{"count":146323,"next":"https://simmate.org/third-parties/MatprojStructure/?format=json&ordering=nsites&page=12166","previous":"https://simmate.org/third-parties/MatprojStructure/?format=json&ordering=nsites&page=12164","results":[{"id":"mp-1024087","created_at":"2022-09-04T14:42:11.820614Z","structure_string":"Zr63 S128\n1.0\n-7.360440 -12.754194 -0.005655\n-7.355575 12.751372 0.014206\n0.014189 -0.019658 -25.193701\nZr S\n63 128\ndirect\n0.999925 0.999938 0.000789 Zr\n0.000001 1.000002 0.750000 Zr\n0.999990 0.000054 0.499208 Zr\n0.996803 -0.000046 0.250035 Zr\n0.999929 0.249990 0.000793 Zr\n0.000001 0.250003 0.749997 Zr\n0.999986 0.249936 0.499203 Zr\n0.996750 0.246766 0.250017 Zr\n0.999984 0.499984 0.000375 Zr\n-0.000003 0.500003 0.749963 Zr\n0.999995 0.499982 0.498938 Zr\n0.999609 0.499253 0.250562 Zr\n0.999984 0.750006 0.000374 Zr\n-0.000003 0.750004 0.749963 Zr\n0.999990 0.750013 0.498939 Zr\n0.999614 0.750351 0.250552 Zr\n0.750041 0.750058 0.000797 Zr\n0.749997 0.749997 0.750001 Zr\n0.749958 0.750010 0.499204 Zr\n0.750028 0.753265 0.250018 Zr\n0.749990 0.999994 0.001110 Zr\n0.750000 1.000000 0.750000 Zr\n0.750011 0.000005 0.498891 Zr\n0.750042 0.249990 0.000796 Zr\n0.750003 0.250003 0.749999 Zr\n0.749959 0.249941 0.499202 Zr\n0.749971 0.246735 0.249982 Zr\n0.750032 0.500025 0.000552 Zr\n0.750000 0.500000 0.750000 Zr\n0.749968 0.499976 0.499448 Zr\n0.750000 0.500000 0.250000 Zr\n0.500005 0.500018 0.001061 Zr\n0.500003 0.499998 0.750037 Zr\n0.500015 0.500016 0.499625 Zr\n0.500391 0.500747 0.249438 Zr\n0.500014 0.750063 0.000796 Zr\n0.499999 0.749997 0.750002 Zr\n0.500072 0.750011 0.499207 Zr\n0.503249 0.753234 0.249984 Zr\n0.500009 0.999946 0.000792 Zr\n0.499998 -0.000002 0.750000 Zr\n0.500074 0.000062 0.499210 Zr\n0.503197 1.000045 0.249966 Zr\n0.500009 0.249987 0.001061 Zr\n0.500004 0.249996 0.750037 Zr\n0.500015 0.249994 0.499626 Zr\n0.500385 0.249648 0.249448 Zr\n0.249977 0.249994 0.001055 Zr\n0.250001 0.249997 0.750037 Zr\n0.249983 0.249988 0.499627 Zr\n0.249293 0.249644 0.249444 Zr\n0.249984 0.500027 0.000554 Zr\n0.250000 0.500000 0.750000 Zr\n0.250016 0.499972 0.499446 Zr\n0.250001 0.500001 0.250000 Zr\n0.250018 0.750012 0.000372 Zr\n0.249999 0.750003 0.749963 Zr\n0.250022 0.750006 0.498945 Zr\n0.250707 0.750355 0.250556 Zr\n0.249975 0.999955 0.000550 Zr\n0.250000 1.000000 0.750000 Zr\n0.250024 0.000045 0.499450 Zr\n0.250000 0.000000 0.250000 Zr\n0.916464 0.083155 0.942870 S\n0.916658 0.083256 0.692030 S\n0.916835 0.083339 0.441165 S\n0.921631 0.085810 0.193057 S\n0.916488 0.332921 0.942618 S\n0.916644 0.333237 0.692018 S\n0.916497 0.332919 0.441130 S\n0.917559 0.335071 0.191598 S\n0.916494 0.583177 0.942384 S\n0.916632 0.583243 0.692007 S\n0.916301 0.583093 0.441222 S\n0.916871 0.583364 0.192203 S\n0.916482 0.833432 0.942610 S\n0.916646 0.833269 0.692019 S\n0.916496 0.833436 0.441129 S\n0.917585 0.832343 0.191591 S\n0.666766 0.833459 0.942871 S\n0.666659 0.833256 0.692031 S\n0.666594 0.833092 0.441165 S\n0.664138 0.828370 0.193124 S\n0.666749 0.083159 0.942867 S\n0.666659 0.083256 0.692031 S\n0.666578 0.083345 0.441171 S\n0.664109 0.085774 0.193128 S\n0.666377 0.332960 0.942791 S\n0.666634 0.333247 0.692043 S\n0.666381 0.333251 0.441531 S\n0.666388 0.333935 0.191642 S\n0.666365 0.583282 0.942791 S\n0.666635 0.583247 0.692042 S\n0.666382 0.582982 0.441529 S\n0.666397 0.582314 0.191626 S\n0.416976 0.583294 0.942790 S\n0.416674 0.583246 0.692046 S\n0.416667 0.582987 0.441532 S\n0.415991 0.582299 0.191625 S\n0.416997 0.833434 0.942612 S\n0.416684 0.833268 0.692021 S\n0.417002 0.833427 0.441127 S\n0.414820 0.832349 0.191598 S\n0.416966 0.083535 0.942784 S\n0.416669 0.083278 0.692043 S\n0.416679 0.083554 0.441533 S\n0.415970 0.083530 0.191635 S\n0.416656 0.333263 0.943056 S\n0.416662 0.333252 0.692078 S\n0.416676 0.333268 0.441720 S\n0.416688 0.333276 0.191624 S\n0.166621 0.332957 0.942791 S\n0.166673 0.333244 0.692045 S\n0.166935 0.333245 0.441530 S\n0.167646 0.333949 0.191633 S\n0.166739 0.583172 0.942387 S\n0.166669 0.583243 0.692008 S\n0.166857 0.583088 0.441227 S\n0.166533 0.583360 0.192203 S\n0.166739 0.833427 0.942384 S\n0.166671 0.833282 0.692008 S\n0.166847 0.833643 0.441229 S\n0.166538 0.833036 0.192204 S\n0.166624 0.083544 0.942788 S\n0.166670 0.083279 0.692043 S\n0.166947 0.083552 0.441530 S\n0.167646 0.083534 0.191625 S\n0.833340 0.916744 0.807969 S\n0.833251 0.916841 0.557133 S\n0.835890 0.914228 0.306872 S\n0.833421 0.916656 0.058829 S\n0.833341 0.166744 0.807969 S\n0.833231 0.166531 0.557129 S\n0.835862 0.171631 0.306876 S\n0.833412 0.166911 0.058835 S\n0.833365 0.416753 0.807958 S\n0.833635 0.416717 0.557209 S\n0.833601 0.417686 0.308374 S\n0.833619 0.417018 0.058471 S\n0.833365 0.666753 0.807957 S\n0.833624 0.667040 0.557209 S\n0.833611 0.666065 0.308358 S\n0.833622 0.666751 0.058470 S\n0.583357 0.666764 0.807982 S\n0.583511 0.667080 0.557382 S\n0.582440 0.664929 0.308401 S\n0.583506 0.667081 0.058867 S\n0.583341 0.916744 0.807970 S\n0.583534 0.916844 0.557130 S\n0.578368 0.914190 0.306943 S\n0.583166 0.916662 0.058836 S\n0.583354 0.166731 0.807981 S\n0.583519 0.166568 0.557390 S\n0.582415 0.167657 0.308409 S\n0.583504 0.166564 0.058871 S\n0.583368 0.416757 0.807993 S\n0.583505 0.416823 0.557616 S\n0.583128 0.416636 0.307797 S\n0.583699 0.416907 0.058778 S\n0.333329 0.416756 0.807991 S\n0.333261 0.416828 0.557613 S\n0.333467 0.416641 0.307797 S\n0.333141 0.416913 0.058773 S\n0.333327 0.666756 0.807955 S\n0.333379 0.667044 0.557209 S\n0.332357 0.666056 0.308370 S\n0.333064 0.666755 0.058470 S\n0.333330 0.916721 0.807957 S\n0.333376 0.916456 0.557212 S\n0.332354 0.916466 0.308375 S\n0.333053 0.916447 0.058470 S\n0.333329 0.166718 0.807992 S\n0.333262 0.166573 0.557616 S\n0.333462 0.166964 0.307796 S\n0.333154 0.166357 0.058771 S\n0.083315 0.166732 0.807979 S\n0.083010 0.166566 0.557388 S\n0.085180 0.167651 0.308402 S\n0.082999 0.166573 0.058873 S\n0.083326 0.416754 0.807954 S\n0.083022 0.416705 0.557209 S\n0.084009 0.417702 0.308375 S\n0.083332 0.417011 0.058468 S\n0.083339 0.666749 0.807922 S\n0.083344 0.666737 0.556943 S\n0.083312 0.666724 0.308376 S\n0.083325 0.666733 0.058279 S\n0.083330 0.916722 0.807957 S\n0.083034 0.916464 0.557216 S\n0.084029 0.916471 0.308365 S\n0.083321 0.916446 0.058467 S\n","nsites":191,"nelements":2,"elements":["Zr","S"],"chemical_system":"S-Zr","density":3.459885453803593,"density_atomic":0.04039676860871691,"volume":4728.1009491136765,"volume_molar":14.907481383796942,"formula_full":"Zr63 S128","formula_reduced":"Zr63S128","formula_anonymous":"A63B128","energy":-1413.31475425,"energy_per_atom":-7.399553687172776,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-1348.93075425,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":true,"total_magnetization":2.0737017,"is_theoretical":true,"updated_at":"2021-11-28T01:35:37.075000Z","spacegroup":164},{"id":"mp-1199458","created_at":"2022-09-04T14:43:12.259160Z","structure_string":"Co12 B6 P24 H12 Pb24 Cl6 O108\n1.0\n-4.918416 -8.519084 0.000002\n4.918419 -8.519086 0.000007\n0.000017 -5.679404 30.763960\nCo B P H Pb Cl O\n12 6 24 12 24 6 108\ndirect\n0.813308 0.549695 0.339824 Co\n0.549671 0.297198 0.339822 Co\n0.297243 0.813299 0.339830 Co\n0.313309 0.797174 0.839824 Co\n0.797243 0.049631 0.839830 Co\n0.049671 0.313310 0.839822 Co\n0.186698 0.450340 0.660174 Co\n0.450341 0.702783 0.660177 Co\n0.702767 0.186694 0.660173 Co\n0.686697 0.202786 0.160175 Co\n0.202766 0.950364 0.160173 Co\n0.950341 0.686697 0.160177 Co\n0.249996 0.729546 0.250001 B\n0.729538 0.770467 0.249998 B\n0.770463 0.249999 0.250002 B\n0.749997 0.270455 0.750002 B\n0.270463 0.229536 0.750002 B\n0.229538 0.749996 0.749997 B\n0.927045 0.494375 0.439349 P\n0.494371 0.139239 0.439345 P\n0.139200 0.927056 0.439350 P\n0.427046 0.639224 0.939350 P\n0.639204 0.994391 0.939347 P\n0.994370 0.427045 0.939346 P\n0.072949 0.505613 0.560658 P\n0.505623 0.860764 0.560660 P\n0.860794 0.072943 0.560656 P\n0.572949 0.360789 0.060656 P\n0.360791 0.005611 0.060658 P\n0.005623 0.572953 0.060659 P\n0.167648 0.576266 0.323941 P\n0.576265 0.932150 0.323939 P\n0.932169 0.167643 0.323940 P\n0.667644 0.432148 0.823942 P\n0.432165 0.076256 0.823940 P\n0.076258 0.667652 0.823938 P\n0.832344 0.423750 0.676060 P\n0.423738 0.067846 0.676059 P\n0.067823 0.832361 0.676059 P\n0.332349 0.567843 0.176058 P\n0.567828 0.923749 0.176059 P\n0.923744 0.332352 0.176061 P\n0.795048 0.534383 0.259948 H\n0.534385 0.410650 0.259948 H\n0.410710 0.794943 0.259949 H\n0.295047 0.910620 0.759948 H\n0.910712 0.034396 0.759949 H\n0.034385 0.295016 0.759948 H\n0.205013 0.465600 0.740054 H\n0.465604 0.589337 0.740054 H\n0.589311 0.205030 0.740056 H\n0.705013 0.089334 0.240054 H\n0.089309 0.965606 0.240056 H\n0.965603 0.705005 0.240054 H\n0.738802 0.470671 0.562954 Pb\n0.470750 0.227555 0.562917 Pb\n0.227638 0.738698 0.562964 Pb\n0.238773 0.727604 0.062961 Pb\n0.727627 0.970717 0.062957 Pb\n0.970743 0.238804 0.062916 Pb\n0.261206 0.529321 0.437050 Pb\n0.529268 0.772428 0.437083 Pb\n0.772360 0.261301 0.437037 Pb\n0.761236 0.272389 0.937044 Pb\n0.272372 0.029285 0.937043 Pb\n0.029274 0.761196 0.937084 Pb\n0.125978 0.125893 0.622255 Pb\n0.625979 0.625887 0.122255 Pb\n0.874017 0.874145 0.377754 Pb\n0.374017 0.374071 0.877753 Pb\n0.167511 0.167574 0.497346 Pb\n0.667508 0.667572 0.997346 Pb\n0.832471 0.832441 0.502660 Pb\n0.332473 0.332425 0.002660 Pb\n0.213099 0.213125 0.360682 Pb\n0.713099 0.713116 0.860682 Pb\n0.786864 0.786887 0.639323 Pb\n0.286864 0.286901 0.139323 Pb\n0.546133 0.546139 0.361630 Cl\n0.046132 0.046097 0.861631 Cl\n0.453868 0.453879 0.638374 Cl\n0.953868 0.953881 0.138375 Cl\n0.499998 0.500001 0.500003 Cl\n0.000000 0.999997 0.000003 Cl\n0.844646 0.466286 0.405311 O\n0.466292 0.283753 0.405306 O\n0.283731 0.844655 0.405311 O\n0.344654 0.783750 0.905311 O\n0.783733 0.966302 0.905310 O\n0.966293 0.344644 0.905307 O\n0.155370 0.533683 0.594691 O\n0.533698 0.716255 0.594694 O\n0.716270 0.155341 0.594691 O\n0.655363 0.216262 0.094691 O\n0.216268 0.033700 