{"count":146323,"next":"https://simmate.org/third-parties/MatprojStructure/?format=json&ordering=-nsites&page=60","previous":"https://simmate.org/third-parties/MatprojStructure/?format=json&ordering=-nsites&page=58","results":[{"id":"mp-1204254","created_at":"2022-09-04T14:39:18.514006Z","structure_string":"Li4 Si12 H108 C36 N8\n1.0\n9.216005 -0.005433 -0.352444\n-4.440597 8.794464 -1.888117\n-0.002344 0.021346 23.107323\nLi Si H C N\n4 12 108 36 8\ndirect\n0.870760 0.948905 0.975079 Li\n0.129240 0.051095 0.024921 Li\n0.519354 0.893155 0.494898 Li\n0.480646 0.106845 0.505102 Li\n0.218149 0.143919 0.907614 Si\n0.781851 0.856081 0.092386 Si\n0.805172 0.839914 0.842087 Si\n0.194828 0.160086 0.157913 Si\n0.013197 0.708242 0.896827 Si\n0.986803 0.291758 0.103173 Si\n0.708247 0.166107 0.409204 Si\n0.291753 0.833893 0.590796 Si\n0.286244 0.816789 0.358839 Si\n0.713756 0.183211 0.641161 Si\n0.581548 0.749575 0.379065 Si\n0.418452 0.250425 0.620935 Si\n0.433232 0.189804 0.989456 H\n0.566768 0.810196 0.010544 H\n0.476755 0.356971 0.963291 H\n0.523245 0.643029 0.036709 H\n0.330071 0.302765 0.012469 H\n0.669929 0.697235 0.987531 H\n0.082389 0.239997 0.839168 H\n0.917611 0.760003 0.160832 H\n0.123460 0.345735 0.913846 H\n0.876540 0.654265 0.086154 H\n0.283893 0.377655 0.869512 H\n0.716107 0.622345 0.130488 H\n0.369608 0.002689 0.861789 H\n0.630392 0.997311 0.138211 H\n0.241439 0.015931 0.805791 H\n0.758561 0.984069 0.194209 H\n0.425701 0.176796 0.839754 H\n0.574299 0.823204 0.160246 H\n0.645391 0.934829 0.909595 H\n0.354609 0.065171 0.090405 H\n0.804763 0.088830 0.886639 H\n0.195237 0.911170 0.113361 H\n0.625554 0.960858 0.836948 H\n0.374446 0.039142 0.163052 H\n0.779180 0.871970 0.739333 H\n0.220820 0.128030 0.260667 H\n0.973755 0.008664 0.777472 H\n0.026245 0.991336 0.222528 H\n0.935283 0.816571 0.750197 H\n0.064717 0.183429 0.249803 H\n0.541956 0.641165 0.788470 H\n0.458044 0.358835 0.211530 H\n0.669787 0.554938 0.799490 H\n0.330213 0.445062 0.200510 H\n0.573247 0.605010 0.859137 H\n0.426753 0.394990 0.140863 H\n0.295843 0.882774 0.949364 H\n0.704157 0.117226 0.050636 H\n0.161951 0.796305 0.999736 H\n0.838049 0.203695 0.000264 H\n0.233737 0.687884 0.950427 H\n0.766263 0.312116 0.049573 H\n0.173136 0.736184 0.810568 H\n0.826864 0.263816 0.189432 H\n0.103389 0.551853 0.825910 H\n0.896611 0.448147 0.174090 H\n0.967617 0.596985 0.786762 H\n0.032383 0.403016 0.213238 H\n0.825578 0.555866 0.960760 H\n0.174422 0.444134 0.039240 H\n0.736655 0.480103 0.884956 H\n0.263345 0.519897 0.115044 H\n0.899191 0.448052 0.911587 H\n0.100809 0.551948 0.088413 H\n0.948905 0.111801 0.389360 H\n0.051095 0.888199 0.610640 H\n0.005009 0.309230 0.405694 H\n0.994991 0.690770 0.594306 H\n0.972187 