{"count":146323,"next":"https://simmate.org/third-parties/MatprojStructure/?format=json&ordering=-nelements&page=63","previous":"https://simmate.org/third-parties/MatprojStructure/?format=json&ordering=-nelements&page=61","results":[{"id":"mp-1178117","created_at":"2022-09-04T14:46:37.109137Z","structure_string":"Li12 Fe3 Co1 P4 C4 O28\n1.0\n6.483041 0.000000 0.000000\n0.000000 8.497186 0.000000\n0.000000 0.911514 9.989230\nLi Fe Co P C O\n12 3 1 4 4 28\ndirect\n0.000000 0.905067 0.619383 Li\n0.000000 0.903023 0.117255 Li\n0.228370 0.725335 0.875697 Li\n0.771630 0.725335 0.875697 Li\n0.228045 0.725109 0.374546 Li\n0.771955 0.725109 0.374546 Li\n0.728149 0.274379 0.623318 Li\n0.271851 0.274379 0.623318 Li\n0.728464 0.274891 0.126284 Li\n0.271536 0.274891 0.126284 Li\n0.500000 0.094834 0.881351 Li\n0.500000 0.094462 0.381096 Li\n0.500000 0.666355 0.605300 Fe\n0.500000 0.665882 0.106652 Fe\n0.000000 0.333163 0.893714 Fe\n0.000000 0.333693 0.395110 Co\n0.000000 0.587511 0.638860 P\n0.000000 0.586813 0.141731 P\n0.500000 0.411666 0.859391 P\n0.500000 0.411363 0.359628 P\n0.500000 0.965828 0.650226 C\n0.500000 0.965945 0.150096 C\n0.000000 0.034050 0.850171 C\n0.000000 0.037840 0.350538 C\n0.500000 0.929255 0.527635 O\n0.000000 0.887550 0.821569 O\n0.500000 0.929122 0.027612 O\n0.500000 0.851961 0.746911 O\n0.000000 0.892245 0.320065 O\n0.500000 0.852398 0.246991 O\n0.186666 0.690610 0.585517 O\n0.813334 0.690610 0.585517 O\n0.186453 0.690630 0.088768 O\n0.813547 0.690630 0.088768 O\n0.500000 0.578058 0.909557 O\n0.000000 0.570216 0.795045 O\n0.500000 0.578503 0.408422 O\n0.000000 0.567972 0.298128 O\n0.500000 0.428804 0.703118 O\n0.000000 0.421121 0.588480 O\n0.500000 0.428121 0.203155 O\n0.000000 0.421613 0.090472 O\n0.313136 0.309076 0.912928 O\n0.686864 0.309076 0.912928 O\n0.687358 0.308834 0.412821 O\n0.312642 0.308834 0.412821 O\n0.000000 0.147273 0.753340 O\n0.500000 0.111681 0.678858 O\n0.000000 0.153683 0.255808 O\n0.000000 0.070226 0.972640 O\n0.500000 0.111884 0.178575 O\n0.000000 0.073091 0.473359 O\n","nsites":52,"nelements":6,"elements":["Li","Fe","Co","P","C","O"],"chemical_system":"C-Co-Fe-Li-O-P","density":2.8054159412213027,"density_atomic":0.09449687306421127,"volume":550.2827587180122,"volume_molar":6.372846597694205,"formula_full":"Li12 Fe3 Co1 P4 C4 O28","formula_reduced":"Li12Fe3CoP4(CO7)4","formula_anonymous":"AB3C4D4E12F28","energy":-373.55885188,"energy_per_atom":-7.183824074615385,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-345.91685188,"band_gap":2.1716999999999995,"is_gap_direct":false,"is_magnetic":true,"total_magnetization":15.0000002,"is_theoretical":true,"updated_at":"2021-11-28T01:37:40.821000Z","spacegroup":6},{"id":"mp-1199273","created_at":"2022-09-04T14:46:36.987092Z","structure_string":"Cs6 B6 H6 C18 O6 F54\n1.0\n5.772841 -9.998855 0.000000\n5.772841 9.998855 0.000000\n0.000000 0.000000 12.514233\nCs B H C O F\n6 6 6 18 6 54\ndirect\n0.666667 0.333333 0.564535 Cs\n0.333333 0.666667 0.064535 Cs\n0.333333 0.666667 