0.094691 O\n0.033698 0.655361 0.094694 O\n0.818897 0.328498 0.642505 O\n0.328498 0.210100 0.642504 O\n0.210088 0.818898 0.642504 O\n0.318898 0.710099 0.142504 O\n0.710089 0.828512 0.142503 O\n0.828497 0.318896 0.142505 O\n0.181094 0.671504 0.357498 O\n0.671473 0.789908 0.357499 O\n0.789918 0.181117 0.357497 O\n0.681091 0.289904 0.857499 O\n0.289916 0.171467 0.857498 O\n0.171472 0.681123 0.857498 O\n0.889873 0.594073 0.572099 O\n0.594081 0.943949 0.572097 O\n0.943979 0.889857 0.572096 O\n0.389873 0.443952 0.072099 O\n0.443979 0.094067 0.072096 O\n0.094080 0.389871 0.072097 O\n0.110132 0.405930 0.427903 O\n0.405931 0.056033 0.427904 O\n0.056017 0.110138 0.427906 O\n0.610134 0.556037 0.927903 O\n0.556015 0.905939 0.927905 O\n0.905932 0.610133 0.927904 O\n0.977490 0.135631 0.560998 O\n0.135623 0.325898 0.560997 O\n0.325902 0.977478 0.560999 O\n0.477488 0.825884 0.060999 O\n0.825902 0.635621 0.060998 O\n0.635626 0.477485 0.060997 O\n0.022505 0.864374 0.439004 O\n0.864357 0.674103 0.439003 O\n0.674097 0.022531 0.439004 O\n0.522508 0.174114 0.939004 O\n0.174097 0.364368 0.939004 O\n0.364354 0.522534 0.939003 O\n0.144190 0.679197 0.278487 O\n0.679194 0.898135 0.278485 O\n0.898127 0.144185 0.278488 O\n0.644191 0.398122 0.778487 O\n0.398130 0.179202 0.778488 O\n0.179190 0.644190 0.778484 O\n0.855798 0.320808 0.721517 O\n0.320802 0.101866 0.721519 O\n0.101873 0.855812 0.721515 O\n0.355799 0.601880 0.221517 O\n0.601870 0.820796 0.221516 O\n0.820807 0.355810 0.221520 O\n0.754982 0.624523 0.277208 O\n0.624521 0.343302 0.277210 O\n0.343310 0.754957 0.277210 O\n0.254978 0.843288 0.777206 O\n0.843311 0.124519 0.777211 O\n0.124520 0.254971 0.777210 O\n0.245027 0.375476 0.722792 O\n0.375477 0.656693 0.722791 O\n0.656697 0.245029 0.722794 O\n0.745031 0.156705 0.222793 O\n0.156696 0.875483 0.222793 O\n0.875476 0.745036 0.222791 O\n0.888596 0.421177 0.484074 O\n0.421181 0.206178 0.484069 O\n0.206154 0.888579 0.484075 O\n0.388594 0.706152 0.984075 O\n0.706152 0.921199 0.984073 O\n0.921174 0.388577 0.984070 O\n0.111416 0.578827 0.515927 O\n0.578822 0.793817 0.515930 O\n0.793837 0.111418 0.515927 O\n0.611418 0.293832 0.015927 O\n0.293837 0.078812 0.015929 O\n0.078829 0.611424 0.015930 O\n0.018152 0.563111 0.336396 O\n0.563128 0.082332 0.336396 O\n0.082352 0.018138 0.336396 O\n0.518149 0.582349 0.836396 O\n0.582349 0.063117 0.836397 O\n0.063128 0.518144 0.836396 O\n0.981835 0.436896 0.663604 O\n0.436869 0.917673 0.663604 O\n0.917650 0.981850 0.663605 O\n0.481838 0.417657 0.163605 O\n0.417652 0.936890 0.163605 O\n0.936870 0.481853 0.163604 O\n0.952340 0.314106 0.322757 O\n0.314103 0.410817 0.322761 O\n0.410804 0.952338 0.322758 O\n0.452341 0.910798 0.822758 O\n0.910803 0.814103 0.822758 O\n0.814103 0.452319 0.822762 O\n0.047673 0.685899 0.677241 O\n0.685891 0.589185 0.677240 O\n0.589174 0.047673 0.677240 O\n0.547670 0.089187 0.177240 O\n0.089177 0.185906 0.177240 O\n0.185892 0.547683 0.177240 O\n","nsites":192,"nelements":7,"elements":["Co","B","P","H","Pb","Cl","O"],"chemical_system":"B-Cl-Co-H-O-P-Pb","density":5.436903124691487,"density_atomic":0.07447503137361615,"volume":2578.045238232941,"volume_molar":8.086120474107554,"formula_full":"Co12 B6 P24 H12 Pb24 Cl6 O108","formula_reduced":"Co2BP4H2Pb4ClO18","formula_anonymous":"ABC2D2E4F4G18","energy":-1353.65127195,"energy_per_atom":-7.05026704140625,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-1256.11527195,"band_gap":3.0187,"is_gap_direct":false,"is_magnetic":true,"total_magnetization":36.0012837,"is_theoretical":false,"updated_at":"2021-11-28T01:36:09.402000Z","spacegroup":167},{"id":"mp-680326","created_at":"2022-09-04T14:47:24.553969Z","structure_string":"P24 C48 S48 N72\n1.0\n35.073590 0.000000 0.000000\n0.000000 8.112088 0.000000\n0.000000 2.871161 13.585162\nP C S N\n24 48 48 72\ndirect\n0.279795 0.902944 0.465685 P\n0.966365 0.970054 0.272313 P\n0.284221 0.789196 0.879573 P\n0.780727 0.117837 0.230514 P\n0.715779 0.210804 0.120427 P\n0.027446 0.845796 0.181540 P\n0.972554 0.154204 0.818460 P\n0.779795 0.097056 0.034315 P\n0.036716 0.922054 0.366507 P\n0.463284 0.922054 0.866507 P\n0.033635 0.029946 0.727687 P\n0.220205 0.902944 0.965685 P\n0.536716 0.077946 0.133493 P\n0.280727 0.882163 0.269486 P\n0.466365 0.029946 0.227687 P\n0.533635 0.970054 0.772313 P\n0.219273 0.882163 0.769486 P\n0.719273 0.117837 0.730514 P\n0.527446 0.154204 0.318460 P\n0.784221 0.210804 0.620427 P\n0.472554 0.845796 0.681540 P\n0.720205 0.097056 0.534315 P\n0.963284 0.077946 0.633493 P\n0.215779 0.789196 0.379573 P\n0.899729 0.778732 0.309097 C\n0.265690 0.215070 0.189833 C\n0.574455 0.005928 0.473893 C\n0.466565 0.515398 0.643951 C\n0.427130 0.214851 0.894746 C\n0.034400 0.672133 0.537465 C\n0.734310 0.784930 0.810167 C\n0.069073 0.728786 0.821601 C\n0.835877 0.194406 0.351057 C\n0.194811 0.452163 0.429327 C\n0.925545 0.005928 0.973893 C\n0.295260 0.232574 0.468669 C\n0.100271 0.221268 0.690903 C\n0.335877 0.805594 0.148943 C\n0.164123 0.805594 0.648943 C\n0.425545 0.994072 0.526107 C\n0.663353 0.989241 0.218653 C\n0.534400 0.327867 0.962535 C\n0.572870 0.785149 0.105254 C\n0.328373 0.714214 0.607346 C\n0.569073 0.271214 0.678399 C\n0.828373 0.285786 0.892654 C\n0.927130 0.785149 0.605254 C\n0.966565 0.484602 0.856049 C\n0.204740 0.232574 0.968669 C\n0.533435 0.484602 0.356049 C\n0.163353 0.010759 0.281347 C\n0.465600 0.672133 0.037465 C\n0.171627 0.714214 0.107346 C\n0.836647 0.989241 0.718653 C\n0.671627 0.285786 0.392654 C\n0.704740 0.767426 0.531331 C\n0.033435 0.515398 0.143951 C\n0.430927 0.728786 0.321601 C\n0.074455 0.994072 0.026107 C\n0.930927 0.271214 0.178399 C\n0.765690 0.784930 0.310167 C\n0.795260 0.767426 0.031331 C\n0.399729 0.221268 0.190903 C\n0.305189 0.452163 0.929327 C\n0.805189 0.547837 0.570673 C\n0.234310 0.215070 0.689833 C\n0.965600 0.327867 0.462535 C\n0.600271 0.778732 0.809097 C\n0.664123 0.194406 0.851057 C\n0.072870 0.214851 0.394746 C\n0.336647 0.010759 0.781347 C\n0.694811 0.547837 0.070673 C\n0.892152 0.941353 0.045845 S\n0.960967 0.662668 0.880240 S\n0.085199 0.396587 0.401918 S\n0.523774 0.462572 0.869128 S\n0.607848 0.941353 0.545845 S\n0.254668 0.404118 0.180335 S\n0.129725 0.823715 0.576791 S\n0.039033 0.337332 0.119760 S\n0.190532 0.417873 0.936105 S\n0.245332 0.404118 0.680335 S\n0.309468 0.417873 0.436105 S\n0.644529 0.854167 0.300914 S\n0.585199 0.603413 0.098082 S\n0.023774 0.537428 0.630872 S\n0.476226 0.537428 0.130872 S\n0.691321 0.743165 0.054004 S\n0.539033 0.662668 0.380240 S\n0.370275 0.823715 0.076791 S\n0.360792 0.623716 0.675348 S\n0.855471 0.854167 0.800914 S\n0.639208 0.376284 0.324652 S\n0.754668 0.595882 0.319665 S\n0.139208 0.623716 0.175348 S\n0.410096 0.574888 0.385840 S\n0.808679 0.743165 0.554004 S\n0.362605 0.325800 0.193297 S\n0.862605 0.674200 0.306703 S\n0.809468 0.582127 0.063895 S\n0.629725 0.176285 0.923209 S\n0.870275 0.176285 0.423209 S\n0.107848 0.058647 0.954155 S\n0.745332 0.595882 0.819665 S\n0.137395 0.325800 0.693297 S\n0.392152 0.058647 0.454155 S\n0.191321 0.256835 0.445996 S\n0.637395 0.674200 0.806703 S\n0.690532 0.582127 0.563895 S\n0.589904 0.425112 0.614160 S\n0.308679 0.256835 0.945996 S\n0.144529 0.145833 0.199086 S\n0.914801 0.603413 0.598082 S\n0.089904 0.574888 0.885840 S\n0.460967 0.337332 0.619760 S\n0.414801 0.396587 0.901918 S\n0.976226 0.462572 0.369128 S\n0.355471 0.145833 0.699086 S\n0.910096 0.425112 0.114160 S\n0.860792 0.376284 0.824652 S\n0.006715 0.018297 0.636541 N\n0.455073 0.774138 0.965927 N\n0.695530 0.395847 0.080206 N\n0.983930 0.902485 0.181643 N\n0.198092 0.780786 0.058464 N\n0.016070 0.097515 0.818357 N\n0.052765 0.843622 0.767946 N\n0.553570 0.142982 0.226046 N\n0.774907 0.930567 0.306539 N\n0.725093 0.930567 0.806539 N\n0.264092 0.849128 0.970019 N\n0.240876 0.784386 0.283812 N\n0.691176 0.217932 0.794924 N\n0.483930 0.097515 0.318357 N\n0.947235 0.156378 0.232054 N\n0.516070 0.902485 0.681643 N\n0.764092 0.150872 0.529981 N\n0.053570 0.857018 0.273954 N\n0.452909 0.950082 0.578638 N\n0.759124 0.215614 0.716188 N\n0.044927 0.774138 0.465927 N\n0.323081 0.906918 0.848659 N\n0.803171 0.093832 0.133746 N\n0.071430 0.142209 0.683998 N\n0.783531 0.910166 0.002488 N\n0.471514 0.651251 0.664291 N\n0.176919 0.906918 0.348659 N\n0.547091 0.049918 0.421362 N\n0.804470 0.395847 0.580206 N\n0.716469 0.910166 0.502488 N\n0.428570 0.142209 0.183998 N\n0.191176 0.782068 0.705076 N\n0.446430 0.857018 0.773954 N\n0.216469 0.089834 0.997512 N\n0.808824 0.217932 0.294924 N\n0.065140 0.070997 0.390268 N\n0.303171 0.906168 0.366254 N\n0.735908 0.150872 0.029981 N\n0.552765 0.156378 0.732054 N\n0.698092 0.219214 0.441536 N\n0.993285 0.981703 0.363459 N\n0.528486 0.348749 0.335709 N\n0.235908 0.849128 0.470019 N\n0.434860 0.070997 0.890268 N\n0.301908 0.780786 0.558464 N\n0.801908 0.219214 0.941536 N\n0.928570 0.857791 0.316002 N\n0.195530 0.604153 0.419794 N\n0.259124 0.784386 0.783812 N\n0.823081 0.093082 0.651341 N\n0.283531 0.089834 0.497512 N\n0.047091 0.950082 0.078638 N\n0.308824 0.782068 0.205076 N\n0.506715 0.981703 0.863459 N\n0.955073 0.225862 0.534073 N\n0.740876 0.215614 0.216188 N\n0.934860 0.929003 0.609732 N\n0.946430 0.142982 0.726046 N\n0.565140 0.929003 0.109732 N\n0.274907 0.069433 0.193461 N\n0.447235 0.843622 0.267946 N\n0.971514 0.348749 0.835709 N\n0.676919 0.093082 0.151341 N\n0.196829 0.906168 0.866254 N\n0.493285 0.018297 0.136541 N\n0.571430 0.857791 0.816002 N\n0.696829 0.093832 0.633746 N\n0.028486 0.651251 0.164291 N\n0.225093 0.069433 0.693461 N\n0.304470 0.604153 0.919794 N\n0.544927 0.225862 0.034073 N\n0.952909 0.049918 0.921362 N\n","nsites":192,"nelements":4,"elements":["P","C","S","N"],"chemical_system":"C-N-P-S","density":1.6614993827606803,"density_atomic":0.049673359476598046,"volume":3865.25095188004,"volume_molar":12.12348192965916,"formula_full":"P24 C48 S48 