0.210360 0.463975 H\n0.027813 0.789640 0.536025 H\n0.595829 0.348406 0.448107 H\n0.404171 0.651594 0.551893 H\n0.728046 0.344281 0.505995 H\n0.271954 0.655719 0.494005 H\n0.810586 0.443285 0.450244 H\n0.189414 0.556715 0.549756 H\n0.543569 0.173645 0.321064 H\n0.456431 0.826355 0.678936 H\n0.756247 0.282498 0.322077 H\n0.243753 0.717502 0.677923 H\n0.665413 0.082173 0.296917 H\n0.334587 0.917827 0.703083 H\n0.092401 0.642188 0.415309 H\n0.907599 0.357812 0.584691 H\n0.003221 0.620784 0.342377 H\n0.996779 0.379216 0.657623 H\n0.130144 0.533331 0.353081 H\n0.869856 0.466669 0.646919 H\n0.321232 0.084894 0.385344 H\n0.678768 0.915106 0.614656 H\n0.115937 0.947644 0.358787 H\n0.884063 0.052356 0.641213 H\n0.199272 0.972516 0.432732 H\n0.800728 0.027484 0.567268 H\n0.376573 0.898811 0.264713 H\n0.623427 0.101189 0.735287 H\n0.315832 0.701134 0.256542 H\n0.684168 0.298866 0.743458 H\n0.166142 0.767162 0.254604 H\n0.833858 0.232838 0.745396 H\n0.768354 0.722207 0.309121 H\n0.231646 0.277793 0.690879 H\n0.619128 0.757239 0.272970 H\n0.380872 0.242761 0.727030 H\n0.788163 0.910191 0.321037 H\n0.211837 0.089809 0.678963 H\n0.511689 0.478738 0.348979 H\n0.488311 0.521262 0.651021 H\n0.372818 0.501407 0.396492 H\n0.627182 0.498593 0.603508 H\n0.347562 0.504874 0.320144 H\n0.652438 0.495126 0.679856 H\n0.667870 0.740460 0.482762 H\n0.332130 0.259540 0.517238 H\n0.795646 0.716895 0.431554 H\n0.204354 0.283105 0.568446 H\n0.817381 0.902634 0.460744 H\n0.182619 0.097366 0.539256 H\n0.378301 0.257823 0.974837 C\n0.621699 0.742177 0.025163 C\n0.171030 0.289241 0.879705 C\n0.828970 0.710759 0.120295 C\n0.321667 0.076532 0.848163 C\n0.678333 0.923468 0.151837 C\n0.713909 0.969057 0.872538 C\n0.286091 0.030943 0.127462 C\n0.882081 0.889532 0.770870 C\n0.117919 0.110468 0.229130 C\n0.633065 0.640782 0.820730 C\n0.366935 0.359218 0.179270 C\n0.193673 0.777486 0.954662 C\n0.806327 0.222514 0.045338 C\n0.069383 0.643190 0.822882 C\n0.930617 0.356810 0.177118 C\n0.851374 0.532446 0.915060 C\n0.148626 0.467554 0.084940 C\n0.928152 0.200875 0.417765 C\n0.071848 0.799125 0.582235 C\n0.709028 0.340527 0.458250 C\n0.290972 0.659473 0.541750 C\n0.662132 0.174880 0.329847 C\n0.337868 0.825120 0.670153 C\n0.113799 0.635356 0.368745 C\n0.886201 0.364644 0.631255 C\n0.227288 0.971396 0.386948 C\n0.772712 0.028604 0.613052 C\n0.287671 0.794428 0.276014 C\n0.712329 0.205572 0.723986 C\n0.700251 0.789845 0.314579 C\n0.299749 0.210155 0.685421 C\n0.437678 0.539740 0.359330 C\n0.562322 0.460260 0.640670 C\n0.728379 0.782616 0.445201 C\n0.271621 0.217384 0.554799 C\n0.064356 0.007334 0.935135 N\n0.935644 0.992666 0.064865 N\n0.949491 0.852494 0.898135 N\n0.050509 0.147506 0.101865 N\n0.567812 0.017324 