0.435465 Cs\n0.666667 0.333333 0.935465 Cs\n0.000000 0.000000 0.500000 Cs\n0.000000 0.000000 0.000000 Cs\n0.366350 0.033186 0.750000 B\n0.966814 0.333164 0.750000 B\n0.666836 0.633650 0.750000 B\n0.633650 0.966814 0.250000 B\n0.033186 0.666836 0.250000 B\n0.333164 0.366350 0.250000 B\n0.557994 0.067723 0.750000 H\n0.932277 0.490271 0.750000 H\n0.509729 0.442006 0.750000 H\n0.442006 0.932277 0.250000 H\n0.067723 0.509729 0.250000 H\n0.490271 0.557994 0.250000 H\n0.315350 0.939190 0.641624 C\n0.060810 0.376160 0.641624 C\n0.623840 0.684650 0.641624 C\n0.684650 0.060810 0.141624 C\n0.939190 0.623840 0.141624 C\n0.376160 0.315350 0.141624 C\n0.684650 0.060810 0.358376 C\n0.939190 0.623840 0.358376 C\n0.376160 0.315350 0.358376 C\n0.315350 0.939190 0.858376 C\n0.060810 0.376160 0.858376 C\n0.623840 0.684650 0.858376 C\n0.305220 0.134683 0.750000 C\n0.865317 0.170537 0.750000 C\n0.829463 0.694780 0.750000 C\n0.694780 0.865317 0.250000 C\n0.134683 0.829463 0.250000 C\n0.170537 0.305220 0.250000 C\n0.512415 0.119096 0.750000 O\n0.880904 0.393319 0.750000 O\n0.606681 0.487585 0.750000 O\n0.487585 0.880904 0.250000 O\n0.119096 0.606681 0.250000 O\n0.393319 0.512415 0.250000 O\n0.178616 0.859900 0.629516 F\n0.140100 0.318716 0.629516 F\n0.681284 0.821384 0.629516 F\n0.821384 0.140100 0.129516 F\n0.859900 0.681284 0.129516 F\n0.318716 0.178616 0.129516 F\n0.821384 0.140100 0.370484 F\n0.859900 0.681284 0.370484 F\n0.318716 0.178616 0.370484 F\n0.178616 0.859900 0.870484 F\n0.140100 0.318716 0.870484 F\n0.681284 0.821384 0.870484 F\n0.364986 0.851948 0.635014 F\n0.148052 0.513038 0.635014 F\n0.486962 0.635014 0.635014 F\n0.635014 0.148052 0.135014 F\n0.851948 0.486962 0.135014 F\n0.513038 0.364986 0.135014 F\n0.635014 0.148052 0.364986 F\n0.851948 0.486962 0.364986 F\n0.513038 0.364986 0.364986 F\n0.364986 0.851948 0.864986 F\n0.148052 0.513038 0.864986 F\n0.486962 0.635014 0.864986 F\n0.359050 0.014058 0.548529 F\n0.985942 0.344993 0.548529 F\n0.655007 0.640950 0.548529 F\n0.640950 0.985942 0.048529 F\n0.014058 0.655007 0.048529 F\n0.344993 0.359050 0.048529 F\n0.640950 0.985942 0.451471 F\n0.014058 0.655007 0.451471 F\n0.344993 0.359050 0.451471 F\n0.359050 0.014058 0.951471 F\n0.985942 0.344993 0.951471 F\n0.655007 0.640950 0.951471 F\n0.167097 0.072194 0.750000 F\n0.927806 0.094904 0.750000 F\n0.905096 0.832903 0.750000 F\n0.832903 0.927806 0.250000 F\n0.072194 0.905096 0.250000 F\n0.094904 0.167097 0.250000 F\n0.345306 0.219218 0.662242 F\n0.780782 0.126088 0.662242 F\n0.873912 0.654694 0.662242 F\n0.654694 0.780782 0.162242 F\n0.219218 0.873912 0.162242 F\n0.126088 0.345306 0.162242 F\n0.654694 0.780782 0.337758 F\n0.219218 0.873912 0.337758 F\n0.126088 0.345306 0.337758 F\n0.345306 0.219218 0.837758 F\n0.780782 0.126088 0.837758 F\n0.873912 0.654694 0.837758 F\n","nsites":96,"nelements":6,"elements":["Cs","B","H","C","O","F"],"chemical_system":"B-C-Cs-F-H-O","density":2.5361148477831024,"density_atomic":0.06645032879869216,"volume":1444.688111187938,"volume_molar":9.062619958200306,"formula_full":"Cs6 