N72","formula_reduced":"PC2S2N3","formula_anonymous":"AB2C2D3","energy":-1400.51889094,"energy_per_atom":-7.294369223645833,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-1350.38289094,"band_gap":3.2771,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":0.0018867,"is_theoretical":false,"updated_at":"2021-11-28T01:38:10.070000Z","spacegroup":14},{"id":"mp-646059","created_at":"2022-09-04T14:48:09.536852Z","structure_string":"C156 Cl36\n1.0\n6.530465 -11.311097 0.000000\n6.530465 11.311097 0.000000\n0.000000 0.000000 18.770566\nC Cl\n156 36\ndirect\n0.897968 0.642629 0.825722 C\n0.672172 0.847442 0.212688 C\n0.476435 0.451714 0.250000 C\n0.699924 0.455143 0.959448 C\n0.637925 0.630446 0.750000 C\n0.175270 0.327828 0.212688 C\n0.580323 0.369319 0.959409 C\n0.244781 0.699924 0.459448 C\n0.517815 0.976134 0.683435 C\n0.486773 0.947991 0.376082 C\n0.952098 0.286308 0.816634 C\n0.975279 0.523565 0.250000 C\n0.630446 0.992520 0.250000 C\n0.538782 0.486773 0.876082 C\n0.023866 0.541681 0.683435 C\n0.665790 0.952098 0.316634 C\n0.613651 0.642102 0.287291 C\n0.886814 0.500811 0.918433 C\n0.947991 0.461218 0.876082 C\n0.263977 0.872129 0.402418 C\n0.386004 0.886814 0.081567 C\n0.513227 0.052009 0.623918 C\n0.024721 0.476435 0.750000 C\n0.086487 0.661881 0.123840 C\n0.052009 0.538782 0.123918 C\n0.613651 0.642102 0.212709 C\n0.486773 0.947991 0.123918 C\n0.327828 0.152558 0.787312 C\n0.744661 0.102032 0.825722 C\n0.713692 0.665790 0.816634 C\n0.642102 0.028451 0.787291 C\n0.175270 0.327828 0.287312 C\n0.461218 0.513227 0.123918 C\n0.461218 0.513227 0.376082 C\n0.755219 0.300076 0.540552 C\n0.357371 0.255339 0.674278 C\n0.847442 0.175270 0.787312 C\n0.386349 0.357898 0.712709 C\n0.127871 0.391848 0.097582 C\n0.255339 0.897968 0.325722 C\n0.263977 0.872129 0.097582 C\n0.736023 0.127871 0.902418 C\n0.661881 0.575394 0.876160 C\n0.127871 0.391848 0.402418 C\n0.736023 0.127871 0.597582 C\n0.642629 0.744661 0.174278 C\n0.086487 0.661881 0.376160 C\n0.455143 0.755219 0.459448 C\n0.847442 0.175270 0.712688 C\n0.357371 0.255339 0.825722 C\n0.755219 0.300076 0.959448 C\n0.211003 0.580323 0.040591 C\n0.369319 0.788997 0.040591 C\n0.211003 0.580323 0.459409 C\n0.642102 0.028451 0.712709 C\n0.744661 0.102032 0.674278 C\n0.327828 0.152558 0.712688 C\n0.047902 0.713692 0.183366 C\n0.992520 0.362075 0.750000 C\n0.007480 0.637925 0.250000 C\n0.500811 0.613996 0.081567 C\n0.559047 0.818455 0.081370 C\n0.028451 0.386349 0.212709 C\n0.947991 0.461218 0.623918 C\n0.152558 0.824730 0.287312 C\n0.886814 0.500811 0.581567 C\n0.023866 0.541681 0.816565 C\n0.538782 0.486773 0.623918 C\n0.152558 0.824730 0.212688 C\n0.300076 0.544857 0.040552 C\n0.913513 0.338119 0.623840 C\n0.499189 0.386004 0.918433 C\n0.952098 0.286308 0.683366 C\n0.386349 0.357898 0.787291 C\n0.028451 0.386349 0.287291 C\n0.517815 0.976134 0.816565 C\n0.286308 0.334210 0.316634 C\n0.580323 0.369319 0.540591 C\n0.971549 0.613651 0.712709 C\n0.047902 0.713692 0.316634 C\n0.300076 0.544857 0.459448 C\n0.699924 0.455143 0.540552 C\n0.286308 0.334210 0.183366 C\n0.513227 0.052009 0.876082 C\n0.897968 0.642629 0.674278 C\n0.523565 0.548286 0.750000 C\n0.976134 0.458319 0.183435 C\n0.661881 0.575394 0.623840 C\n0.391848 0.263977 0.597582 C\n0.357898 0.971549 0.212709 C\n0.575394 0.913513 0.376160 C\n0.369554 0.007480 0.750000 C\n0.913513 0.338119 0.876160 C\n0.541681 0.517815 0.183435 C\n0.458319 0.482185 0.816565 C\n0.113186 0.499189 0.081567 C\n0.255339 0.897968 0.174278 C\n0.672172 0.847442 0.287312 C\n0.788997 0.419677 0.959409 C\n0.102032 0.357371 0.325722 C\n0.440953 0.181545 0.581370 C\n0.575394 0.913513 0.123840 C\n0.818455 0.259408 0.581370 C\n0.482185 0.023866 0.316565 C\n0.544857 0.244781 0.959448 C\n0.548286 0.024721 0.250000 C\n0.642629 0.744661 0.325722 C\n0.181545 0.740592 0.081370 C\n0.608152 0.736023 0.402418 C\n0.541681 0.517815 0.316565 C\n0.740592 0.559047 0.581370 C\n0.259408 0.440953 0.081370 C\n0.824730 0.672172 0.712688 C\n0.440953 0.181545 0.918630 C\n0.613996 0.113186 0.918433 C\n0.424606 0.086487 0.623840 C\n0.334210 0.047902 0.816634 C\n0.872129 0.608152 0.597582 C\n0.872129 0.608152 0.902418 C\n0.181545 0.740592 0.418630 C\n0.424606 0.086487 0.876160 C\n0.976134 0.458319 0.316565 C\n0.613996 0.113186 0.581567 C\n0.102032 0.357371 0.174278 C\n0.971549 0.613651 0.787291 C\n0.824730 0.672172 0.787312 C\n0.740592 0.559047 0.918630 C\n0.713692 0.665790 0.683366 C\n0.500811 0.613996 0.418433 C\n0.499189 0.386004 0.581567 C\n0.419677 0.630681 0.459409 C\n0.544857 0.244781 0.540552 C\n0.608152 0.736023 0.097582 C\n0.419677 0.630681 0.040591 C\n0.818455 0.259408 0.918630 C\n0.357898 0.971549 0.287291 C\n0.559047 0.818455 0.418630 C\n0.362075 0.369554 0.250000 C\n0.259408 0.440953 0.418630 C\n0.788997 0.419677 0.540591 C\n0.334210 0.047902 0.683366 C\n0.338119 0.424606 0.376160 C\n0.113186 0.499189 0.418433 C\n0.630681 0.211003 0.959409 C\n0.458319 0.482185 0.683435 C\n0.386004 0.886814 0.418433 C\n0.451714 0.975279 0.750000 C\n0.455143 0.755219 0.040552 C\n0.244781 0.699924 0.040552 C\n0.369319 0.788997 0.459409 C\n0.338119 0.424606 0.123840 C\n0.391848 0.263977 0.902418 C\n0.665790 0.952098 0.183366 C\n0.482185 0.023866 0.183435 C\n0.052009 0.538782 0.376082 C\n0.630681 0.211003 0.540591 C\n0.733937 0.767397 0.040342 Cl\n0.033460 0.266063 0.040342 Cl\n0.232603 0.966540 0.459658 Cl\n0.744979 0.810926 0.650705 Cl\n0.767397 0.033460 0.540342 Cl\n0.934052 0.744979 0.150705 Cl\n0.359533 0.533427 0.849538 Cl\n0.359533 0.533427 0.650462 Cl\n0.255021 0.189074 0.150705 Cl\n0.640467 0.466573 0.349538 Cl\n0.767397 0.033460 0.959658 Cl\n0.640467 0.466573 0.150462 Cl\n0.826106 0.359533 0.349538 Cl\n0.065948 0.255021 0.650705 Cl\n0.533427 0.173894 0.349538 Cl\n0.466573 0.826106 0.849538 Cl\n0.810926 0.065948 0.349295 Cl\n0.533427 0.173894 0.150462 Cl\n0.966540 0.733937 0.959658 Cl\n0.826106 0.359533 0.150462 Cl\n0.173894 0.640467 0.650462 Cl\n0.266063 0.232603 0.959658 Cl\n0.934052 0.744979 0.349295 Cl\n0.189074 0.934052 0.849295 Cl\n0.189074 0.934052 0.650705 Cl\n0.810926 0.065948 0.150705 Cl\n0.255021 0.189074 0.349295 Cl\n0.266063 0.232603 0.540342 Cl\n0.173894 0.640467 0.849538 Cl\n0.033460 0.266063 0.459658 Cl\n0.232603 0.966540 0.040342 Cl\n0.966540 0.733937 0.540342 Cl\n0.744979 0.810926 0.849295 Cl\n0.466573 0.826106 0.650462 Cl\n0.733937 0.767397 0.459658 Cl\n0.065948 0.255021 0.849295 Cl\n","nsites":192,"nelements":2,"elements":["C","Cl"],"chemical_system":"C-Cl","density":1.886254595233897,"density_atomic":0.0692380824737147,"volume":2773.040401182257,"volume_molar":8.697728973482512,"formula_full":"C156 Cl36","formula_reduced":"C13Cl3","formula_anonymous":"A3B13","energy":-1489.75827322,"energy_per_atom":-7.759157673020834,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-1467.65427322,"band_gap":2.0155000000000003,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":0.0024365,"is_theoretical":false,"updated_at":"2021-11-28T01:38:30.196000Z","spacegroup":176},{"id":"mp-740722","created_at":"2022-09-04T14:48:23.569906Z","structure_string":"Na24 Ge8 H88 O72\n1.0\n11.169192 0.000000 0.000000\n0.000000 11.993408 0.000000\n0.000000 0.000000 13.202299\nNa Ge H O\n24 8 88 72\ndirect\n0.633274 0.826363 0.128568 Na\n0.866726 0.326363 0.871432 Na\n0.133274 0.173637 0.371432 Na\n0.366726 0.673637 0.628568 Na\n0.366726 0.173637 0.871432 Na\n0.133274 0.673637 0.128568 Na\n0.866726 0.826363 0.628568 Na\n0.633274 0.326363 0.371432 Na\n0.607149 0.682189 0.916919 Na\n0.892851 0.182189 0.083081 Na\n0.107149 0.317811 0.583081 Na\n0.392851 0.817811 0.416919 Na\n0.392851 0.317811 0.083081 Na\n0.107149 0.817811 0.916919 Na\n0.892851 0.682189 0.416919 Na\n0.607149 0.182189 0.583081 Na\n0.375506 0.836483 0.821777 Na\n0.124494 0.336483 0.178223 Na\n0.875506 0.163517 0.678223 Na\n0.624494 0.663517 0.321777 Na\n0.624494 0.163517 0.178223 Na\n0.875506 0.663517 0.821777 Na\n0.124494 0.836483 0.321777 Na\n0.375506 0.336483 0.678223 Na\n0.628679 0.978780 0.869179 Ge\n0.871321 0.478780 0.130821 Ge\n0.128679 0.021220 0.630821 Ge\n0.371321 0.521220 0.369179 Ge\n0.371321 0.021220 0.130821 Ge\n0.128679 0.521220 0.869179 Ge\n0.871321 0.978780 0.369179 Ge\n0.628679 0.478780 0.630821 Ge\n0.496680 0.887642 0.995185 H\n0.003320 0.387642 0.004815 H\n0.996680 0.112358 0.504815 H\n0.503320 0.612358 0.495185 H\n0.503320 0.112358 0.004815 H\n0.996680 0.612358 0.995185 H\n0.003320 0.887642 0.495185 H\n0.496680 0.387642 0.504815 H\n0.506991 0.919855 0.276291 H\n0.993009 0.419855 0.723709 H\n0.006991 0.080145 0.223709 H\n0.493009 0.580145 0.776291 H\n0.493009 0.080145 0.723709 H\n0.006991 0.580145 0.276291 H\n0.993009 0.919855 0.776291 H\n0.506991 0.419855 0.223709 H\n0.626390 0.903191 0.343253 H\n0.873610 0.403191 0.656747 H\n0.126390 0.096809 0.156747 H\n0.373610 0.596809 0.843253 H\n0.373610 0.096809 0.656747 H\n0.126390 0.596809 0.343253 H\n0.873610 0.903191 0.843253 H\n0.626390 0.403191 0.156747 H\n0.649338 0.691358 0.692106 H\n0.850662 0.191358 0.307894 H\n0.149338 0.308642 0.807894 H\n0.350662 0.808642 0.192106 H\n0.350662 0.308642 0.307894 H\n0.149338 0.808642 0.692106 H\n0.850662 0.691358 0.192106 H\n0.649338 0.191358 0.807894 H\n0.663526 0.813214 0.741093 H\n0.836474 0.313214 0.258907 H\n0.163526 0.186786 0.758907 H\n0.336474 0.686786 0.241093 H\n0.336474 0.186786 0.258907 H\n0.163526 0.686786 0.741093 H\n0.836474 0.813214 0.241093 H\n0.663526 0.313214 0.758907 H\n0.698705 0.827438 0.471795 H\n0.801295 0.327438 0.528205 H\n0.198705 0.172562 0.028205 H\n0.301295 0.672562 0.971795 H\n0.301295 0.172562 0.528205 H\n0.198705 0.672562 0.471795 H\n0.801295 0.827438 0.971795 H\n0.698705 0.327438 0.028205 H\n0.659718 0.710899 0.532978 H\n0.840282 0.210899 0.467022 H\n0.159718 0.289101 0.967022 H\n0.340282 0.789101 0.032978 H\n0.340282 0.289101 0.467022 H\n0.159718 0.789101 0.532978 H\n0.840282 0.710899 0.032978 H\n0.659718 0.210899 0.967022 H\n0.762579 0.997654 0.039444 H\n0.737421 0.497654 0.960556 H\n0.262579 0.002346 0.460556 H\n0.237421 0.502346 0.539444 H\n0.237421 0.002346 0.960556 H\n0.262579 0.502346 0.039444 H\n0.737421 0.997654 0.539444 H\n0.762579 0.497654 0.460556 H\n0.805133 0.984232 0.160342 H\n0.694867 0.484232 0.839658 