0.435811 N\n0.432188 0.982676 0.564189 N\n0.474432 0.857174 0.399036 N\n0.525568 0.142826 0.600964 N\n","nsites":168,"nelements":5,"elements":["Li","Si","H","C","N"],"chemical_system":"C-H-Li-N-Si","density":0.9027532768025829,"density_atomic":0.08971078478535133,"volume":1872.6845429116381,"volume_molar":6.712839236006039,"formula_full":"Li4 Si12 H108 C36 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Li\n0.522356 0.561925 0.182996 Li\n0.540485 0.592402 0.526731 Li\n0.459515 0.407598 0.026731 Li\n0.477644 0.438075 0.682996 Li\n0.587754 0.553627 0.867072 Li\n0.446373 0.034127 0.200405 Li\n0.952956 0.976889 0.361984 Li\n0.976067 0.952956 0.528651 Li\n0.561925 0.039569 0.016329 Li\n0.592402 0.051918 0.360064 Li\n0.960431 0.522356 0.349663 Li\n0.948082 0.540485 0.693397 Li\n0.965873 0.412246 0.533739 Li\n0.976889 0.023933 0.195317 Li\n0.101241 0.819967 0.269892 Co\n0.085659 0.764863 0.919824 Co\n0.124704 0.754631 0.593467 Co\n0.310590 0.667677 0.756653 Co\n0.332323 0.642912 0.089986 Co\n0.357088 0.689410 0.423319 Co\n0.180033 0.281274 0.603226 Co\n0.245369 0.370073 0.926801 Co\n0.235137 0.320795 0.253157 Co\n0.629927 0.875296 0.260134 Co\n0.679205 0.914341 0.586491 Co\n0.281274 0.101241 0.436559 Co\n0.718726 0.898759 0.936559 Co\n0.320795 0.085659 0.086491 Co\n0.370073 0.124704 0.760134 Co\n0.764863 0.679205 0.753157 Co\n0.754631 0.629927 0.426801 Co\n0.819967 0.718726 0.103226 Co\n0.642912 0.310590 0.923319 Co\n0.667677 0.357088 0.589986 Co\n0.689410 0.332323 0.256653 Co\n0.875296 0.245369 0.093467 Co\n0.914341 0.235137 0.419824 Co\n0.898759 0.180033 0.769892 Co\n0.092715 0.789960 0.790543 P\n0.082120 0.755454 0.466533 P\n0.132151 0.771823 0.139763 P\n0.285777 0.647315 0.295797 P\n0.361538 0.714223 0.962463 P\n0.352685 0.638462 0.629130 P\n0.228177 0.360327 0.473097 P\n0.210040 0.302755 0.123876 P\n0.244546 0.326666 0.799866 P\n0.639673 0.867849 0.806430 P\n0.673334 0.917880 0.133200 P\n0.697245 0.907285 0.457210 P\n0.302755 0.092715 0.957210 P\n0.326666 0.082120 0.633200 P\n0.360327 0.132151 0.306430 P\n0.755454 0.673334 0.299866 P\n0.789960 0.697245 0.623876 P\n0.771823 0.639673 0.973097 P\n0.647315 0.361538 0.129130 P\n0.638462 0.285777 0.462463 P\n0.714223 0.352685 0.795797 P\n0.867849 0.228177 0.639763 P\n0.917880 0.244546 0.966533 P\n0.907285 0.210040 0.290543 P\n0.037453 0.765992 0.086859 O\n0.092120 0.918016 0.471323 O\n0.015654 0.688053 0.843002 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O\n0.234008 0.271462 0.420193 O\n0.311947 0.327601 0.176335 O\n0.174104 0.092120 0.637989 O\n0.335400 0.350849 0.855208 O\n0.537970 0.748208 0.123854 O\n0.300048 0.241876 0.976231 O\n0.649151 0.984550 0.188541 O\n0.339941 0.309776 0.751186 O\n0.371511 0.295557 