B6 H6 C18 O6 F54","formula_reduced":"CsBHC3OF9","formula_anonymous":"ABCDE3F9","energy":-551.0382626400001,"energy_per_atom":-5.739981902500001,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-521.96826264,"band_gap":5.7833000000000006,"is_gap_direct":true,"is_magnetic":false,"total_magnetization":0.0025159,"is_theoretical":false,"updated_at":"2021-11-28T01:37:43.614000Z","spacegroup":176},{"id":"mp-1221308","created_at":"2022-09-04T14:46:01.621479Z","structure_string":"Na3 Ca1 Al3 Si3 S1 O16\n1.0\n-4.431406 4.569326 -4.527220\n4.438845 -4.573383 -4.538825\n-4.451307 -4.592793 -4.531650\nNa Ca Al Si S O\n3 1 3 3 1 16\ndirect\n0.628468 0.635908 0.362014 Na\n0.374766 0.003477 0.997777 Na\n0.995367 0.373866 0.999515 Na\n0.002077 0.969210 0.651585 Ca\n0.253117 0.750947 0.497249 Al\n0.748336 0.493158 0.757912 Al\n0.247267 0.502731 0.245880 Al\n0.501339 0.253571 0.255082 Si\n0.748195 0.243572 0.504981 Si\n0.496748 0.745836 0.747873 Si\n0.000810 0.005432 0.993143 S\n0.198202 0.182976 0.798358 O\n0.822498 0.020298 0.968250 O\n0.984472 0.803411 0.005766 O\n0.996769 0.009501 0.181556 O\n0.708269 0.391688 0.596502 O\n0.416574 0.409257 0.288670 O\n0.428639 0.714449 0.582003 O\n0.287415 0.708162 0.291350 O\n0.586665 0.289654 0.020734 O\n0.587685 0.994609 0.695375 O\n0.002320 0.617994 0.706962 O\n0.301111 0.593014 0.983844 O\n0.696333 0.287612 0.309248 O\n0.985766 0.280706 0.419593 O\n0.693759 0.704167 0.719189 O\n0.307032 0.014795 0.419588 O\n","nsites":27,"nelements":6,"elements":["Na","Ca","Al","Si","S","O"],"chemical_system":"Al-Ca-Na-O-S-Si","density":2.5288879480317847,"density_atomic":0.07312623549166149,"volume":369.2245309561817,"volume_molar":8.235267027641125,"formula_full":"Na3 Ca1 Al3 Si3 S1 O16","formula_reduced":"Na3CaAl3Si3SO16","formula_anonymous":"ABC3D3E3F16","energy":-197.95082726,"energy_per_atom":-7.331512120740741,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-186.95882726,"band_gap":4.575100000000001,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":0.0008889,"is_theoretical":true,"updated_at":"2021-11-28T01:37:20.750000Z","spacegroup":1},{"id":"mp-744690","created_at":"2022-09-04T14:44:49.222396Z","structure_string":"Na3 Li9 Ti6 Fe6 P18 O72\n1.0\n8.501383 0.000000 0.000000\n-4.248488 7.883648 0.000000\n-0.014919 -1.018333 20.986354\nNa Li Ti Fe P O\n3 9 6 6 18 72\ndirect\n0.345857 0.688504 0.663000 Na\n0.334496 0.668360 0.163937 Na\n0.675771 0.351181 0.333681 Na\n0.127756 0.621670 0.782516 Li\n0.582910 0.537397 0.696350 Li\n0.761772 0.766944 0.912979 Li\n0.460427 0.290670 0.449596 Li\n0.913481 0.202047 0.367433 Li\n0.080000 0.418617 0.572642 Li\n0.812663 0.967990 0.105847 Li\n0.234612 0.889675 0.025059 Li\n0.416601 0.086371 0.241442 Li\n0.189719 0.382054 0.952161 Ti\n0.473865 0.953883 0.881405 Ti\n0.529843 0.057208 0.614964 Ti\n0.860411 0.722893 0.287399 Ti\n0.131815 0.268396 0.716441 Ti\n0.142267 0.281365 0.214781 Ti\n0.810174 0.618119 0.547294 Fe\n0.866318 0.734378 0.783607 Fe\n0.208650 