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{
"id": "mp-1105186",
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{
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{
"id": "mp-1332293",
"created_at": "2022-09-04T14:42:39.986240Z",
"structure_string": "K24 B54 Se54\n1.0\n21.088190 8.289751 0.000000\n-21.088190 8.289751 0.000000\n0.000000 3.345495 9.444200\nK B Se\n24 54 54\ndirect\n0.744373 0.598092 0.100257 K\n0.865437 0.148145 0.996317 K\n0.458703 0.088297 0.091059 K\n0.793703 0.170414 0.486866 K\n0.160135 0.160135 0.392081 K\n0.058425 0.252628 0.530734 K\n0.395187 0.245224 0.957870 K\n0.912042 0.393613 0.777903 K\n0.735197 0.900500 0.513971 K\n0.900500 0.735197 0.513971 K\n0.608370 0.608370 0.581479 K\n0.247472 0.392629 0.962365 K\n0.493491 0.493491 0.020554 K\n0.170414 0.793703 0.486866 K\n0.598092 0.744373 0.100257 K\n0.393613 0.912042 0.777903 K\n0.405757 0.402943 0.457573 K\n0.075999 0.625569 0.198291 K\n0.252628 0.058425 0.530734 K\n0.088297 0.458703 0.091059 K\n0.833264 0.513924 0.904620 K\n0.148145 0.865437 0.996317 K\n0.625569 0.075999 0.198291 K\n0.513924 0.833264 0.904620 K\n0.672291 0.409220 0.483220 B\n0.918185 0.600054 0.369985 B\n0.817907 0.982110 0.849926 B\n0.557837 0.224342 0.630844 B\n0.625949 0.129271 0.751094 B\n0.344912 0.741560 0.454419 B\n0.908906 0.975297 0.036807 B\n0.812710 0.318814 0.220853 B\n0.628303 0.334209 0.650158 B\n0.296796 0.557603 0.532666 B\n0.182437 0.015022 0.146715 B\n0.087644 0.087644 0.853598 B\n0.724647 0.724647 0.175629 B\n0.664945 0.485996 0.703319 B\n0.041950 0.378395 0.627083 B\n0.975297 0.908906 0.036807 B\n0.407652 0.740726 0.541141 B\n0.307025 0.672958 0.343258 B\n0.334209 0.628303 0.650158 B\n0.485996 0.664945 0.703319 B\n0.224342 0.557837 0.630844 B\n0.015022 0.182437 0.146715 B\n0.409220 0.672291 0.483220 B\n0.909937 0.909937 0.148279 B\n0.026741 0.982257 0.141957 B\n0.021610 0.087873 0.963994 B\n0.629955 0.229976 0.515277 B\n0.672958 0.307025 0.343258 B\n0.741560 0.344912 0.454419 B\n0.347470 0.628546 0.357287 B\n0.232042 0.559695 0.451332 B\n0.982257 0.026741 0.141957 B\n0.318814 0.812710 0.220853 B\n0.743025 0.416484 0.362723 B\n0.229976 0.629955 0.515277 B\n0.378395 0.041950 0.627083 B\n0.670924 0.291903 0.636740 B\n0.087873 0.021610 0.963994 B\n0.129271 0.625949 0.751094 B\n0.291903 0.670924 0.636740 B\n0.559695 0.232042 0.451332 B\n0.903514 0.903514 0.974205 B\n0.309142 0.471722 0.343601 B\n0.092617 0.092617 0.027233 B\n0.557603 0.296796 0.532666 B\n0.628546 0.347470 0.357287 B\n0.416484 0.743025 0.362723 B\n0.274898 0.274898 0.833395 B\n0.014922 0.970497 0.858862 B\n0.740726 0.407652 0.541141 B\n0.970497 0.014923 0.858862 B\n0.982110 0.817907 0.849926 B\n0.471722 0.309142 0.343601 B\n0.600054 0.918185 0.369985 B\n0.271512 0.450594 0.549260 Se\n0.594435 0.034898 0.880575 Se\n0.046302 0.194179 0.942997 Se\n0.031284 0.727008 0.318047 Se\n0.024863 0.921171 0.714179 Se\n0.542716 0.855735 0.225906 Se\n0.369085 0.846790 0.380234 Se\n0.955636 0.803118 0.055521 Se\n0.694298 0.512167 0.494982 Se\n0.365701 0.585529 0.210886 Se\n0.448089 0.115353 0.424252 Se\n0.616533 0.371488 0.815436 