0.305845 O\n0.672399 0.984346 0.509668 O\n0.727983 0.965384 0.858022 O\n0.271462 0.037453 0.253526 O\n0.728538 0.962547 0.753526 O\n0.272017 0.034616 0.358022 O\n0.327601 0.015654 0.009668 O\n0.628489 0.704443 0.805845 O\n0.660059 0.690224 0.251186 O\n0.350849 0.015450 0.688541 O\n0.699952 0.758124 0.476231 O\n0.462030 0.251792 0.623854 O\n0.664600 0.649151 0.355208 O\n0.825896 0.907880 0.137989 O\n0.688053 0.672399 0.676335 O\n0.765992 0.728538 0.920193 O\n0.844930 0.860436 0.596672 O\n0.432118 0.122644 0.914418 O\n0.476573 0.137852 0.471776 O\n0.530300 0.272646 0.080869 O\n0.604920 0.417919 0.446921 O\n0.762599 0.727983 0.024689 O\n0.631460 0.469749 0.971372 O\n0.661279 0.523427 0.138443 O\n0.690526 0.567882 0.581085 O\n0.530251 0.161711 0.304705 O\n0.582081 0.187002 0.780254 O\n0.586031 0.263061 0.183468 O\n0.789762 0.537970 0.290521 O\n0.677030 0.413969 0.850135 O\n0.742346 0.469700 0.747535 O\n0.736939 0.322970 0.516801 O\n0.918016 0.825896 0.304656 O\n0.984495 0.844930 0.763338 O\n0.941828 0.699952 0.642898 O\n0.969835 0.660059 0.417853 O\n0.727354 0.257654 0.414202 O\n0.924046 0.628489 0.972511 O\n0.812998 0.395080 0.113587 O\n0.748208 0.210238 0.957188 O\n0.838289 0.368540 0.638039 O\n0.704443 0.075954 0.639178 O\n0.690224 0.030165 0.084520 O\n0.877356 0.309474 0.247752 O\n0.862148 0.338721 0.805110 O\n0.758124 0.058172 0.309565 O\n0.984550 0.335400 0.021875 O\n0.965384 0.237401 0.691356 O\n0.860436 0.015505 0.430005 O\n0.984346 0.311947 0.343002 O\n0.907880 0.081984 0.971323 O\n0.962547 0.234008 0.586859 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Na\n0.723582 0.723582 0.691450 Na\n0.575600 0.151199 0.500000 Na\n0.241638 0.483276 0.000000 Na\n0.000000 0.000000 0.823708 Na\n0.000000 0.723582 0.691450 Na\n0.424400 0.848801 0.500000 Na\n0.000000 0.000000 0.176292 Na\n0.848801 0.424400 0.500000 Na\n0.723582 0.000000 0.691450 Na\n0.575600 0.424400 0.500000 Na\n0.424400 0.575600 0.500000 Na\n0.723582 0.723582 0.308550 Na\n0.000000 0.723582 0.308550 Na\n0.758362 0.516724 0.000000 Na\n0.000000 0.276418 0.691450 Na\n0.000000 0.276418 0.308550 Na\n0.483276 0.241638 0.000000 Na\n0.276418 0.000000 0.691450 Na\n0.276418 0.000000 0.308550 Na\n0.723582 0.000000 0.308550 Na\n0.151199 0.575600 0.500000 Na\n0.276418 0.276418 0.308550 Na\n0.276418 0.276418 0.691450 Na\n0.357718 0.178859 0.243085 Cd\n0.811230 0.905615 0.238369 Cd\n0.188770 0.094385 0.238369 Cd\n0.178859 0.357718 0.756915 Cd\n0.591852 0.720994 0.500000 Cd\n0.420428 0.000000 0.500000 Cd\n0.821141 0.642282 0.756915 Cd\n0.150329 0.150329 0.000000 Cd\n0.454449 0.110888 0.224029 Cd\n0.178859 0.821141 0.756915 Cd\n0.110888 0.656439 0.224029 Cd\n0.591852 0.870857 0.500000 Cd\n0.545551 0.889112 0.224029 