0.411505 0.449921 Fe\n0.471786 0.941438 0.382286 Fe\n0.536478 0.075725 0.114088 Fe\n0.807457 0.615415 0.047989 Fe\n0.904220 0.094891 0.847717 P\n0.288597 0.996619 0.748081 P\n0.473272 0.242710 0.987277 P\n0.863919 0.431396 0.676177 P\n0.052026 0.671464 0.917775 P\n0.239896 0.766358 0.512621 P\n0.426582 0.575900 0.821325 P\n0.622529 0.668442 0.416213 P\n0.804430 0.900140 0.653716 P\n0.196510 0.100139 0.344335 P\n0.385980 0.341767 0.585386 P\n0.576385 0.434681 0.180713 P\n0.759296 0.245001 0.485214 P\n0.958030 0.336996 0.081841 P\n0.138320 0.574024 0.320266 P\n0.522504 0.762318 0.010169 P\n0.717020 0.003334 0.249247 P\n0.094266 0.905463 0.155234 P\n0.384684 0.728500 0.824466 O\n0.572076 0.846910 0.944509 O\n0.239414 0.832805 0.927708 O\n0.987190 0.190203 0.910898 O\n0.704874 0.050084 0.843364 O\n0.004391 0.210823 0.792409 O\n0.409746 0.975855 0.698636 O\n0.373479 0.026842 0.815817 O\n0.526835 0.141181 0.937369 O\n0.719208 0.245443 0.664735 O\n0.038899 0.442841 0.707237 O\n0.068861 0.515858 0.936148 O\n0.262704 0.152462 0.733605 O\n0.303958 0.243489 0.963145 O\n0.712301 0.392434 0.489846 O\n0.628083 0.420756 0.997628 O\n0.922480 0.514022 0.611180 O\n0.793902 0.522114 0.723289 O\n0.980395 0.645376 0.848268 O\n0.567978 0.501973 0.599757 O\n0.325511 0.855143 0.578532 O\n0.924626 0.703384 0.962341 O\n0.042646 0.718147 0.507890 O\n0.320107 0.451896 0.872188 O\n0.341896 0.885209 0.460071 O\n0.627313 0.629886 0.829988 O\n0.743280 0.640177 0.366176 O\n0.362289 0.491088 0.752361 O\n0.109095 0.829871 0.745055 O\n0.700222 0.693833 0.483426 O\n0.877153 0.821736 0.604616 O\n0.749412 0.799941 0.715741 O\n0.052082 0.913846 0.332940 O\n0.922048 0.931121 0.844026 O\n0.375042 0.117634 0.371219 O\n0.401762 0.182985 0.601439 O\n0.605076 0.822783 0.397762 O\n0.635757 0.906702 0.630491 O\n0.065097 0.065591 0.160518 O\n0.952656 0.087733 0.669877 O\n0.245683 0.182590 0.277704 O\n0.124618 0.188788 0.391249 O\n0.314598 0.317368 0.515992 O\n0.904777 0.163575 0.259158 O\n0.658338 0.518511 0.246452 O\n0.248464 0.364306 0.629812 O\n0.376274 0.396550 0.179275 O\n0.654954 0.119022 0.537069 O\n0.668389 0.550958 0.126896 O\n0.959625 0.297572 0.493674 O\n0.076385 0.309878 0.033023 O\n0.697572 0.161845 0.416602 O\n0.442831 0.496998 0.409320 O\n0.049276 0.362347 0.149352 O\n0.194453 0.481179 0.267212 O\n0.087677 0.468084 0.380479 O\n0.380897 0.575867 0.000509 O\n0.259874 0.600612 0.511778 O\n0.698922 0.778660 0.038758 O\n0.731526 0.846797 0.269023 O\n0.941198 0.495507 0.071141 O\n0.963366 0.569655 0.297470 O\n0.288411 0.755251 0.328200 O\n0.447231 0.849352 0.058433 O\n0.641600 0.966794 0.179475 O\n0.589925 0.040093 0.292576 O\n0.988975 0.784766 0.207279 O\n0.293833 0.947298 0.163805 O\n0.028854 0.826606 0.087329 O\n0.778068 0.169123 0.080408 O\n0.418721 0.138038 0.048483 O\n0.580579 0.262550 0.177935 O\n","nsites":114,"nelements":6,"elements":["Na","Li","Ti","Fe","P","O"],"chemical_system":"Fe-Li-Na-O-P-Ti","density":2.9079977029022204,"density_atomic":0.08104963245229087,"volume":1406.5455517901955,"volume_molar":7.43018885809862,"formula_full":"Na3 