H\n0.305133 0.015768 0.339658 H\n0.194867 0.515768 0.660342 H\n0.194867 0.015768 0.839658 H\n0.305133 0.515768 0.160342 H\n0.694867 0.984232 0.660342 H\n0.805133 0.484232 0.339658 H\n0.375236 0.923269 0.600528 H\n0.124764 0.423269 0.399472 H\n0.875236 0.076731 0.899472 H\n0.624764 0.576731 0.100528 H\n0.624764 0.076731 0.399472 H\n0.875236 0.576731 0.600528 H\n0.124764 0.923269 0.100528 H\n0.375236 0.423269 0.899472 H\n0.501789 0.887089 0.645728 H\n0.998211 0.387089 0.354272 H\n0.001789 0.112911 0.854272 H\n0.498211 0.612911 0.145728 H\n0.498211 0.112911 0.354272 H\n0.001789 0.612911 0.645728 H\n0.998211 0.887089 0.145728 H\n0.501789 0.387089 0.854272 H\n0.541608 0.868479 0.930211 O\n0.958392 0.368479 0.069789 O\n0.041608 0.131521 0.569789 O\n0.458392 0.631521 0.430211 O\n0.458392 0.131521 0.069789 O\n0.041608 0.631521 0.930211 O\n0.958392 0.868479 0.430211 O\n0.541608 0.368479 0.569789 O\n0.779329 0.965825 0.911025 O\n0.720671 0.465825 0.088975 O\n0.279329 0.034175 0.588975 O\n0.220671 0.534175 0.411025 O\n0.220671 0.034175 0.088975 O\n0.279329 0.534175 0.911025 O\n0.720671 0.965825 0.411025 O\n0.779329 0.465825 0.588975 O\n0.571039 0.111834 0.897479 O\n0.928961 0.611834 0.102521 O\n0.071039 0.888166 0.602521 O\n0.428961 0.388166 0.397479 O\n0.428961 0.888166 0.102521 O\n0.071039 0.388166 0.897479 O\n0.928961 0.111834 0.397479 O\n0.571039 0.611834 0.602521 O\n0.603211 0.943458 0.740347 O\n0.896789 0.443458 0.259653 O\n0.103211 0.056542 0.759653 O\n0.396789 0.556542 0.240347 O\n0.396789 0.056542 0.259653 O\n0.103211 0.556542 0.740347 O\n0.896789 0.943458 0.240347 O\n0.603211 0.443458 0.759653 O\n0.558924 0.861680 0.305926 O\n0.941076 0.361680 0.694074 O\n0.058924 0.138320 0.194074 O\n0.441076 0.638320 0.805926 O\n0.441076 0.138320 0.694074 O\n0.058924 0.638320 0.305926 O\n0.941076 0.861680 0.805926 O\n0.558924 0.361680 0.194074 O\n0.699463 0.735910 0.740962 O\n0.800537 0.235910 0.259038 O\n0.199463 0.264090 0.759038 O\n0.300537 0.764090 0.240962 O\n0.300537 0.264090 0.259038 O\n0.199463 0.764090 0.740962 O\n0.800537 0.735910 0.240962 O\n0.699463 0.235910 0.759038 O\n0.721537 0.750550 0.491851 O\n0.778463 0.250550 0.508149 O\n0.221537 0.249450 0.008149 O\n0.278463 0.749450 0.991851 O\n0.278463 0.249450 0.508149 O\n0.221537 0.749450 0.491851 O\n0.778463 0.750550 0.991851 O\n0.721537 0.250550 0.008149 O\n0.740414 0.013811 0.111629 O\n0.759586 0.513811 0.888371 O\n0.240414 0.986189 0.388371 O\n0.259586 0.486189 0.611629 O\n0.259586 0.986189 0.888371 O\n0.240414 0.486189 0.111629 O\n0.759586 0.013811 0.611629 O\n0.740414 0.513811 0.388371 O\n0.433439 0.859276 0.604076 O\n0.066561 0.359276 0.395924 O\n0.933439 0.140724 0.895924 O\n0.566561 0.640724 0.104076 O\n0.566561 0.140724 0.395924 O\n0.933439 0.640724 0.604076 O\n0.066561 0.859276 0.104076 O\n0.433439 0.359276 0.895924 O\n","nsites":192,"nelements":4,"elements":["Na","Ge","H","O"],"chemical_system":"Ge-H-Na-O","density":2.2285885286937415,"density_atomic":0.1085643658308972,"volume":1768.5360986593373,"volume_molar":5.547069440243634,"formula_full":"Na24 Ge8 H88 O72","formula_reduced":"Na3GeH11O9","formula_anonymous":"AB3C9D11","energy":-1017.03926227,"energy_per_atom":-5.297079490989583,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-967.57526227,"band_gap":3.8724,"is_gap_direct":true,"is_magnetic":false,"total_magnetization":0.0091536,"is_theoretical":false,"updated_at":"2021-11-28T01:39:00.975000Z","spacegroup":61},{"id":"mp-699489","created_at":"2022-09-04T14:39:14.173376Z","structure_string":"Cs4 Ti4 H96 S8 O80\n1.0\n12.588590 0.000000 0.000000\n0.000000 12.588590 0.000000\n0.000000 0.000000 12.588590\nCs Ti H S O\n4 4 96 8 80\ndirect\n0.000000 0.000000 0.500000 Cs\n0.000000 0.500000 0.000000 Cs\n0.500000 0.000000 0.000000 Cs\n0.500000 0.500000 0.500000 Cs\n0.500000 0.500000 0.000000 Ti\n0.500000 0.000000 0.500000 Ti\n0.000000 0.500000 0.500000 Ti\n0.000000 0.000000 0.000000 Ti\n0.219603 0.509299 0.231419 H\n0.780397 0.009299 0.268581 H\n0.280397 0.490701 0.731419 H\n0.719603 0.990701 0.768581 H\n0.231419 0.219603 0.509299 H\n0.268581 0.780397 0.009299 H\n0.731419 0.280397 0.490701 H\n0.768581 0.719603 0.990701 H\n0.509299 0.231419 0.219603 H\n0.009299 0.268581 0.780397 H\n0.490701 0.731419 0.280397 H\n0.990701 0.768581 0.719603 H\n0.780397 0.490701 0.768581 H\n0.219603 0.990701 0.731419 H\n0.719603 0.509299 0.268581 H\n0.280397 0.009299 0.231419 H\n0.768581 0.780397 0.490701 H\n0.731419 0.219603 0.990701 H\n0.268581 0.719603 0.509299 H\n0.231419 0.280397 0.009299 H\n0.490701 0.768581 0.780397 H\n0.990701 0.731419 0.219603 H\n0.509299 0.268581 0.719603 H\n0.009299 0.231419 0.280397 H\n0.181316 0.627096 0.222992 H\n0.818684 0.127096 0.277008 H\n0.318684 0.372904 0.722992 H\n0.681316 0.872904 0.777008 H\n0.222992 0.181316 0.627096 H\n0.277008 0.818684 0.127096 H\n0.722992 0.318684 0.372904 H\n0.777008 0.681316 0.872904 H\n0.627096 0.222992 0.181316 H\n0.127096 0.277008 0.818684 H\n0.372904 0.722992 0.318684 H\n0.872904 0.777008 0.681316 H\n0.818684 0.372904 0.777008 H\n0.181316 0.872904 0.722992 H\n0.681316 0.627096 0.277008 H\n0.318684 0.127096 0.222992 H\n0.777008 0.818684 0.372904 H\n0.722992 0.181316 0.872904 H\n0.277008 0.681316 0.627096 H\n0.222992 0.318684 0.127096 H\n0.372904 0.777008 0.818684 H\n0.872904 0.722992 0.181316 H\n0.627096 0.277008 0.681316 H\n0.127096 0.222992 0.318684 H\n0.477043 0.708974 0.937364 H\n0.522957 0.208974 0.562636 H\n0.022957 0.291026 0.437364 H\n0.977043 0.791026 0.062636 H\n0.937364 0.477043 0.708974 H\n0.562636 0.522957 0.208974 H\n0.437364 0.022957 0.291026 H\n0.062636 0.977043 0.791026 H\n0.708974 0.937364 0.477043 H\n0.208974 0.562636 0.522957 H\n0.291026 0.437364 0.022957 H\n0.791026 0.062636 0.977043 H\n0.522957 0.291026 0.062636 H\n0.477043 0.791026 0.437364 H\n0.977043 0.708974 0.562636 H\n0.022957 0.208974 0.937364 H\n0.062636 0.522957 0.291026 H\n0.437364 0.477043 0.791026 H\n0.562636 0.977043 0.708974 H\n0.937364 0.022957 0.208974 H\n0.291026 0.062636 0.522957 H\n0.791026 0.437364 0.477043 H\n0.708974 0.562636 0.977043 H\n0.208974 0.937364 0.022957 H\n0.525624 0.706254 0.060249 H\n0.474376 0.206254 0.439751 H\n0.974376 0.293746 0.560249 H\n0.025624 0.793746 0.939751 H\n0.060249 0.525624 0.706254 H\n0.439751 0.474376 0.206254 H\n0.560249 0.974376 0.293746 H\n0.939751 0.025624 0.793746 H\n0.706254 0.060249 0.525624 H\n0.206254 0.439751 0.474376 H\n0.293746 0.560249 0.974376 H\n0.793746 0.939751 0.025624 H\n0.474376 0.293746 0.939751 H\n0.525624 0.793746 0.560249 H\n0.025624 0.706254 0.439751 H\n0.974376 0.206254 0.060249 H\n0.939751 0.474376 0.293746 H\n0.560249 0.525624 0.793746 H\n0.439751 0.025624 0.706254 H\n0.060249 0.974376 0.206254 H\n0.293746 0.939751 0.474376 H\n0.793746 0.560249 0.525624 H\n0.706254 0.439751 0.025624 H\n0.206254 0.060249 0.974376 H\n0.172801 0.827199 0.327199 S\n0.827199 0.327199 0.172801 S\n0.327199 0.172801 0.827199 S\n0.672801 0.672801 0.672801 S\n0.827199 0.172801 0.672801 S\n0.172801 0.672801 0.827199 S\n0.672801 0.827199 0.172801 S\n0.327199 0.327199 0.327199 S\n0.241575 0.758425 0.258425 O\n0.758425 0.258425 0.241575 O\n0.258425 0.241575 0.758425 O\n0.741575 0.741575 0.741575 O\n0.758425 0.241575 0.741575 O\n0.241575 0.741575 0.758425 O\n0.741575 0.758425 0.241575 O\n0.258425 0.258425 0.258425 O\n0.064696 0.778921 0.336759 O\n0.935304 0.278921 0.163241 O\n0.435304 0.221079 0.836759 O\n0.564696 0.721079 0.663241 O\n0.336759 0.064696 0.778921 O\n0.163241 0.935304 0.278921 O\n0.836759 0.435304 0.221079 O\n0.663241 0.564696 0.721079 O\n0.778921 0.336759 0.064696 O\n0.278921 0.163241 0.935304 O\n0.221079 0.836759 0.435304 O\n0.721079 0.663241 0.564696 O\n0.935304 0.221079 0.663241 O\n0.064696 0.721079 0.836759 O\n0.564696 0.778921 0.163241 O\n0.435304 0.278921 0.336759 O\n0.663241 0.935304 0.221079 O\n0.836759 0.064696 0.721079 O\n0.163241 0.564696 0.778921 O\n0.336759 0.435304 0.278921 O\n0.221079 0.663241 0.935304 O\n0.721079 0.836759 0.064696 O\n0.778921 0.163241 0.564696 O\n0.278921 0.336759 0.435304 O\n0.157218 0.552956 0.212561 O\n0.842782 0.052956 0.287439 O\n0.342782 0.447044 0.712561 O\n0.657218 0.947044 0.787439 O\n0.212561 0.157218 0.552956 O\n0.287439 0.842782 0.052956 O\n0.712561 0.342782 0.447044 O\n0.787439 0.657218 0.947044 O\n0.552956 0.212561 0.157218 O\n0.052956 0.287439 0.842782 O\n0.447044 0.712561 0.342782 O\n0.947044 0.787439 0.657218 O\n0.842782 0.447044 0.787439 O\n0.157218 0.947044 0.712561 O\n0.657218 0.552956 0.287439 O\n0.342782 0.052956 0.212561 O\n0.787439 0.842782 0.447044 O\n0.712561 0.157218 0.947044 O\n0.287439 0.657218 0.552956 O\n0.212561 0.342782 0.052956 O\n0.447044 0.787439 0.842782 O\n0.947044 0.712561 0.157218 O\n0.552956 0.287439 0.657218 O\n0.052956 0.212561 0.342782 O\n0.500111 0.662217 0.999227 O\n0.499889 0.162217 0.500773 O\n0.999889 0.337783 0.499227 O\n0.000111 0.837783 0.000773 O\n0.999227 0.500111 0.662217 O\n0.500773 0.499889 0.162217 O\n0.499227 0.999889 0.337783 O\n0.000773 0.000111 0.837783 O\n0.662217 0.999227 0.500111 O\n0.162217 0.500773 0.499889 O\n0.337783 0.499227 0.999889 O\n0.837783 0.000773 0.000111 O\n0.499889 0.337783 0.000773 O\n0.500111 0.837783 0.499227 O\n0.000111 0.662217 0.500773 O\n0.999889 0.162217 0.999227 O\n0.000773 0.499889 0.337783 O\n0.499227 0.500111 0.837783 O\n0.500773 0.000111 0.662217 O\n0.999227 0.999889 0.162217 O\n0.337783 0.000773 0.499889 O\n0.837783 0.499227 0.500111 O\n0.662217 0.500773 0.000111 O\n0.162217 0.999227 0.999889 O\n","nsites":192,"nelements":5,"elements":["Cs","Ti","H","S","O"],"chemical_system":"Cs-H-O-S-Ti","density":1.9613398191207163,"density_atomic":0.09624317933391273,"volume":1994.9465648247337,"volume_molar":6.257213032319277,"formula_full":"Cs4 Ti4 H96 S8 O80","formula_reduced":"CsTiH24(SO10)2","formula_anonymous":"ABC2D20E24","energy":-1082.89728645,"energy_per_atom":-5.64009003359375,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-1027.93728645,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":true,"total_magnetization":3.8853778,"is_theoretical":false,"updated_at":"2021-11-28T01:34:40.241000Z","spacegroup":205},{"id":"mp-1199807","created_at":"2022-09-04T14:44:18.451141Z","structure_string":"Na16 