Cd\n0.083440 0.766779 0.000000 Cd\n0.233221 0.916560 0.000000 Cd\n0.446247 0.553753 0.000000 Cd\n0.094385 0.905615 0.238369 Cd\n0.656439 0.545551 0.224029 Cd\n0.821141 0.642282 0.243085 Cd\n0.889112 0.545551 0.224029 Cd\n0.138265 0.138265 0.500000 Cd\n0.579572 0.579572 0.500000 Cd\n0.110888 0.454449 0.775971 Cd\n0.761606 0.380803 0.161258 Cd\n0.476292 0.738146 0.654670 Cd\n0.107506 0.553753 0.000000 Cd\n0.129143 0.408148 0.500000 Cd\n0.150329 0.000000 0.000000 Cd\n0.642282 0.821141 0.756915 Cd\n0.094385 0.188770 0.238369 Cd\n0.606640 0.000000 0.000000 Cd\n0.343561 0.454449 0.224029 Cd\n0.000000 0.579572 0.500000 Cd\n0.454449 0.343561 0.224029 Cd\n0.000000 0.500000 0.246198 Cd\n0.136498 0.272996 0.500000 Cd\n0.000000 0.861735 0.500000 Cd\n0.138265 0.000000 0.500000 Cd\n0.333333 0.666667 0.500000 Cd\n0.863502 0.727004 0.500000 Cd\n0.279006 0.870857 0.500000 Cd\n0.861735 0.861735 0.500000 Cd\n0.870857 0.279006 0.500000 Cd\n0.870857 0.591852 0.500000 Cd\n0.083440 0.316660 0.000000 Cd\n0.849671 0.000000 0.000000 Cd\n0.380803 0.761606 0.838742 Cd\n0.905615 0.811230 0.761631 Cd\n0.233221 0.316660 0.000000 Cd\n0.136498 0.863502 0.500000 Cd\n0.000000 0.420428 0.500000 Cd\n0.553753 0.107506 0.000000 Cd\n0.738146 0.476292 0.654670 Cd\n0.343561 0.889112 0.224029 Cd\n0.683340 0.916560 0.000000 Cd\n0.261854 0.523708 0.654670 Cd\n0.811230 0.905615 0.761631 Cd\n0.821141 0.178859 0.756915 Cd\n0.408148 0.279006 0.500000 Cd\n0.892494 0.446247 0.000000 Cd\n0.094385 0.188770 0.761631 Cd\n0.738146 0.476292 0.345330 Cd\n0.738146 0.261854 0.654670 Cd\n0.000000 0.606640 0.000000 Cd\n0.863502 0.136498 0.500000 Cd\n0.000000 0.138265 0.500000 Cd\n0.905615 0.094385 0.238369 Cd\n0.446247 0.892494 0.000000 Cd\n0.545551 0.656439 0.224029 Cd\n0.656439 0.545551 0.775971 Cd\n0.261854 0.523708 0.345330 Cd\n0.178859 0.357718 0.243085 Cd\n0.238394 0.619197 0.838742 Cd\n0.454449 0.343561 0.775971 Cd\n0.545551 0.889112 0.775971 Cd\n0.000000 0.849671 0.000000 Cd\n0.188770 0.094385 0.761631 Cd\n0.420428 0.420428 0.500000 Cd\n0.000000 0.393360 0.000000 Cd\n0.000000 0.500000 0.753802 Cd\n0.619197 0.380803 0.161258 Cd\n0.000000 0.150329 0.000000 Cd\n0.110888 0.454449 0.224029 Cd\n0.523708 0.261854 0.345330 Cd\n0.408148 0.129143 0.500000 Cd\n0.889112 0.545551 0.775971 Cd\n0.316660 0.233221 0.000000 Cd\n0.500000 0.000000 0.753802 Cd\n0.129143 0.720994 0.500000 Cd\n0.727004 0.863502 0.500000 Cd\n0.380803 0.619197 0.161258 Cd\n0.720994 0.591852 0.500000 Cd\n0.393360 0.000000 0.000000 Cd\n0.916560 0.233221 0.000000 Cd\n0.766779 0.083440 0.000000 Cd\n0.357718 0.178859 0.756915 Cd\n0.849671 0.849671 0.000000 Cd\n0.272996 0.136498 0.500000 Cd\n0.500000 0.500000 0.246198 Cd\n0.500000 0.500000 0.753802 Cd\n0.821141 