Li9 Ti6 Fe6 P18 O72","formula_reduced":"NaLi3Ti2Fe2(PO4)6","formula_anonymous":"AB2C2D3E6F24","energy":-864.37584651,"energy_per_atom":-7.582244267631578,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-801.37584651,"band_gap":2.2378,"is_gap_direct":true,"is_magnetic":true,"total_magnetization":0.117928,"is_theoretical":true,"updated_at":"2021-11-28T01:36:41.178000Z","spacegroup":1},{"id":"mp-707729","created_at":"2022-09-04T14:46:42.389962Z","structure_string":"Ba2 H12 C4 S4 N4 O6\n1.0\n2.265345 8.178837 0.000000\n-2.265345 8.178837 0.000000\n0.000000 3.375900 13.143808\nBa H C S N O\n2 12 4 4 4 6\ndirect\n0.121038 0.121038 0.728428 Ba\n0.878962 0.878962 0.271572 Ba\n0.792760 0.134808 0.617554 H\n0.134808 0.792760 0.617554 H\n0.207240 0.865192 0.382446 H\n0.865192 0.207240 0.382446 H\n0.939979 0.281629 0.973613 H\n0.281629 0.939979 0.973613 H\n0.060021 0.718371 0.026387 H\n0.718371 0.060021 0.026387 H\n0.768468 0.768468 0.744311 H\n0.231532 0.231532 0.255689 H\n0.728904 0.728904 0.860741 H\n0.271096 0.271096 0.139259 H\n0.341309 0.341309 0.504145 C\n0.658691 0.658691 0.495855 C\n0.435279 0.435279 0.851426 C\n0.564721 0.564721 0.148574 C\n0.345008 0.345008 0.623566 S\n0.654992 0.654992 0.376434 S\n0.336623 0.336623 0.916266 S\n0.663377 0.663377 0.083734 S\n0.339018 0.339018 0.417221 N\n0.660982 0.660982 0.582779 N\n0.507184 0.507184 0.804537 N\n0.492816 0.492816 0.195463 N\n0.999158 0.999158 0.623325 O\n0.000842 0.000842 0.376675 O\n0.099731 0.099731 0.934489 O\n0.900269 0.900269 0.065511 O\n0.714271 0.714271 0.795025 O\n0.285729 0.285729 0.204975 O\n","nsites":32,"nelements":6,"elements":["Ba","H","C","S","N","O"],"chemical_system":"Ba-C-H-N-O-S","density":2.0970088494019397,"density_atomic":0.06570113483567476,"volume":487.0539919901728,"volume_molar":9.165961554639791,"formula_full":"Ba2 H12 C4 S4 N4 O6","formula_reduced":"BaH6C2S2N2O3","formula_anonymous":"AB2C2D2E3F6","energy":-193.49386936,"energy_per_atom":-6.0466834175,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-185.91586936,"band_gap":4.1044,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":0.000187,"is_theoretical":false,"updated_at":"2021-11-28T01:37:49.360000Z","spacegroup":12},{"id":"mp-1235256","created_at":"2022-09-04T14:46:41.972470Z","structure_string":"Ba1 Li1 Al3 P2 H2 O14\n1.0\n5.228896 3.307577 -3.602365\n-5.230775 3.307631 3.598975\n0.264604 -0.005867 7.628712\nBa Li Al P H O\n1 1 3 2 2 14\ndirect\n0.000304 0.995900 0.992398 Ba\n0.456248 0.534909 0.758118 Li\n0.996133 0.995453 0.482677 Al\n0.501129 0.000892 0.488780 Al\n0.993181 0.492869 0.487044 Al\n0.280102 0.712411 0.863853 P\n0.714614 0.275914 0.120965 P\n0.329344 0.666291 0.341539 H\n0.675718 0.320992 0.644884 H\n0.348442 0.642397 0.095627 O\n0.630100 0.357167 0.884895 O\n0.133768 0.855918 0.757262 O\n0.857281 0.132495 0.206125 O\n0.135864 0.488904 0.774156 O\n0.504580 0.858793 0.775258 O\n0.495124 0.116609 0.210561 O\n0.875523 0.496982 0.209020 