Pr8 N40 O128\n1.0\n0.000000 8.031262 0.000000\n0.022722 0.000000 15.260426\n21.427523 0.000000 -0.237874\nNa Pr N O\n16 8 40 128\ndirect\n0.331851 0.658818 0.126973 Na\n0.331851 0.841182 0.873027 Na\n0.668149 0.341182 0.873027 Na\n0.668149 0.158818 0.126973 Na\n0.235208 0.968692 0.119237 Na\n0.235208 0.531308 0.880763 Na\n0.764792 0.031308 0.880763 Na\n0.764792 0.468692 0.119237 Na\n0.185817 0.538390 0.370932 Na\n0.185817 0.961610 0.629068 Na\n0.814183 0.461610 0.629068 Na\n0.814183 0.038390 0.370932 Na\n0.329794 0.880513 0.391615 Na\n0.329794 0.619487 0.608385 Na\n0.670206 0.119487 0.608385 Na\n0.670206 0.380513 0.391615 Na\n0.825196 0.750000 0.000000 Pr\n0.174804 0.250000 0.000000 Pr\n0.852911 0.750000 0.500000 Pr\n0.147089 0.250000 0.500000 Pr\n0.831196 0.754732 0.248509 Pr\n0.831196 0.745268 0.751491 Pr\n0.168804 0.245268 0.751491 Pr\n0.168804 0.254732 0.248509 Pr\n0.508861 0.814570 0.181596 N\n0.508861 0.685430 0.818404 N\n0.491139 0.185430 0.818404 N\n0.491139 0.314570 0.181596 N\n0.159138 0.708879 0.422309 N\n0.159138 0.791121 0.577691 N\n0.840862 0.291121 0.577691 N\n0.840862 0.208879 0.422309 N\n0.519764 0.871032 0.004046 N\n0.519764 0.628968 0.995954 N\n0.480236 0.128968 0.995954 N\n0.480236 0.371032 0.004046 N\n0.018680 0.607810 0.070528 N\n0.018680 0.892190 0.929472 N\n0.981320 0.392190 0.929472 N\n0.981320 0.107810 0.070528 N\n0.706831 0.566306 0.246301 N\n0.706831 0.933694 0.753699 N\n0.293169 0.433694 0.753699 N\n0.293169 0.066306 0.246301 N\n0.146524 0.642200 0.249233 N\n0.146524 0.857800 0.750767 N\n0.853476 0.357800 0.750767 N\n0.853476 0.142200 0.249233 N\n0.020950 0.600323 0.679552 N\n0.020950 0.899677 0.320448 N\n0.979050 0.399677 0.320448 N\n0.979050 0.100323 0.679552 N\n0.648722 0.782444 0.378486 N\n0.648722 0.717556 0.621514 N\n0.351278 0.217556 0.621514 N\n0.351278 0.282444 0.378486 N\n0.743444 0.945620 0.503979 N\n0.743444 0.554380 0.496021 N\n0.256556 0.054380 0.496021 N\n0.256556 0.445620 0.503979 N\n0.953938 0.837863 0.124546 N\n0.953938 0.662137 0.875454 N\n0.046062 0.162137 0.875454 N\n0.046062 0.337863 0.124546 N\n0.609812 0.872992 0.200969 O\n0.609812 0.627008 0.799031 O\n0.390188 0.127008 0.799031 O\n0.390188 0.372992 0.200969 O\n0.547035 0.734223 0.193740 O\n0.547035 0.765777 0.806260 O\n0.452965 0.265777 0.806260 O\n0.452965 0.234223 0.193740 O\n0.379940 0.830771 0.151908 O\n0.379940 0.669229 0.848092 O\n0.620060 0.169229 0.848092 O\n0.620060 0.330771 0.151908 O\n0.051780 0.650232 0.436054 O\n0.051780 0.849768 0.563946 O\n0.948220 0.349768 0.563946 O\n0.948220 0.150232 0.436054 O\n0.287658 0.690842 0.393026 O\n0.287658 0.809158 0.606974 O\n0.712342 0.309158 0.606974 O\n0.712342 0.190842 0.393026 O\n0.126308 0.787768 0.440210 O\n0.126308 0.712232 0.559790 O\n0.873692 0.212232 0.559790 O\n0.873692 0.287768 0.440210 O\n0.547344 0.821330 0.955788 O\n0.547344 0.678670 0.044212 O\n0.452656 0.178670 0.044212 O\n0.452656 0.321330 0.955788 O\n0.631236 0.870179 0.046621 O\n0.631236 0.629821 0.953379 O\n0.368764 0.129821 0.953379 O\n0.368764 0.370179 0.046621 O\n0.392235 0.916064 0.008058 O\n0.392235 0.583936 0.991942 O\n0.607765 0.083936 0.991942 O\n0.607765 0.416064 0.008058 O\n0.866901 0.596895 0.053421 O\n0.866901 0.903105 0.946579 O\n0.133099 0.403105 0.946579 O\n0.133099 0.096895 0.053421 O\n0.093058 0.552155 0.101825 O\n0.093058 0.947845 0.898175 O\n0.906942 0.447845 0.898175 O\n0.906942 0.052155 0.101825 O\n0.089196 0.679695 0.054687 O\n0.089196 0.820305 0.945313 O\n0.910804 0.320305 0.945313 O\n0.910804 0.179695 0.054687 O\n0.789663 0.598348 0.199985 O\n0.789663 0.901652 0.800015 O\n0.210337 0.401652 0.800015 O\n0.210337 0.098348 0.199985 O\n0.676336 0.618372 0.291850 O\n0.676336 0.881628 0.708150 O\n0.323664 0.381628 0.708150 O\n0.323664 0.118372 0.291850 O\n0.339107 0.989016 0.245527 O\n0.339107 0.510984 0.754473 O\n0.660893 0.010984 0.754473 O\n0.660893 0.489016 0.245527 O\n0.041439 0.640334 0.294402 O\n0.041439 0.859666 0.705598 O\n0.958561 0.359666 0.705598 O\n0.958561 0.140334 0.294402 O\n0.273003 0.596002 0.248800 O\n0.273003 0.903998 0.751200 O\n0.726997 0.403998 0.751200 O\n0.726997 0.096002 0.248800 O\n0.112532 0.694580 0.204306 O\n0.112532 0.805420 0.795694 O\n0.887468 0.305420 0.795694 O\n0.887468 0.194580 0.204306 O\n0.868659 0.591429 0.696767 O\n0.868659 0.908571 0.303233 O\n0.131341 0.408571 0.303233 O\n0.131341 0.091429 0.696767 O\n0.089235 0.542716 0.646499 O\n0.089235 0.957284 0.353501 O\n0.910765 0.457284 0.353501 O\n0.910765 0.042716 0.646499 O\n0.097335 0.669465 0.696384 O\n0.097335 0.830535 0.303616 O\n0.902665 0.330535 0.303616 O\n0.902665 0.169465 0.696384 O\n0.798527 0.753334 0.375576 O\n0.798527 0.746666 0.624424 O\n0.201473 0.246666 0.624424 O\n0.201473 0.253334 0.375576 O\n0.583433 0.794104 0.431590 O\n0.583433 0.705896 0.568410 O\n0.416567 0.205896 0.568410 O\n0.416567 0.294104 0.431590 O\n0.572979 0.800109 0.328973 O\n0.572979 0.699891 0.671027 O\n0.427021 0.199891 0.671027 O\n0.427021 0.300109 0.328973 O\n0.694663 0.891514 0.545009 O\n0.694663 0.608486 0.454991 O\n0.305337 0.108486 0.454991 O\n0.305337 0.391514 0.545009 O\n0.836927 0.914944 0.459932 O\n0.836927 0.585056 0.540068 O\n0.163073 0.085056 0.540068 O\n0.163073 0.414944 0.459932 O\n0.296785 0.524265 0.505252 O\n0.296785 0.975735 0.494748 O\n0.703215 0.475735 0.494748 O\n0.703215 0.024265 0.505252 O\n0.009291 0.862904 0.072919 O\n0.009291 0.637096 0.927081 O\n0.990709 0.137096 0.927081 O\n0.990709 0.362904 0.072919 O\n0.997661 0.872059 0.175430 O\n0.997661 0.627941 0.824570 O\n0.002339 0.127941 0.824570 O\n0.002339 0.372059 0.175430 O\n0.849487 0.773497 0.125344 O\n0.849487 0.726503 0.874656 O\n0.150513 0.226503 0.874656 O\n0.150513 0.273497 0.125344 O\n0.507452 0.005419 0.369809 O\n0.507452 0.494581 0.630191 O\n0.492548 0.994581 0.630191 O\n0.492548 0.505419 0.369809 O\n0.525372 0.014107 0.128489 O\n0.525372 0.485893 0.871511 O\n0.474628 0.985893 0.871511 O\n0.474628 0.514107 0.128489 O\n","nsites":192,"nelements":4,"elements":["Na","Pr","N","O"],"chemical_system":"N-Na-O-Pr","density":2.594487441929059,"density_atomic":0.07310913222615972,"volume":2626.2109007949493,"volume_molar":8.237193598975825,"formula_full":"Na16 Pr8 N40 O128","formula_reduced":"Na2PrN5O16","formula_anonymous":"AB2C5D16","energy":-1271.88661061,"energy_per_atom":-6.624409430260417,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-1183.95061061,"band_gap":0.4663,"is_gap_direct":true,"is_magnetic":true,"total_magnetization":16.0301437,"is_theoretical":false,"updated_at":"2021-11-28T01:36:31.337000Z","spacegroup":13},{"id":"mp-683981","created_at":"2022-09-04T14:43:56.947682Z","structure_string":"Rb32 U36 O124\n1.0\n7.070376 0.000000 0.000000\n0.000000 14.567599 0.000000\n0.000000 0.000000 34.414381\nRb U O\n32 36 124\ndirect\n0.239736 0.485769 0.472892 Rb\n0.760264 0.985769 0.472892 Rb\n0.247188 0.947704 0.412437 Rb\n0.283254 0.394671 0.352748 Rb\n0.747188 0.947704 0.087563 Rb\n0.747188 0.552296 0.912437 Rb\n0.803844 0.126556 0.719969 Rb\n0.252812 0.052296 0.912437 Rb\n0.303844 0.373444 0.219969 Rb\n0.739736 0.485769 0.027108 Rb\n0.216746 0.894671 0.147252 Rb\n0.260264 0.985769 0.027108 Rb\n0.216746 0.605329 0.852748 Rb\n0.783254 0.105329 0.852748 Rb\n0.196156 0.873444 0.280031 Rb\n0.252812 0.447704 0.087563 Rb\n0.783254 0.394671 0.147252 Rb\n0.696156 0.626556 0.780031 Rb\n0.239736 0.014231 0.527108 Rb\n0.196156 0.626556 0.719969 Rb\n0.752812 0.447704 0.412437 Rb\n0.752812 0.052296 0.587563 Rb\n0.303844 0.126556 0.780031 Rb\n0.716746 0.894671 0.352748 Rb\n0.283254 0.105329 0.647252 Rb\n0.803844 0.373444 0.280031 Rb\n0.260264 0.514231 0.972892 Rb\n0.247188 0.552296 0.587563 Rb\n0.739736 0.014231 0.972892 Rb\n0.716746 0.605329 0.647252 Rb\n0.696156 0.873444 0.219969 Rb\n0.760264 0.514231 0.527108 Rb\n0.063367 0.132418 0.330720 U\n0.949814 0.750000 0.000000 U\n0.063367 0.367582 0.669280 U\n0.015689 0.383565 0.784604 U\n0.515689 0.116435 0.284604 U\n0.585620 0.212279 0.056639 U\n0.550186 0.250000 0.500000 U\n0.881256 0.827576 0.890042 U\n0.563367 0.367582 0.830720 U\n0.118744 0.172424 0.109958 U\n0.381256 0.827576 0.609958 U\n0.984311 0.883565 0.784604 U\n0.618744 0.327576 0.609958 U\n0.118744 0.327576 0.890042 U\n0.936633 0.632418 0.330720 U\n0.936633 0.867582 0.669280 U\n0.449814 0.750000 0.500000 U\n0.984311 0.616435 0.215396 U\n0.881256 0.672424 0.109958 U\n0.484311 0.883565 0.715396 U\n0.050186 0.250000 0.000000 U\n0.085620 0.287721 0.556639 U\n0.914380 0.787721 0.556639 U\n0.085620 0.212279 0.443361 U\n0.618744 0.172424 0.390042 U\n0.381256 0.672424 0.390042 U\n0.484311 0.616435 0.284604 U\n0.436633 0.867582 0.830720 U\n0.436633 0.632418 0.169280 U\n0.914380 0.712279 0.443361 U\n0.515689 0.383565 0.715396 U\n0.563367 0.132418 0.169280 U\n0.414380 0.712279 0.056639 U\n0.585620 0.287721 0.943361 U\n0.015689 0.116435 0.215396 U\n0.414380 0.787721 0.943361 U\n0.434305 0.742702 0.818557 O\n0.750925 0.630522 0.174681 O\n0.698065 0.398406 0.770908 O\n0.438720 0.994422 0.840685 O\n0.972903 0.488006 0.211142 O\n0.085626 0.164352 0.573383 O\n0.625174 0.637999 0.344364 O\n0.447899 0.872896 0.484948 O\n0.801935 0.898406 0.729092 O\n0.698065 0.101594 0.229092 O\n0.065695 0.257298 0.318557 O\n0.544401 0.835176 0.888754 O\n0.100634 0.705216 0.066407 O\n0.250925 0.869478 0.674681 O\n0.027097 0.511994 0.788858 O\n0.249075 0.369478 0.825319 O\n0.585626 0.164352 0.926617 O\n0.250925 0.630522 0.325319 O\n0.910987 0.587997 0.458865 O\n0.112130 0.048529 0.096688 O\n0.749075 0.130522 0.325319 O\n0.874826 0.362001 0.844364 O\n0.589013 0.412003 0.958865 O\n0.210177 0.250000 0.500000 O\n0.374200 0.793389 0.373268 O\n0.374200 0.706611 0.626732 O\n0.198065 0.398406 0.729092 O\n0.198065 0.101594 0.270908 O\n0.414374 0.835648 0.073383 O\n0.600634 0.794784 0.566407 O\n0.125174 0.862001 0.844364 O\n0.414374 0.664352 0.926617 O\n0.112130 