0.178859 0.243085 Cd\n0.523708 0.261854 0.654670 Cd\n0.666667 0.333333 0.500000 Cd\n0.178859 0.821141 0.243085 Cd\n0.619197 0.238394 0.161258 Cd\n0.343561 0.454449 0.775971 Cd\n0.619197 0.380803 0.838742 Cd\n0.861735 0.000000 0.500000 Cd\n0.380803 0.619197 0.838742 Cd\n0.545551 0.656439 0.775971 Cd\n0.656439 0.110888 0.775971 Cd\n0.761606 0.380803 0.838742 Cd\n0.738146 0.261854 0.345330 Cd\n0.261854 0.738146 0.345330 Cd\n0.393360 0.393360 0.000000 Cd\n0.656439 0.110888 0.224029 Cd\n0.238394 0.619197 0.161258 Cd\n0.889112 0.343561 0.775971 Cd\n0.553753 0.446247 0.000000 Cd\n0.316660 0.083440 0.000000 Cd\n0.905615 0.094385 0.761631 Cd\n0.476292 0.738146 0.345330 Cd\n0.343561 0.889112 0.775971 Cd\n0.619197 0.238394 0.838742 Cd\n0.720994 0.129143 0.500000 Cd\n0.454449 0.110888 0.775971 Cd\n0.916560 0.683340 0.000000 Cd\n0.889112 0.343561 0.224029 Cd\n0.094385 0.905615 0.761631 Cd\n0.000000 0.000000 0.500000 Cd\n0.279006 0.408148 0.500000 Cd\n0.905615 0.811230 0.238369 Cd\n0.579572 0.000000 0.500000 Cd\n0.261854 0.738146 0.654670 Cd\n0.766779 0.683340 0.000000 Cd\n0.500000 0.000000 0.246198 Cd\n0.683340 0.766779 0.000000 Cd\n0.606640 0.606640 0.000000 Cd\n0.380803 0.761606 0.161258 Cd\n0.110888 0.656439 0.775971 Cd\n0.642282 0.821141 0.243085 Cd\n","nsites":167,"nelements":2,"elements":["Na","Cd"],"chemical_system":"Cd-Na","density":6.827834141102784,"density_atomic":0.04174894992948211,"volume":4000.1006080890334,"volume_molar":14.424652045553145,"formula_full":"Na26 Cd141","formula_reduced":"Na26Cd141","formula_anonymous":"A26B141","energy":-176.73890609,"energy_per_atom":-1.0583168029341317,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-176.73890609,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":0.0172326,"is_theoretical":false,"updated_at":"2021-11-28T01:38:07.081000Z","spacegroup":191},{"id":"mp-1198567","created_at":"2022-09-04T14:46:15.504823Z","structure_string":"Sr25 Ti39 O103\n1.0\n-5.640651 0.024784 0.000000\n0.000000 0.000000 -19.603594\n0.133172 -30.066019 0.000000\nSr Ti O\n25 39 103\ndirect\n0.505055 -0.000000 0.189972 Sr\n0.494945 -0.000000 0.810028 Sr\n0.509582 0.795364 0.188742 Sr\n0.509582 0.204636 0.188742 Sr\n0.490418 0.204636 0.811258 Sr\n0.490418 0.795364 0.811258 Sr\n0.493309 0.597380 0.194328 Sr\n0.493309 0.402620 0.194328 Sr\n0.506691 0.402620 0.805672 Sr\n0.506691 0.597380 0.805672 Sr\n0.000915 -0.000000 0.094460 Sr\n0.999085 -0.000000 0.905540 Sr\n0.002281 0.803389 0.091830 Sr\n0.002281 0.196611 0.091830 Sr\n0.997719 0.196611 0.908170 Sr\n0.997719 0.803389 0.908170 Sr\n-0.000137 0.600908 0.089223 Sr\n-0.000137 0.399092 0.089223 Sr\n0.000137 0.399092 0.910777 Sr\n0.000137 0.600908 0.910777 Sr\n0.500000 -0.000000 -0.000000 