O\n0.320019 0.674300 0.463276 O\n0.687743 0.307138 0.528904 O\n0.789453 0.971405 0.583854 O\n0.023091 0.204694 0.582826 O\n0.976655 0.784103 0.391538 O\n0.209681 0.017324 0.392868 O\n","nsites":23,"nelements":6,"elements":["Ba","Li","Al","P","H","O"],"chemical_system":"Al-Ba-H-Li-O-P","density":3.153382247308039,"density_atomic":0.0851130417930053,"volume":270.2288570056742,"volume_molar":7.0754618013134,"formula_full":"Ba1 Li1 Al3 P2 H2 O14","formula_reduced":"BaLiAl3P2(HO7)2","formula_anonymous":"ABC2D2E3F14","energy":-161.66621852,"energy_per_atom":-7.028966022608696,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-152.04821852,"band_gap":2.6484,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":0.0,"is_theoretical":true,"updated_at":"2021-11-28T01:37:48.841000Z","spacegroup":8},{"id":"mp-1198602","created_at":"2022-09-04T14:46:51.247587Z","structure_string":"Dy4 H8 C8 S4 N4 O36\n1.0\n8.702126 0.000000 0.000000\n0.000000 6.609047 0.000000\n0.000000 5.944487 13.985591\nDy H C S N O\n4 8 8 4 4 36\ndirect\n0.730559 0.330797 0.417342 Dy\n0.769441 0.330797 0.917342 Dy\n0.269441 0.669203 0.582658 Dy\n0.230559 0.669203 0.082658 Dy\n0.941565 0.042566 0.568168 H\n0.558435 0.042566 0.068168 H\n0.058435 0.957434 0.431832 H\n0.441565 0.957434 0.931832 H\n0.022679 0.271769 0.537107 H\n0.477321 0.271769 0.037107 H\n0.977321 0.728231 0.462893 H\n0.522679 0.728231 0.962893 H\n0.027007 0.612355 0.276431 C\n0.472993 0.612355 0.776431 C\n0.972993 0.387645 0.723569 C\n0.527007 0.387645 0.223569 C\n0.024990 0.338360 0.265712 C\n0.475010 0.338360 0.765712 C\n0.975010 0.661640 0.734288 C\n0.524990 0.661640 0.234288 C\n0.330131 0.264337 0.474404 S\n0.169869 0.264337 0.974404 S\n0.669869 0.735663 0.525596 S\n0.830131 0.735663 0.025596 S\n0.836228 0.046381 0.186706 N\n0.663772 0.046381 0.686706 N\n0.163772 0.953619 0.813294 N\n0.336228 0.953619 0.313294 N\n0.500284 0.264439 0.488255 O\n0.999716 0.264439 0.988255 O\n0.499716 0.735561 0.511745 O\n0.000284 0.735561 0.011745 O\n0.256462 0.416678 0.513718 O\n0.243538 0.416678 0.013718 O\n0.743538 0.583322 0.486282 O\n0.756462 0.583322 0.986282 O\n0.291536 0.330275 0.373254 O\n0.208464 0.330275 0.873254 O\n0.708464 0.669725 0.626746 O\n0.791536 0.669725 0.126746 O\n0.270000 0.039706 0.532686 O\n0.230000 0.039706 0.032686 O\n0.730000 0.960294 0.467314 O\n0.770000 0.960294 0.967314 O\n0.938749 0.606817 0.339988 O\n0.561251 0.606817 0.839988 O\n0.061251 0.393183 0.660012 O\n0.438749 0.393183 0.160012 O\n0.944738 0.209995 0.329790 O\n0.555262 0.209995 0.829790 O\n0.055262 0.790005 0.670210 O\n0.444738 0.790005 0.170210 O\n0.103522 0.346926 0.197802 O\n0.396478 0.346926 0.697802 O\n0.896478 0.653074 0.802198 O\n0.603522 0.653074 0.302198 O\n0.116813 0.734878 0.217596 O\n0.383187 0.734878 0.717596 O\n0.883187 0.265122 0.782404 O\n0.616813 0.265122 0.282404 O\n0.929230 0.198431 0.528259 O\n0.570770 0.198431 0.028259 O\n0.070770 0.801569 0.471741 O\n0.429230 0.801569 0.971741 