0.451471 0.903312 O\n0.229415 0.782628 0.545224 O\n0.710177 0.250000 0.000000 O\n0.887870 0.951471 0.903312 O\n0.625800 0.206611 0.626732 O\n0.052101 0.372896 0.015052 O\n0.938720 0.505578 0.340685 O\n0.065695 0.242702 0.681443 O\n0.472903 0.488006 0.288858 O\n0.289823 0.750000 0.000000 O\n0.374826 0.362001 0.655636 O\n0.565695 0.257298 0.181443 O\n0.100634 0.794784 0.933593 O\n0.387870 0.548529 0.403312 O\n0.085626 0.335648 0.426617 O\n0.410987 0.587997 0.041135 O\n0.044401 0.835176 0.611246 O\n0.770585 0.217372 0.454776 O\n0.729415 0.782628 0.954776 O\n0.874200 0.706611 0.873268 O\n0.061280 0.005578 0.340685 O\n0.589013 0.087997 0.041135 O\n0.387870 0.951471 0.596688 O\n0.612130 0.048529 0.403312 O\n0.438720 0.505578 0.159315 O\n0.997878 0.741540 0.224877 O\n0.729415 0.717372 0.045224 O\n0.544401 0.664824 0.111246 O\n0.887870 0.548529 0.096688 O\n0.472903 0.011994 0.711142 O\n0.527097 0.988006 0.288858 O\n0.270585 0.217372 0.045224 O\n0.625174 0.862001 0.655636 O\n0.089013 0.087997 0.458865 O\n0.899366 0.294784 0.933593 O\n0.625800 0.293389 0.373268 O\n0.399366 0.205216 0.433593 O\n0.229415 0.717372 0.454776 O\n0.585626 0.335648 0.073383 O\n0.552101 0.127104 0.515052 O\n0.612130 0.451471 0.596688 O\n0.301935 0.898406 0.770908 O\n0.565695 0.242702 0.818557 O\n0.750925 0.869478 0.825319 O\n0.249075 0.130522 0.174681 O\n0.874200 0.793389 0.126732 O\n0.947899 0.627104 0.984948 O\n0.934305 0.757298 0.318557 O\n0.874826 0.137999 0.155636 O\n0.749075 0.369478 0.674681 O\n0.301935 0.601594 0.229092 O\n0.089013 0.412003 0.541135 O\n0.125174 0.637999 0.155636 O\n0.270585 0.282628 0.954776 O\n0.455599 0.335176 0.888754 O\n0.044401 0.664824 0.388754 O\n0.061280 0.494422 0.659315 O\n0.497878 0.758460 0.724877 O\n0.910987 0.912003 0.541135 O\n0.955599 0.164824 0.388754 O\n0.561280 0.005578 0.159315 O\n0.434305 0.757298 0.181443 O\n0.997878 0.758460 0.775123 O\n0.052101 0.127104 0.984948 O\n0.789823 0.750000 0.500000 O\n0.914374 0.835648 0.426617 O\n0.934305 0.742702 0.681443 O\n0.374826 0.137999 0.344364 O\n0.801935 0.601594 0.270908 O\n0.125800 0.206611 0.873268 O\n0.002122 0.258460 0.775123 O\n0.027097 0.988006 0.211142 O\n0.552101 0.372896 0.484948 O\n0.502122 0.241540 0.275123 O\n0.947899 0.872896 0.015052 O\n0.770585 0.282628 0.545224 O\n0.399366 0.294784 0.566407 O\n0.972903 0.011994 0.788858 O\n0.561280 0.494422 0.840685 O\n0.527097 0.511994 0.711142 O\n0.502122 0.258460 0.724877 O\n0.447899 0.627104 0.515052 O\n0.002122 0.241540 0.224877 O\n0.938720 0.994422 0.659315 O\n0.497878 0.741540 0.275123 O\n0.955599 0.335176 0.611246 O\n0.600634 0.705216 0.433593 O\n0.410987 0.912003 0.958865 O\n0.914374 0.664352 0.573383 O\n0.899366 0.205216 0.066407 O\n0.455599 0.164824 0.111246 O\n0.125800 0.293389 0.126732 O\n","nsites":192,"nelements":3,"elements":["Rb","U","O"],"chemical_system":"O-Rb-U","density":6.224954382433,"density_atomic":0.05416650046438586,"volume":3544.626260768661,"volume_molar":11.117832439552782,"formula_full":"Rb32 U36 O124","formula_reduced":"Rb8U9O31","formula_anonymous":"A8B9C31","energy":-1688.90665174,"energy_per_atom":-8.796388811145833,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-1603.71865174,"band_gap":1.601,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":0.005479,"is_theoretical":false,"updated_at":"2021-11-28T01:36:20.773000Z","spacegroup":60},{"id":"mp-667356","created_at":"2022-09-04T14:41:12.853113Z","structure_string":"P16 Ru16 C64 O48 F48\n1.0\n10.620326 0.000000 0.000000\n0.000000 10.493114 0.000000\n0.000000 0.002538 28.980089\nP Ru C O F\n16 16 64 48 48\ndirect\n0.099786 0.288911 0.347445 P\n0.599786 0.711089 0.152555 P\n0.216695 0.371460 0.916288 P\n0.400214 0.288911 0.847445 P\n0.783305 0.628540 0.083712 P\n0.233031 0.098610 0.402974 P\n0.900214 0.711089 0.652555 P\n0.131542 0.241330 0.832177 P\n0.868458 0.758670 0.167823 P\n0.283305 0.371460 0.416288 P\n0.266969 0.098610 0.902974 P\n0.716695 0.628540 0.583712 P\n0.368458 0.241330 0.332177 P\n0.631542 0.758670 0.667823 P\n0.733031 0.901390 0.097026 P\n0.766969 0.901390 0.597026 P\n0.236547 0.448886 0.836806 Ru\n0.084308 0.260279 0.430874 Ru\n0.440107 0.199090 0.410740 Ru\n0.559893 0.800910 0.589260 Ru\n0.763453 0.551114 0.163194 Ru\n0.940107 0.800910 0.089260 Ru\n0.805720 0.907722 0.680220 Ru\n0.415692 0.260279 0.930874 Ru\n0.305720 0.092278 0.819780 Ru\n0.736547 0.551114 0.663194 Ru\n0.915692 0.739721 0.569126 Ru\n0.694280 0.907722 0.180220 Ru\n0.059893 0.199090 0.910740 Ru\n0.584308 0.739721 0.069126 Ru\n0.194280 0.092278 0.319780 Ru\n0.263453 0.448886 0.336806 Ru\n0.620727 0.772731 0.004262 C\n0.917916 0.451069 0.161047 C\n0.261449 0.458920 0.770508 C\n0.466529 0.953124 0.606728 C\n0.317478 0.501209 0.459988 C\n0.049269 0.172294 0.977169 C\n0.082084 0.548931 0.838953 C\n0.653102 0.409219 0.149520 C\n0.064284 0.846971 0.572391 C\n0.682522 0.498791 0.540012 C\n0.054496 0.670064 0.681131 C\n0.324663 0.134066 0.754611 C\n0.509500 0.416876 0.940494 C\n0.296924 0.943632 0.308775 C\n0.796924 0.056368 0.191225 C\n0.417916 0.548931 0.338953 C\n0.778868 0.062351 0.567866 C\n0.585209 0.311715 0.407464 C\n0.846898 0.409219 0.649520 C\n0.966529 0.046876 0.893272 C\n0.703076 0.056368 0.691225 C\n0.238551 0.458920 0.270508 C\n0.490500 0.583124 0.059506 C\n0.761449 0.541080 0.729492 C\n0.554496 0.329936 0.818869 C\n0.001478 0.234778 0.787792 C\n0.564284 0.153029 0.927609 C\n0.879273 0.772731 0.504262 C\n0.582084 0.451069 0.661047 C\n0.914791 0.311715 0.907464 C\n0.182522 0.501209 0.959988 C\n0.153102 0.590781 0.350480 C\n0.120727 0.227269 0.495738 C\n0.990500 0.416876 0.440494 C\n0.278868 0.937649 0.932134 C\n0.435716 0.846971 0.072391 C\n0.945504 0.329936 0.318869 C\n0.962854 0.002251 0.675015 C\n0.738551 0.541080 0.229492 C\n0.501478 0.765222 0.712208 C\n0.824663 0.865934 0.745389 C\n0.498522 0.234778 0.287792 C\n0.935716 0.153029 0.427609 C\n0.033471 0.953124 0.106728 C\n0.675337 0.865934 0.245389 C\n0.203076 0.943632 0.808775 C\n0.085209 0.688285 0.092536 C\n0.950731 0.827706 0.022831 C\n0.537146 0.002251 0.175015 C\n0.462854 0.997749 0.824985 C\n0.817478 0.498791 0.040012 C\n0.037146 0.997749 0.324985 C\n0.009500 0.583124 0.559506 C\n0.450731 0.172294 0.477169 C\n0.221132 0.937649 0.432134 C\n0.379273 0.227269 0.995738 C\n0.414791 0.688285 0.592536 C\n0.533471 0.046876 0.393272 C\n0.175337 0.134066 0.254611 C\n0.998522 0.765222 0.212208 C\n0.346898 0.590781 0.850480 C\n0.549269 0.827706 0.522831 C\n0.721132 0.062351 0.067866 C\n0.445504 0.670064 0.181131 C\n0.587123 0.956228 0.382215 O\n0.943079 0.943533 0.328767 O\n0.912877 0.956228 0.882215 O\n0.164759 0.160768 0.216169 O\n0.085705 0.674986 0.357471 O\n0.829422 0.379936 0.906550 O\n0.353778 0.207195 0.033771 O\n0.653338 0.090275 0.924583 O\n0.721749 0.541766 0.268845 O\n0.355521 0.852877 0.301600 O\n0.144479 0.852877 0.801600 O\n0.646222 0.792805 0.966229 O\n0.644479 0.147123 0.698400 O\n0.278251 0.458234 0.731155 O\n0.414295 0.674986 0.857471 O\n0.556921 0.943533 0.828767 O\n0.490308 0.392777 0.658699 O\n0.044578 0.158012 0.016692 O\n0.170578 0.620064 0.093450 O\n0.146222 0.207195 0.533771 O\n0.955422 0.841988 0.983308 O\n0.846662 0.090275 0.424583 O\n0.346662 0.909725 0.075417 O\n0.009692 0.392777 0.158699 O\n0.664759 0.839232 0.283831 O\n0.329422 0.620064 0.593450 O\n0.853778 0.792805 0.466229 O\n0.412877 0.043772 0.617785 O\n0.056921 0.056467 0.671233 O\n0.544578 0.841988 0.483308 O\n0.855521 0.147123 0.198400 O\n0.564342 0.510939 0.945538 O\n0.153338 0.909725 0.575417 O\n0.443079 0.056467 0.171233 O\n0.455422 0.158012 0.516692 O\n0.670578 0.379936 0.406550 O\n0.064342 0.489061 0.554462 O\n0.990308 0.607223 0.841301 O\n0.335241 0.160768 0.716169 O\n0.935658 0.510939 0.445538 O\n0.509692 0.607223 0.341301 O\n0.435658 0.489061 0.054462 O\n0.835241 0.839232 0.783831 O\n0.087123 0.043772 0.117785 O\n0.585705 0.325014 0.142529 O\n0.914295 0.325014 0.642529 O\n0.221749 0.458234 0.231155 O\n0.778251 0.541766 0.768845 O\n0.723132 0.409405 0.038283 F\n0.330079 0.452931 0.503520 F\n0.169921 0.452931 0.003520 F\n0.141587 0.765364 0.675948 F\n0.905431 0.315401 0.799304 F\n0.358413 0.765364 0.175948 F\n0.459202 0.649756 0.227651 F\n0.094569 0.684599 0.200696 F\n0.450602 0.885007 0.716914 F\n0.101896 0.888745 0.429909 F\n0.042429 0.269847 0.744879 F\n0.699841 0.150697 0.587055 F\n0.959202 0.350244 0.272349 F\n0.800159 0.150697 0.087055 F\n0.457571 0.269847 0.244879 F\n0.199841 0.849303 0.912945 F\n0.398104 0.888745 0.929909 F\n0.950602 0.114993 0.783086 F\n0.394671 0.562017 0.162806 F\n0.858413 0.234636 0.324052 F\n0.574181 0.434485 0.550149 F\n0.549398 0.114993 0.283086 F\n0.300159 0.849303 0.412945 F\n0.542429 0.730153 0.755121 F\n0.641587 0.234636 0.824052 F\n0.252013 0.945997 0.477986 F\n0.669921 0.547069 0.496480 F\n0.894671 0.437983 0.337194 F\n0.776868 0.409405 0.538283 F\n0.957571 0.730153 0.255121 F\n0.049398 0.885007 0.216914 F\n0.040798 0.649756 0.727651 F\n0.247987 0.945997 0.977986 F\n0.223132 0.590595 0.461717 F\n0.747987 0.054003 0.522014 F\n0.601896 0.111255 0.070091 F\n0.898104 0.111255 0.570091 F\n0.405431 0.684599 0.700696 F\n0.752013 0.054003 0.022014 F\n0.074181 0.565515 0.949851 F\n0.605329 0.437983 0.837194 F\n0.276868 0.590595 0.961717 F\n0.105329 0.562017 0.662806 F\n0.594569 0.315401 0.299304 F\n0.425819 0.565515 0.449851 F\n0.925819 0.434485 0.050149 F\n0.540798 0.350244 0.772349 F\n0.830079 0.547069 0.996480 F\n","nsites":192,"nelements":5,"elements":["P","Ru","C","O","F"],"chemical_system":"C-F-O-P-Ru","density":2.3452753175353522,"density_atomic":0.05945101513276169,"volume":3229.5495639769906,"volume_molar":10.129584409201073,"formula_full":"P16 Ru16 C64 O48 F48","formula_reduced":"PRuC4(OF)3","formula_anonymous":"ABC3D3E4","energy":-1394.14533373,"energy_per_atom":-7.261173613177083,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-1338.99333373,"band_gap":2.7145,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":0.0005884,"is_theoretical":false,"updated_at":"2021-11-28T01:35:15.215000Z","spacegroup":14},{"id":"mp-707055","created_at":"2022-09-04T14:40:59.942291Z","structure_string":"Na16 