Se\n0.601328 0.601328 0.251287 Se\n0.123722 0.603473 0.561621 Se\n0.680133 0.240496 0.800520 Se\n0.855735 0.542716 0.225906 Se\n0.713727 0.291652 0.169909 Se\n0.438220 0.103519 0.768432 Se\n0.288842 0.385272 0.269606 Se\n0.371488 0.616533 0.815436 Se\n0.205619 0.205619 0.704350 Se\n0.794734 0.794734 0.302596 Se\n0.977659 0.736929 0.785176 Se\n0.115353 0.448089 0.424252 Se\n0.736929 0.977659 0.785176 Se\n0.210948 0.210948 0.038069 Se\n0.867729 0.295474 0.118200 Se\n0.295474 0.867729 0.118200 Se\n0.921171 0.024863 0.714179 Se\n0.385272 0.288842 0.269606 Se\n0.291652 0.713727 0.169909 Se\n0.450594 0.271512 0.549260 Se\n0.917779 0.259514 0.686401 Se\n0.973712 0.074965 0.285400 Se\n0.727008 0.031284 0.318047 Se\n0.603473 0.123722 0.561621 Se\n0.034898 0.594435 0.880575 Se\n0.103519 0.438220 0.768432 Se\n0.687467 0.569860 0.789508 Se\n0.859523 0.519231 0.567030 Se\n0.259514 0.917779 0.686401 Se\n0.782966 0.782966 0.969375 Se\n0.803118 0.955636 0.055521 Se\n0.074965 0.973712 0.285400 Se\n0.569860 0.687467 0.789508 Se\n0.846790 0.369085 0.380234 Se\n0.512167 0.694298 0.494982 Se\n0.265092 0.025495 0.208896 Se\n0.194179 0.046302 0.942997 Se\n0.240496 0.680133 0.800520 Se\n0.025495 0.265092 0.208896 Se\n0.585529 0.365701 0.210886 Se\n0.398621 0.395961 0.778810 Se\n0.519231 0.859523 0.567030 Se\n",
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"density": 2.909719023943086,
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"volume": 3301.9915904670092,
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"formula_full": "K24 B54 Se54",
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},
{
"id": "mp-698298",
"created_at": "2022-09-04T14:42:39.945405Z",
"structure_string": "Ni1 H14 C10 N8 O2\n1.0\n3.680818 6.739916 0.000000\n-3.680818 6.739916 0.000000\n0.000000 3.180739 7.602531\nNi H C N O\n1 14 10 8 2\ndirect\n0.000000 0.000000 0.500000 Ni\n0.228753 0.228753 0.235886 H\n0.771247 0.771247 0.764114 H\n0.088976 0.330723 0.770521 H\n0.330723 0.088976 0.770521 H\n0.911024 0.669277 0.229479 H\n0.669277 0.911024 0.229479 H\n0.097406 0.097406 0.923948 H\n0.902594 0.902594 0.076052 H\n0.262802 0.504799 0.824736 H\n0.504799 0.262802 0.824736 H\n0.737198 0.495201 0.175264 H\n0.495201 0.737198 0.175264 H\n0.383251 0.383251 0.013994 H\n0.616749 0.616749 0.986006 H\n0.180357 0.180357 0.154276 C\n0.819643 0.819643 0.845724 C\n0.184851 0.184851 0.854767 C\n0.815149 0.815149 0.145233 C\n0.353805 0.353805 0.907230 C\n0.646195 0.646195 0.092770 C\n0.766682 0.459274 0.578268 C\n0.459274 0.766682 0.578268 C\n0.233318 0.540726 0.421732 C\n0.540726 0.233318 0.421732 C\n0.896420 0.301103 0.529020 N\n0.301103 0.896420 0.529020 N\n0.103580 0.698897 0.470980 N\n0.698897 0.103580 0.470980 N\n0.631347 0.631347 0.638960 N\n0.368653 0.368653 0.361040 N\n0.236705 0.236705 0.980506 N\n0.763295 0.763295 0.019494 N\n0.079529 0.079529 0.223739 O\n0.920471 0.920471 0.776261 O\n",
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{
"id": "mp-1233334",