O\n","nsites":64,"nelements":6,"elements":["Dy","H","C","S","N","O"],"chemical_system":"C-Dy-H-N-O-S","density":3.1264304654029647,"density_atomic":0.07956735895847769,"volume":804.3499349199019,"volume_molar":7.568607075600763,"formula_full":"Dy4 H8 C8 S4 N4 O36","formula_reduced":"DyH2C2SNO9","formula_anonymous":"ABCD2E2F9","energy":-445.54164626,"energy_per_atom":-6.9615882228125,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-419.36564626,"band_gap":0.4111,"is_gap_direct":false,"is_magnetic":true,"total_magnetization":15.9994034,"is_theoretical":false,"updated_at":"2021-11-28T01:37:40.250000Z","spacegroup":14},{"id":"mp-699460","created_at":"2022-09-04T14:46:51.948079Z","structure_string":"K2 Li2 H8 S4 N4 O12\n1.0\n8.568784 0.000000 0.000000\n0.000000 5.302374 0.000000\n0.000000 2.306591 8.702632\nK Li H S N O\n2 2 8 4 4 12\ndirect\n0.500014 0.202394 0.464585 K\n0.000014 0.797606 0.535415 K\n0.807318 0.093036 0.843395 Li\n0.307318 0.906964 0.156605 Li\n0.158661 0.458699 0.858461 H\n0.658661 0.541301 0.141539 H\n0.291896 0.487178 0.714966 H\n0.791896 0.512822 0.285034 H\n0.022808 0.626934 0.047681 H\n0.522808 0.373066 0.952319 H\n0.953011 0.318758 0.079006 H\n0.453011 0.681242 0.920994 H\n0.191301 0.086958 0.794087 S\n0.691301 0.913042 0.205913 S\n0.132631 0.358134 0.253437 S\n0.632631 0.641866 0.746563 S\n0.185440 0.410331 0.757230 N\n0.685440 0.589669 0.242770 N\n0.050764 0.431986 0.079155 N\n0.550764 0.568014 0.920845 N\n0.257434 0.030107 0.656637 O\n0.757434 0.969893 0.343363 O\n0.028209 0.999045 0.822835 O\n0.528209 0.000955 0.177165 O\n0.289455 0.981941 0.931386 O\n0.789455 0.018059 0.068614 O\n0.020656 0.400228 0.368310 O\n0.520656 0.599772 0.631690 O\n0.269636 0.530762 0.236949 O\n0.769636 0.469238 0.763051 O\n0.176965 0.081302 0.280715 O\n0.676965 0.918698 0.719285 O\n","nsites":32,"nelements":6,"elements":["K","Li","H","S","N","O"],"chemical_system":"H-K-Li-N-O-S","density":2.000785255556923,"density_atomic":0.08093004957816109,"volume":395.40319284118135,"volume_molar":7.441167763259433,"formula_full":"K2 Li2 H8 S4 N4 O12","formula_reduced":"KLiH4S2(NO3)2","formula_anonymous":"ABC2D2E4F6","energy":-189.21991374,"energy_per_atom":-5.913122304375,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-179.53191374,"band_gap":5.1939,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":0.0006542,"is_theoretical":false,"updated_at":"2021-11-28T01:37:43.693000Z","spacegroup":4},{"id":"mp-1234960","created_at":"2022-09-04T14:44:56.742995Z","structure_string":"Sr2 Mg1 Zn2 Sn2 P4 O16\n1.0\n5.445280 0.532483 -1.229975\n-0.788405 7.466887 -2.470403\n-0.103541 0.192691 9.734492\nSr Mg Zn Sn P O\n2 1 2 2 4 16\ndirect\n0.123021 0.744500 0.983195 Sr\n0.876979 0.255500 0.016805 Sr\n0.000000 0.000000 0.500000 Mg\n0.030280 0.435111 0.603006 Zn\n0.969720 0.564889 0.396994 Zn\n0.592223 0.819313 0.574669 Sn\n0.407777 0.180687 0.425331 Sn\n0.405644 0.473765 0.240573 P\n0.594356 0.526235 0.759427 P\n0.738005 0.934946 0.229204 P\n0.261995 0.065054 0.770796 P\n0.769958 0.496911 0.894557 O\n0.676602 0.455983 0.228067 