Ge8 H96 S16 O56\n1.0\n10.807876 0.000000 0.000000\n0.000000 13.933735 0.000000\n0.000000 0.000000 14.132379\nNa Ge H S O\n16 8 96 16 56\ndirect\n0.000000 0.500000 0.500000 Na\n0.500000 0.000000 0.000000 Na\n0.500000 0.000000 0.500000 Na\n0.000000 0.500000 0.000000 Na\n0.499158 0.513637 0.876590 Na\n0.000842 0.986363 0.376590 Na\n0.999158 0.986363 0.123410 Na\n0.500842 0.513637 0.623410 Na\n0.500842 0.486363 0.123410 Na\n0.999158 0.013637 0.623410 Na\n0.000842 0.013637 0.876590 Na\n0.499158 0.486363 0.376590 Na\n0.000000 0.448274 0.750000 Na\n0.500000 0.051726 0.250000 Na\n0.000000 0.551726 0.250000 Na\n0.500000 0.948274 0.750000 Na\n0.188375 0.647976 0.855849 Ge\n0.311625 0.852024 0.355849 Ge\n0.688375 0.852024 0.144151 Ge\n0.811625 0.647976 0.644151 Ge\n0.811625 0.352024 0.144151 Ge\n0.688375 0.147976 0.644151 Ge\n0.311625 0.147976 0.855849 Ge\n0.188375 0.352024 0.355849 Ge\n0.967241 0.631326 0.842406 H\n0.532759 0.868674 0.342406 H\n0.467241 0.868674 0.157594 H\n0.032759 0.631326 0.657594 H\n0.032759 0.368674 0.157594 H\n0.467241 0.131326 0.657594 H\n0.532759 0.131326 0.842406 H\n0.967241 0.368674 0.342406 H\n0.258571 0.491162 0.819251 H\n0.241429 0.008838 0.319251 H\n0.758571 0.008838 0.180749 H\n0.741429 0.491162 0.680749 H\n0.741429 0.508838 0.180749 H\n0.758571 0.991162 0.680749 H\n0.241429 0.991162 0.819251 H\n0.258571 0.508838 0.319251 H\n0.549465 0.819871 0.927695 H\n0.950535 0.680129 0.427695 H\n0.049465 0.680129 0.072305 H\n0.450535 0.819871 0.572305 H\n0.450535 0.180129 0.072305 H\n0.049465 0.319871 0.572305 H\n0.950535 0.319871 0.927695 H\n0.549465 0.180129 0.427695 H\n0.404564 0.819514 0.918137 H\n0.095436 0.680486 0.418137 H\n0.904564 0.680486 0.081863 H\n0.595436 0.819514 0.581863 H\n0.595436 0.180486 0.081863 H\n0.904564 0.319514 0.581863 H\n0.095436 0.319514 0.918137 H\n0.404564 0.180486 0.418137 H\n0.554506 0.664554 0.023741 H\n0.945494 0.835446 0.523741 H\n0.054506 0.835446 0.976259 H\n0.445494 0.664554 0.476259 H\n0.445494 0.335446 0.976259 H\n0.054506 0.164554 0.476259 H\n0.945494 0.164554 0.023741 H\n0.554506 0.335446 0.523741 H\n0.410096 0.653014 0.012044 H\n0.089904 0.846986 0.512044 H\n0.910096 0.846986 0.987956 H\n0.589904 0.653014 0.487956 H\n0.589904 0.346986 0.987956 H\n0.910096 0.153014 0.487956 H\n0.089904 0.153014 0.012044 H\n0.410096 0.346986 0.512044 H\n0.225176 0.453259 0.657019 H\n0.274824 0.046741 0.157019 H\n0.725176 0.046741 0.342981 H\n0.774824 0.453259 0.842981 H\n0.774824 0.546741 0.342981 H\n0.725176 0.953259 0.842981 H\n0.274824 0.953259 0.657019 H\n0.225176 0.546741 0.157019 H\n0.228734 0.356783 0.718916 H\n0.271266 0.143217 0.218916 H\n0.728734 0.143217 0.281084 H\n0.771266 0.356783 0.781084 H\n0.771266 0.643217 0.281084 H\n0.728734 0.856783 0.781084 H\n0.271266 0.856783 0.718916 H\n0.228734 0.643217 0.218916 H\n0.246305 0.408816 0.065761 H\n0.253695 0.091184 0.565761 H\n0.746305 0.091184 0.934239 H\n0.753695 0.408816 0.434239 H\n0.753695 0.591184 0.934239 H\n0.746305 0.908816 0.434239 H\n0.253695 0.908816 0.065761 H\n0.246305 0.591184 0.565761 H\n0.262154 0.491977 0.987834 H\n0.237846 0.008023 0.487834 H\n0.762154 0.008023 0.012166 H\n0.737846 0.491977 0.512166 H\n0.737846 0.508023 0.012166 H\n0.762154 0.991977 0.512166 H\n0.237846 0.991977 0.987834 H\n0.262154 0.508023 0.487834 H\n0.426500 0.670119 0.743170 H\n0.073500 0.829881 0.243170 H\n0.926500 0.829881 0.256830 H\n0.573500 0.670119 0.756830 H\n0.573500 0.329881 0.256830 H\n0.926500 0.170119 0.756830 H\n0.073500 0.170119 0.743170 H\n0.426500 0.329881 0.243170 H\n0.070306 0.847589 0.742564 H\n0.429694 0.652411 0.242564 H\n0.570306 0.652411 0.257436 H\n0.929694 0.847589 0.757436 H\n0.929694 0.152411 0.257436 H\n0.570306 0.347589 0.757436 H\n0.429694 0.347589 0.742564 H\n0.070306 0.152411 0.242564 H\n0.212267 0.707474 0.714135 S\n0.287733 0.792526 0.214135 S\n0.712267 0.792526 0.285865 S\n0.787733 0.707474 0.785865 S\n0.787733 0.292526 0.285865 S\n0.712267 0.207474 0.785865 S\n0.287733 0.207474 0.714135 S\n0.212267 0.292526 0.214135 S\n0.224302 0.736737 0.979699 S\n0.275698 0.763263 0.479699 S\n0.724302 0.763263 0.020301 S\n0.775698 0.736737 0.520301 S\n0.775698 0.263263 0.020301 S\n0.724302 0.236737 0.520301 S\n0.275698 0.236737 0.979699 S\n0.224302 0.263263 0.479699 S\n0.035648 0.588967 0.863135 O\n0.464352 0.911033 0.363135 O\n0.535648 0.911033 0.136865 O\n0.964352 0.588967 0.636865 O\n0.964352 0.411033 0.136865 O\n0.535648 0.088967 0.636865 O\n0.464352 0.088967 0.863135 O\n0.035648 0.411033 0.363135 O\n0.278857 0.535982 0.872545 O\n0.221143 0.964018 0.372545 O\n0.778857 0.964018 0.127455 O\n0.721143 0.535982 0.627455 O\n0.721143 0.464018 0.127455 O\n0.778857 0.035982 0.627455 O\n0.221143 0.035982 0.872545 O\n0.278857 0.464018 0.372545 O\n0.479214 0.856708 0.901293 O\n0.020786 0.643292 0.401293 O\n0.979214 0.643292 0.098707 O\n0.520786 0.856708 0.598707 O\n0.520786 0.143292 0.098707 O\n0.979214 0.356708 0.598707 O\n0.020786 0.356708 0.901293 O\n0.479214 0.143292 0.401293 O\n0.488356 0.616200 0.013910 O\n0.011644 0.883800 0.513910 O\n0.988356 0.883800 0.986090 O\n0.511644 0.616200 0.486090 O\n0.511644 0.383800 0.986090 O\n0.988356 0.116200 0.486090 O\n0.011644 0.116200 0.013910 O\n0.488356 0.383800 0.513910 O\n0.209297 0.426514 0.721243 O\n0.290703 0.073486 0.221243 O\n0.709297 0.073486 0.278757 O\n0.790703 0.426514 0.778757 O\n0.790703 0.573486 0.278757 O\n0.709297 0.926514 0.778757 O\n0.290703 0.926514 0.721243 O\n0.209297 0.573486 0.221243 O\n0.243654 0.478629 0.055859 O\n0.256346 0.021371 0.555859 O\n0.743654 0.021371 0.944141 O\n0.756346 0.478629 0.444141 O\n0.756346 0.521371 0.944141 O\n0.743654 0.978629 0.444141 O\n0.256346 0.978629 0.055859 O\n0.243654 0.521371 0.555859 O\n0.500000 0.628596 0.750000 O\n0.000000 0.871404 0.250000 O\n0.500000 0.371404 0.250000 O\n0.000000 0.128596 0.750000 O\n0.000000 0.892039 0.750000 O\n0.500000 0.607961 0.250000 O\n0.000000 0.107961 0.250000 O\n0.500000 0.392039 0.750000 O\n","nsites":192,"nelements":5,"elements":["Na","Ge","H","S","O"],"chemical_system":"Ge-H-Na-O-S","density":1.9152644971826174,"density_atomic":0.09021485449569872,"volume":2128.2526150851822,"volume_molar":6.675331677542222,"formula_full":"Na16 Ge8 H96 S16 O56","formula_reduced":"Na2GeH12S2O7","formula_anonymous":"AB2C2D7E12","energy":-979.02544849,"energy_per_atom":-5.099090877552084,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-932.5054484900002,"band_gap":3.0947,"is_gap_direct":true,"is_magnetic":false,"total_magnetization":0.0375159,"is_theoretical":false,"updated_at":"2021-11-28T01:34:59.254000Z","spacegroup":60},{"id":"mp-651806","created_at":"2022-09-04T14:41:33.776610Z","structure_string":"In8 Re16 C80 Cl8 O80\n1.0\n13.039371 0.000000 0.000000\n0.000000 10.735103 0.000000\n0.000000 3.163140 25.444352\nIn Re C Cl O\n8 16 80 8 80\ndirect\n0.279855 0.572123 0.111778 In\n0.779855 0.927877 0.388222 In\n0.220145 0.072123 0.611778 In\n0.293916 0.495361 0.266193 In\n0.720145 0.427877 0.888222 In\n0.706084 0.504639 0.733807 In\n0.206084 0.995361 0.766193 In\n0.793916 0.004639 0.233807 In\n0.666708 0.176742 0.931294 Re\n0.833292 0.676742 0.431294 Re\n0.234232 0.249989 0.314801 Re\n0.734232 0.250011 0.185199 Re\n0.789302 0.630643 0.940994 Re\n0.138067 0.190949 0.825545 Re\n0.861933 0.809051 0.174455 Re\n0.265768 0.749989 0.814801 Re\n0.710698 0.130643 0.440994 Re\n0.638067 0.309051 0.674455 Re\n0.289302 0.869357 0.559006 Re\n0.166708 0.323258 0.568706 Re\n0.361933 0.690949 0.325545 Re\n0.210698 0.369357 0.059006 Re\n0.765768 0.750011 0.685199 Re\n0.333292 0.823258 0.068706 Re\n0.153220 0.215699 0.251963 C\n0.026238 0.270409 0.594338 C\n0.645499 0.821266 0.720204 C\n0.685980 0.652116 0.452011 C\n0.314020 0.347884 0.547989 C\n0.659354 0.266579 0.478345 C\n0.341008 0.388875 0.017431 C\n0.239113 0.790700 0.297733 C\n0.973762 0.729591 0.405662 C\n0.473762 0.770409 0.094338 C\n0.198919 0.091884 0.356980 C\n0.479155 0.573924 0.345629 C\n0.854501 0.321266 0.220204 C\n0.592297 0.185606 0.629488 C\n0.180142 0.801964 0.872938 C\n0.215440 0.757170 0.615385 C\n0.297634 0.872506 0.139401 C\n0.702366 0.127494 0.860599 C\n0.123863 0.491569 0.539436 C\n0.352738 0.006869 0.509862 C\n0.739113 0.709300 0.202267 C\n0.354501 0.178734 0.279796 C\n0.202366 0.372506 0.639401 C\n0.260887 0.290700 0.797733 C\n0.840646 0.766579 0.978345 C\n0.346780 0.715699 0.751963 C\n0.658992 0.611125 0.982569 C\n0.841008 0.111125 0.482569 C\n0.801081 0.908116 0.643020 C\n0.680142 0.698036 0.627062 C\n0.526238 0.229591 0.905662 C\n0.411294 0.869560 0.606152 C\n0.814020 0.152116 0.952011 C\n0.520845 0.426076 0.654371 C\n0.437508 0.760576 0.260102 C\n0.715440 0.742830 0.884615 C\n0.062492 0.260576 0.760102 C\n0.319858 0.301964 0.372938 C\n0.724172 0.398279 0.617142 C\n0.145499 0.678734 0.779796 C\n0.142160 0.252019 0.501204 C\n0.088706 0.369560 0.106152 C\n0.357840 0.752019 0.001204 C\n0.647262 0.993131 0.490138 C\n0.907703 0.685606 0.129488 C\n0.301081 0.591884 0.856980 C\n0.159354 0.233421 0.021655 C\n0.846780 0.784301 0.748037 C\n0.852738 0.493131 0.990138 C\n0.876137 0.508431 0.460564 C\n0.407703 0.814394 0.370512 C\n0.760887 0.209300 0.702267 C\n0.698919 0.408116 0.143020 C\n0.115582 0.347059 0.339380 C\n0.185980 0.847884 0.047989 C\n0.653220 0.284301 0.248037 C\n0.562492 0.239424 0.739898 C\n0.784560 0.242830 0.384615 C\n0.092297 0.314394 0.870512 C\n0.857840 0.747981 0.498796 C\n0.275828 0.601721 0.382858 C\n0.284560 0.257170 0.115385 C\n0.020845 0.073924 0.845629 C\n0.376137 0.991569 0.039436 C\n0.642160 0.247981 0.998796 C\n0.588706 0.130440 0.393848 C\n0.979155 0.926076 0.154371 C\n0.158992 0.888875 0.517431 C\n0.819858 0.198036 0.127062 C\n0.623863 0.008431 0.960564 C\n0.937508 0.739424 0.239898 C\n0.147262 0.506869 0.009862 C\n0.615582 0.152941 0.160620 C\n0.224172 0.101721 0.882858 C\n0.340646 0.733421 0.521655 C\n0.775828 0.898279 0.117142 C\n0.384418 0.847059 0.839380 C\n0.884418 0.652941 0.660620 C\n0.797634 0.627494 