Sr\n0.500000 0.802603 -0.000000 Sr\n0.500000 0.197397 -0.000000 Sr\n0.500000 0.600698 -0.000000 Sr\n0.500000 0.399302 -0.000000 Sr\n0.345945 0.912406 0.288736 Ti\n0.345945 0.087594 0.288736 Ti\n0.654055 0.087594 0.711264 Ti\n0.654055 0.912406 0.711264 Ti\n0.846912 0.844201 0.295066 Ti\n0.846912 0.155799 0.295066 Ti\n0.153088 0.155799 0.704934 Ti\n0.153088 0.844201 0.704934 Ti\n0.976579 0.676816 0.272133 Ti\n0.976579 0.323184 0.272133 Ti\n0.023421 0.323184 0.727867 Ti\n0.023421 0.676816 0.727867 Ti\n0.983086 0.500000 0.271406 Ti\n0.016914 0.500000 0.728594 Ti\n0.004787 0.898121 0.187189 Ti\n0.004787 0.101879 0.187189 Ti\n0.995213 0.101879 0.812811 Ti\n0.995213 0.898121 0.812811 Ti\n0.015784 0.698621 0.178861 Ti\n0.015784 0.301379 0.178861 Ti\n0.984216 0.301379 0.821139 Ti\n0.984216 0.698621 0.821139 Ti\n0.011366 0.500000 0.177020 Ti\n0.988634 0.500000 0.822979 Ti\n0.499536 0.900399 0.094312 Ti\n0.499536 0.099601 0.094312 Ti\n0.500463 0.099601 0.905688 Ti\n0.500463 0.900399 0.905688 Ti\n0.503568 0.699008 0.092020 Ti\n0.503568 0.300992 0.092020 Ti\n0.496432 0.300992 0.907980 Ti\n0.496432 0.699008 0.907980 Ti\n0.504221 0.500000 0.091523 Ti\n0.495779 0.500000 0.908477 Ti\n-0.000000 0.900936 -0.000000 Ti\n-0.000000 0.099064 -0.000000 Ti\n-0.000000 0.702322 -0.000000 Ti\n-0.000000 0.297678 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0.226516 O\n0.238783 0.309623 0.773484 O\n0.238783 0.690377 0.773484 O\n0.230718 0.500000 0.233708 O\n0.769282 0.500000 0.766292 O\n0.763831 0.500000 0.226027 O\n0.236169 0.500000 0.773973 O\n0.992291 -0.000000 0.192876 O\n0.007709 -0.000000 0.807124 O\n0.029499 0.796811 0.178154 O\n0.029499 0.203189 0.178154 O\n0.970501 0.203189 0.821846 O\n0.970501 0.796811 0.821846 O\n0.014707 0.597921 0.174825 O\n0.014707 0.402079 0.174825 O\n0.985293 0.402079 0.825175 O\n0.985293 0.597921 0.825175 O\n0.245513 0.906835 0.139775 O\n0.245513 0.093165 0.139775 O\n0.754487 0.093165 0.860225 O\n0.754487 0.906835 0.860225 O\n0.744500 0.901397 0.145099 O\n0.744500 0.098603 0.145099 O\n0.255500 0.098603 0.854901 O\n0.255500 0.901397 0.854901 O\n0.307379 0.695785 0.144631 O\n0.307379 0.304215 0.144631 O\n0.692621 0.304215 0.855369 O\n0.692621 0.695785 0.855369 O\n0.790470 0.701240 0.131375 O\n0.790470 0.298760 0.131375 O\n0.209530 0.298760 0.868625 O\n0.209530 0.701240 0.868625 O\n0.308896 0.500000 0.143404 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O\n-0.000000 -0.000000 -0.000000 O\n-0.000000 0.802038 -0.000000 O\n-0.000000 0.197962 -0.000000 O\n-0.000000 0.601975 -0.000000 O\n-0.000000 0.398025 -0.000000 O\n","nsites":167,"nelements":3,"elements":["Sr","Ti","O"],"chemical_system":"O-Sr-Ti","density":2.849649615977124,"density_atomic":0.05023241597800492,"volume":3324.546445727867,"volume_molar":11.988554885826899,"formula_full":"Sr25 