167216 0.412577 0.289057 O\n0.201628 0.912565 0.754625 O\n",
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}