0.360599 C\n0.911294 0.630440 0.893848 C\n0.085234 0.984934 0.684519 Cl\n0.338670 0.087637 0.694173 Cl\n0.661330 0.912363 0.305827 Cl\n0.838670 0.412363 0.805827 Cl\n0.914766 0.015066 0.315481 Cl\n0.414766 0.484934 0.184519 Cl\n0.161330 0.587637 0.194173 Cl\n0.585234 0.515066 0.815481 Cl\n0.388371 0.088211 0.481618 O\n0.170001 0.850572 0.281170 O\n0.433704 0.884672 0.398965 O\n0.670001 0.649428 0.218830 O\n0.944720 0.242143 0.609013 O\n0.775036 0.596317 0.320529 O\n0.111629 0.588211 0.981618 O\n0.868648 0.165869 0.093244 O\n0.049063 0.405300 0.354196 O\n0.327934 0.194459 0.148291 O\n0.106045 0.194313 0.215849 O\n0.725193 0.952050 0.084605 O\n0.172066 0.694459 0.648291 O\n0.919404 0.366532 0.242298 O\n0.370273 0.652511 0.499530 O\n0.453257 0.494114 0.642796 O\n0.950937 0.594700 0.645804 O\n0.520853 0.199212 0.778206 O\n0.979147 0.699212 0.278206 O\n0.829999 0.149428 0.718830 O\n0.416600 0.400304 0.993657 O\n0.479147 0.800788 0.221794 O\n0.055280 0.757857 0.390987 O\n0.580596 0.866532 0.742298 O\n0.083400 0.900304 0.493657 O\n0.100753 0.860333 0.035913 O\n0.827934 0.305541 0.351709 O\n0.275036 0.903683 0.179471 O\n0.933704 0.615328 0.101035 O\n0.606045 0.305687 0.284151 O\n0.679218 0.501741 0.117176 O\n0.224964 0.403683 0.679471 O\n0.893955 0.805687 0.784151 O\n0.129386 0.210938 0.461945 O\n0.274807 0.047950 0.915395 O\n0.900935 0.408110 0.478517 O\n0.444720 0.257857 0.890987 O\n0.546743 0.505886 0.357204 O\n0.672066 0.805541 0.851709 O\n0.631352 0.665869 0.593244 O\n0.481596 0.870456 0.633492 O\n0.020853 0.300788 0.721794 O\n0.870614 0.789062 0.538055 O\n0.129727 0.152511 0.999530 O\n0.774807 0.452050 0.584605 O\n0.179218 0.998259 0.382824 O\n0.899247 0.139667 0.964087 O\n0.450937 0.905300 0.854196 O\n0.888371 0.411789 0.018382 O\n0.583400 0.599696 0.006343 O\n0.370614 0.710938 0.961945 O\n0.368648 0.334131 0.406756 O\n0.419404 0.133468 0.257702 O\n0.600753 0.639667 0.464087 O\n0.629727 0.347489 0.500470 O\n0.393955 0.694313 0.715849 O\n0.080596 0.633468 0.757702 O\n0.099065 0.591890 0.521483 O\n0.870273 0.847489 0.000470 O\n0.329999 0.350572 0.781170 O\n0.953257 0.005886 0.857204 O\n0.399247 0.360333 0.535913 O\n0.400935 0.091890 0.021483 O\n0.566296 0.115328 0.601035 O\n0.131352 0.834131 0.906756 O\n0.916600 0.099696 0.506343 O\n0.225193 0.547950 0.415395 O\n0.518404 0.129544 0.366508 O\n0.981596 0.629544 0.866508 O\n0.555280 0.742143 0.109013 O\n0.018404 0.370456 0.133492 O\n0.549063 0.094700 0.145804 O\n0.066296 0.384672 0.898965 O\n0.320782 0.498259 0.882824 O\n0.599065 0.908110 0.978517 O\n0.611629 0.911789 0.518382 O\n0.820782 0.001741 0.617176 O\n0.046743 0.994114 0.142796 O\n0.724964 0.096317 0.820529 O\n0.629386 0.289062 0.038055 O\n","nsites":192,"nelements":5,"elements":["In","Re","C","Cl","O"],"chemical_system":"C-Cl-In-O-Re","density":2.9942263065280135,"density_atomic":0.05390722496337891,"volume":3561.6747129987198,"volume_molar":11.171305449484839,"formula_full":"In8 Re16 C80 Cl8 O80","formula_reduced":"InRe2C10ClO10","formula_anonymous":"ABC2D10E10","energy":-1569.7729440100002,"energy_per_atom":-8.175900750052085,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-1509.90094401,"band_gap":3.4859,"is_gap_direct":true,"is_magnetic":false,"total_magnetization":0.0001072,"is_theoretical":false,"updated_at":"2021-11-28T01:35:23.504000Z","spacegroup":14},{"id":"mp-707854","created_at":"2022-09-04T14:41:28.587254Z","structure_string":"Cs4 H96 Ru4 S8 O80\n1.0\n12.474673 0.000000 0.000000\n0.000000 12.474673 0.000000\n0.000000 0.000000 12.474673\nCs H Ru S O\n4 96 4 8 80\ndirect\n0.000000 0.000000 0.500000 Cs\n0.000000 0.500000 0.000000 Cs\n0.500000 0.000000 0.000000 Cs\n0.500000 0.500000 0.500000 Cs\n0.219195 0.508388 0.229459 H\n0.780805 0.008388 0.270541 H\n0.280805 0.491612 0.729459 H\n0.719195 0.991612 0.770541 H\n0.229459 0.219195 0.508388 H\n0.270541 0.780805 0.008388 H\n0.729459 0.280805 0.491612 H\n0.770541 0.719195 0.991612 H\n0.508388 0.229459 0.219195 H\n0.008388 0.270541 0.780805 H\n0.491612 0.729459 0.280805 H\n0.991612 0.770541 0.719195 H\n0.780805 0.491612 0.770541 H\n0.219195 0.991612 0.729459 H\n0.719195 0.508388 0.270541 H\n0.280805 0.008388 0.229459 H\n0.770541 0.780805 0.491612 H\n0.729459 0.219195 0.991612 H\n0.270541 0.719195 0.508388 H\n0.229459 0.280805 0.008388 H\n0.491612 0.770541 0.780805 H\n0.991612 0.729459 0.219195 H\n0.508388 0.270541 0.719195 H\n0.008388 0.229459 0.280805 H\n0.181792 0.627585 0.220555 H\n0.818208 0.127585 0.279445 H\n0.318208 0.372415 0.720555 H\n0.681792 0.872415 0.779445 H\n0.220555 0.181792 0.627585 H\n0.279445 0.818208 0.127585 H\n0.720555 0.318208 0.372415 H\n0.779445 0.681792 0.872415 H\n0.627585 0.220555 0.181792 H\n0.127585 0.279445 0.818208 H\n0.372415 0.720555 0.318208 H\n0.872415 0.779445 0.681792 H\n0.818208 0.372415 0.779445 H\n0.181792 0.872415 0.720555 H\n0.681792 0.627585 0.279445 H\n0.318208 0.127585 0.220555 H\n0.779445 0.818208 0.372415 H\n0.720555 0.181792 0.872415 H\n0.279445 0.681792 0.627585 H\n0.220555 0.318208 0.127585 H\n0.372415 0.779445 0.818208 H\n0.872415 0.720555 0.181792 H\n0.627585 0.279445 0.681792 H\n0.127585 0.220555 0.318208 H\n0.476505 0.710006 0.937304 H\n0.523495 0.210006 0.562696 H\n0.023495 0.289994 0.437304 H\n0.976505 0.789994 0.062696 H\n0.937304 0.476505 0.710006 H\n0.562696 0.523495 0.210006 H\n0.437304 0.023495 0.289994 H\n0.062696 0.976505 0.789994 H\n0.710006 0.937304 0.476505 H\n0.210006 0.562696 0.523495 H\n0.289994 0.437304 0.023495 H\n0.789994 0.062696 0.976505 H\n0.523495 0.289994 0.062696 H\n0.476505 0.789994 0.437304 H\n0.976505 0.710006 0.562696 H\n0.023495 0.210006 0.937304 H\n0.062696 0.523495 0.289994 H\n0.437304 0.476505 0.789994 H\n0.562696 0.976505 0.710006 H\n0.937304 0.023495 0.210006 H\n0.289994 0.062696 0.523495 H\n0.789994 0.437304 0.476505 H\n0.710006 0.562696 0.976505 H\n0.210006 0.937304 0.023495 H\n0.527751 0.705865 0.062805 H\n0.472249 0.205865 0.437195 H\n0.972249 0.294135 0.562805 H\n0.027751 0.794135 0.937195 H\n0.062805 0.527751 0.705865 H\n0.437195 0.472249 0.205865 H\n0.562805 0.972249 0.294135 H\n0.937195 0.027751 0.794135 H\n0.705865 0.062805 0.527751 H\n0.205865 0.437195 0.472249 H\n0.294135 0.562805 0.972249 H\n0.794135 0.937195 0.027751 H\n0.472249 0.294135 0.937195 H\n0.527751 0.794135 0.562805 H\n0.027751 0.705865 0.437195 H\n0.972249 0.205865 0.062805 H\n0.937195 0.472249 0.294135 H\n0.562805 0.527751 0.794135 H\n0.437195 0.027751 0.705865 H\n0.062805 0.972249 0.205865 H\n0.294135 0.937195 0.472249 H\n0.794135 0.562805 0.527751 H\n0.705865 0.437195 0.027751 H\n0.205865 0.062805 0.972249 H\n0.500000 0.500000 0.000000 Ru\n0.500000 0.000000 0.500000 Ru\n0.000000 0.500000 0.500000 Ru\n0.000000 0.000000 0.000000 Ru\n0.173794 0.826206 0.326206 S\n0.826206 0.326206 0.173794 S\n0.326206 0.173794 0.826206 S\n0.673794 0.673794 0.673794 S\n0.826206 0.173794 0.673794 S\n0.173794 0.673794 0.826206 S\n0.673794 0.826206 0.173794 S\n0.326206 0.326206 0.326206 S\n0.243353 0.756647 0.256647 O\n0.756647 0.256647 0.243353 O\n0.256647 0.243353 0.756647 O\n0.743353 0.743353 0.743353 O\n0.756647 0.243353 0.743353 O\n0.243353 0.743353 0.756647 O\n0.743353 0.756647 0.243353 O\n0.256647 0.256647 0.256647 O\n0.064111 0.778875 0.333801 O\n0.935889 0.278875 0.166199 O\n0.435889 0.221125 0.833801 O\n0.564111 0.721125 0.666199 O\n0.333801 0.064111 0.778875 O\n0.166199 0.935889 0.278875 O\n0.833801 0.435889 0.221125 O\n0.666199 0.564111 0.721125 O\n0.778875 0.333801 0.064111 O\n0.278875 0.166199 0.935889 O\n0.221125 0.833801 0.435889 O\n0.721125 0.666199 0.564111 O\n0.935889 0.221125 0.666199 O\n0.064111 0.721125 0.833801 O\n0.564111 0.778875 0.166199 O\n0.435889 0.278875 0.333801 O\n0.666199 0.935889 0.221125 O\n0.833801 0.064111 0.721125 O\n0.166199 0.564111 0.778875 O\n0.333801 0.435889 0.278875 O\n0.221125 0.666199 0.935889 O\n0.721125 0.833801 0.064111 O\n0.778875 0.166199 0.564111 O\n0.278875 0.333801 0.435889 O\n0.156598 0.553268 0.209277 O\n0.843402 0.053268 0.290723 O\n0.343402 0.446732 0.709277 O\n0.656598 0.946732 0.790723 O\n0.209277 0.156598 0.553268 O\n0.290723 0.843402 0.053268 O\n0.709277 0.343402 0.446732 O\n0.790723 0.656598 0.946732 O\n0.553268 0.209277 0.156598 O\n0.053268 0.290723 0.843402 O\n0.446732 0.709277 0.343402 O\n0.946732 0.790723 0.656598 O\n0.843402 0.446732 0.790723 O\n0.156598 0.946732 0.709277 O\n0.656598 0.553268 0.290723 O\n0.343402 0.053268 0.209277 O\n0.790723 0.843402 0.446732 O\n0.709277 0.156598 0.946732 O\n0.290723 0.656598 0.553268 O\n0.209277 0.343402 0.053268 O\n0.446732 0.790723 0.843402 O\n0.946732 0.709277 0.156598 O\n0.553268 0.290723 0.656598 O\n0.053268 0.209277 0.343402 O\n0.502127 0.663594 0.999587 O\n0.497873 0.163594 0.500413 O\n0.997873 0.336406 0.499587 O\n0.002127 0.836406 0.000413 O\n0.999587 0.502127 0.663594 O\n0.500413 0.497873 0.163594 O\n0.499587 0.997873 0.336406 O\n0.000413 0.002127 0.836406 O\n0.663594 0.999587 0.502127 O\n0.163594 0.500413 0.497873 O\n0.336406 0.499587 0.997873 O\n0.836406 0.000413 0.002127 O\n0.497873 0.336406 0.000413 O\n0.502127 0.836406 0.499587 O\n0.002127 0.663594 0.500413 O\n0.997873 0.163594 0.999587 O\n0.000413 0.497873 0.336406 O\n0.499587 0.502127 0.836406 O\n0.500413 0.002127 0.663594 O\n0.999587 0.997873 0.163594 O\n0.336406 0.000413 0.497873 O\n0.836406 0.499587 0.502127 O\n0.663594 0.500413 0.002127 O\n0.163594 0.999587 0.997873 O\n","nsites":192,"nelements":5,"elements":["Cs","H","Ru","S","O"],"chemical_system":"Cs-H-O-Ru-S","density":2.197600218187411,"density_atomic":0.09890396851863925,"volume":1941.2770071386574,"volume_molar":6.088876766219021,"formula_full":"Cs4 H96 Ru4 S8 O80","formula_reduced":"CsH24Ru(SO10)2","formula_anonymous":"ABC2D20E24","energy":-1065.80343953,"energy_per_atom":-5.5510595808854175,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-1010.84343953,"band_gap":0.4185999999999999,"is_gap_direct":true,"is_magnetic":true,"total_magnetization":4.007013,"is_theoretical":false,"updated_at":"2021-11-28T01:35:23.477000Z","spacegroup":205}]}