Ti39 O103","formula_reduced":"Sr25Ti39O103","formula_anonymous":"A25B39C103","energy":-1443.98467756,"energy_per_atom":-8.646614835688622,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-1373.22367756,"band_gap":1.9422,"is_gap_direct":true,"is_magnetic":false,"total_magnetization":0.0005795,"is_theoretical":true,"updated_at":"2021-11-28T01:37:28.173000Z","spacegroup":10},{"id":"mp-1214998","created_at":"2022-09-04T14:40:05.121381Z","structure_string":"Co2 H80 C20 Br4 N40 O20\n1.0\n0.000000 -7.271390 0.000000\n-9.798596 0.000000 1.064449\n0.122209 0.000000 -23.911388\nCo H C Br N O\n2 80 20 4 40 20\ndirect\n0.000000 0.000000 0.000000 Co\n0.500000 0.000000 0.500000 Co\n0.626110 0.315359 0.948549 H\n0.373890 0.684641 0.051451 H\n0.126110 0.684641 0.551451 H\n0.873890 0.315359 0.448549 H\n0.635653 0.562350 0.927467 H\n0.364347 0.437650 0.072533 H\n0.135653 0.437650 0.572533 H\n0.864347 0.562350 0.427467 H\n0.692102 0.267282 0.852977 H\n0.307898 0.732718 0.147023 H\n0.192102 0.732718 0.647023 H\n0.807898 0.267282 0.352977 H\n0.436038 0.860844 0.833738 H\n0.563962 0.139156 0.166262 H\n0.936038 0.139156 0.666262 H\n0.063962 0.860844 0.333738 H\n0.547990 0.869108 0.743991 H\n0.452010 0.130892 0.256009 H\n0.047990 0.130892 0.756009 H\n0.952010 0.869108 0.243991 H\n0.844155 0.609488 0.500315 H\n0.155845 0.390512 0.499685 H\n0.344155 0.390512 0.999685 H\n0.655845 0.609488 0.000315 H\n0.986075 0.713141 0.758595 H\n0.013925 0.286859 0.241405 H\n0.486075 0.286859 0.741405 H\n0.513925 0.713141 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0.000000\n-3.227882 12.674210 0.000000\n-3.558342 -5.166530 13.246710\nMn H C N O\n2 60 16 52 36\ndirect\n0.730510 0.667875 0.866277 Mn\n0.269490 0.332125 0.133723 Mn\n0.985390 0.725763 0.832550 H\n0.014610 0.274237 0.167450 H\n0.084006 0.671184 0.710675 H\n0.915994 0.328816 0.289325 H\n0.965476 0.568109 0.594929 H\n0.034524 0.431891 0.405071 H\n0.729033 0.468468 0.571484 H\n0.270967 0.531532 0.428516 H\n0.472256 0.514993 0.749100 H\n0.527744 0.485007 0.250900 H\n0.365660 0.399014 0.590520 H\n0.634340 0.600986 0.409480 H\n0.482197 0.375370 0.515057 H\n0.517803 0.624630 0.484943 H\n0.812278 0.491706 0.881633 H\n0.187722 0.508294 0.118367 H\n0.886362 0.433552 0.014052 H\n0.113638 0.566448 0.985948 H\n0.855299 0.495934 0.126204 H\n0.144701 0.504066 0.873796 H\n0.746843 0.624729 0.143649 H\n0.253157 0.375271 0.856351 H\n0.479382 0.670246 0.911678 H\n0.520618 0.329754 0.088322 H\n0.448640 0.715226 0.065155 H\n0.551360 0.284774 0.934845 H\n0.548856 0.673318 0.155837 H\n0.451144 0.326682 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