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"structure_string": "Ba6 Pr2 Mg1 Ru4 O18\n1.0\n6.056423 0.040057 -0.144667\n-2.993521 5.265045 0.144667\n-0.360602 0.208194 15.250947\nBa Pr Mg Ru O\n6 2 1 4 18\ndirect\n0.296518 0.703482 0.639537 Ba\n0.022379 0.977621 0.240157 Ba\n0.703482 0.296518 0.360463 Ba\n0.673418 0.326582 0.088751 Ba\n0.326582 0.673418 0.911249 Ba\n0.977621 0.022379 0.759843 Ba\n0.000000 0.000000 0.500000 Pr\n0.000000 0.000000 0.000000 Pr\n0.500000 0.500000 0.500000 Mg\n0.333558 0.666442 0.328219 Ru\n0.651760 0.348240 0.837509 Ru\n0.666442 0.333558 0.671781 Ru\n0.348240 0.651760 0.162491 Ru\n0.201819 0.798181 0.074561 O\n0.203776 0.335419 0.096423 O\n0.664581 0.796224 0.096423 O\n0.363653 0.199245 0.585924 O\n0.796224 0.664581 0.903577 O\n0.823871 0.176129 0.603297 O\n0.800755 0.636347 0.585924 O\n0.176129 0.823871 0.396703 O\n0.636347 0.800755 0.414076 O\n0.335419 0.203776 0.903577 O\n0.798181 0.201819 0.925439 O\n0.199245 0.363653 0.414076 O\n0.489987 0.970414 0.237421 O\n0.505590 0.494410 0.742691 O\n0.970414 0.489987 0.762579 O\n0.029586 0.510013 0.237421 O\n0.494410 0.505590 0.257309 O\n0.510013 0.029586 0.762579 O\n",
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{
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"structure_string": "Li40 Sb8 S8\n1.0\n8.146133 0.000000 0.000000\n0.000000 8.392634 0.000000\n0.000000 1.381390 16.414612\nLi Sb S\n40 8 8\ndirect\n0.487450 0.999003 0.608372 Li\n0.811863 0.993639 0.699069 Li\n0.825312 0.985943 0.532814 Li\n0.012550 0.999003 0.108372 Li\n0.688137 0.993639 0.199069 Li\n0.674688 0.985943 0.032814 Li\n0.497710 0.702878 0.912215 Li\n0.121820 0.724082 0.744244 Li\n0.569770 0.738927 0.748477 Li\n0.829582 0.691863 0.865178 Li\n0.212072 0.715525 0.577404 Li\n0.002290 0.702878 0.412215 Li\n0.567881 0.618339 0.542340 Li\n0.830097 0.550868 0.652721 Li\n0.378180 0.724082 0.244244 Li\n0.930230 0.738927 0.248477 Li\n0.670418 0.691863 0.365178 Li\n0.287928 0.715525 0.077404 Li\n0.932119 0.618339 0.042340 Li\n0.669903 0.550868 0.152721 Li\n0.330097 0.449132 0.847279 Li\n0.067881 0.381661 0.957660 Li\n0.712072 0.284475 0.922596 Li\n0.329582 0.308137 0.634822 Li\n0.069770 0.261073 0.751523 Li\n0.621820 0.275918 0.755756 Li\n0.169903 0.449132 0.347279 Li\n0.432119 0.381661 0.457660 Li\n0.997710 0.297122 0.587785 Li\n0.787928 0.284475 0.422596 Li\n0.170418 0.308137 0.134822 Li\n0.430230 0.261073 0.251523 Li\n0.878180 0.275918 0.255756 Li\n0.502290 0.297122 0.087785 Li\n0.325312 0.014057 0.967186 Li\n0.311863 0.006361 0.800931 Li\n0.987450 0.000997 0.891628 Li\n0.174688 0.014057 0.467186 Li\n0.188137 0.006361 0.300931 Li\n0.512550 0.000997 0.391628 Li\n0.150156 0.011657 0.642820 Sb\n0.349844 0.011657 0.142820 Sb\n0.160322 0.707544 0.916922 Sb\n0.339678 0.707544 0.416922 Sb\n0.660322 0.292456 0.583078 Sb\n0.839678 0.292456 0.083078 Sb\n0.650156 0.988343 0.857180 Sb\n0.849844 0.988343 0.357180 Sb\n0.688907 0.794399 0.622670 S\n0.811093 0.794399 0.122670 S\n0.622441 0.502826 0.833659 S\n0.122441 0.497174 0.666341 S\n0.877559 0.502826 0.333659 S\n0.377559 0.497174 0.166341 S\n0.188907 0.205601 0.877330 S\n0.311093 0.205601 0.377330 S\n",
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{
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