O\n0.691153 0.704576 0.746900 O\n0.086031 0.189084 0.691762 O\n0.323398 0.544017 0.771933 O\n0.242232 0.885501 0.630644 O\n0.757768 0.114499 0.369356 O\n0.152332 0.025218 0.887738 O\n0.308847 0.295424 0.253100 O\n0.847668 0.974782 0.112262 O\n0.230042 0.503088 0.105443 O\n0.371372 0.616534 0.387614 O\n0.628628 0.383466 0.612386 O\n0.469897 0.881732 0.185626 O\n0.913969 0.810916 0.308238 O\n0.530103 0.118268 0.814374 O\n","nsites":27,"nelements":6,"elements":["Sr","Mg","Zn","Sn","P","O"],"chemical_system":"Mg-O-P-Sn-Sr-Zn","density":3.9160052186416463,"density_atomic":0.06718951516638602,"volume":401.8484124068769,"volume_molar":8.962917421099046,"formula_full":"Sr2 Mg1 Zn2 Sn2 P4 O16","formula_reduced":"Sr2MgZn2Sn2(PO4)4","formula_anonymous":"AB2C2D2E4F16","energy":-185.76440679,"energy_per_atom":-6.880163214444445,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-174.77240679,"band_gap":1.9056,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":0.0,"is_theoretical":true,"updated_at":"2021-11-28T01:36:46.898000Z","spacegroup":2},{"id":"mp-1197282","created_at":"2022-09-04T14:46:55.244825Z","structure_string":"Cu8 Sn24 H216 C72 N8 Cl8\n1.0\n16.324049 0.000000 -0.000000\n-0.000000 16.324049 -0.000000\n-0.000000 -0.000000 16.324049\nCu Sn H C N Cl\n8 24 216 72 8 8\ndirect\n0.231179 0.731179 0.768821 Cu\n0.731179 0.768821 0.231179 Cu\n0.768821 0.231179 0.731179 Cu\n0.268821 0.268821 0.268821 Cu\n0.729906 0.729906 0.729906 Cu\n0.270094 0.229906 0.770094 Cu\n0.229906 0.770094 0.270094 Cu\n0.770094 0.270094 0.229906 Cu\n0.168918 0.544738 0.777463 Sn\n0.222537 0.668918 0.955262 Sn\n0.044738 0.722537 0.831082 Sn\n0.668918 0.955262 0.222537 Sn\n0.722537 0.831082 0.044738 Sn\n0.544738 0.777463 0.168918 Sn\n0.831082 0.044738 0.722537 Sn\n0.777463 0.168918 0.544738 Sn\n0.955262 0.222537 0.668918 Sn\n0.331082 0.455262 0.277463 Sn\n0.277463 0.331082 0.455262 Sn\n0.455262 0.277463 0.331082 Sn\n0.542171 0.718630 0.671095 Sn\n0.328905 0.042171 0.781370 Sn\n0.218630 0.828905 0.457829 Sn\n0.042171 0.781370 0.328905 Sn\n0.828905 0.457829 0.218630 Sn\n0.718630 0.671095 0.542171 Sn\n0.457829 0.218630 0.828905 Sn\n0.671095 0.542171 0.718630 Sn\n0.781370 0.328905 0.042171 Sn\n0.957829 0.281370 0.171095 Sn\n0.171095 0.957829 0.281370 Sn\n0.281370 0.171095 0.957829 Sn\n0.170358 0.398653 0.859169 H\n0.140831 0.670358 0.101347 H\n0.898653 0.640831 0.829642 H\n0.670358 0.101347 0.140831 H\n0.640831 0.829642 0.898653 H\n0.398653 0.859169 0.170358 H\n0.829642 0.898653 0.640831 H\n0.859169 0.170358 0.398653 H\n0.101347 0.140831 0.670358 H\n0.329642 0.601347 0.359169 H\n0.359169 0.329642 0.601347 H\n0.601347 0.359169 0.329642 H\n0.073931 0.446880 0.875926 H\n0.124074 0.573931 0.053120 H\n0.946880 0.624074 0.926069 H\n0.573931 0.053120 0.124074 H\n0.624074 0.926069 0.946880 H\n0.446880 0.875926 0.073931 H\n0.926069 0.946880 0.624074 H\n0.875926 0.073931 0.446880 H\n0.053120 0.124074 0.573931 H\n0.426069 0.553120 0.375926 H\n0.375926 0.426069 0.553120 H\n0.553120 0.375926 0.426069 H\n0.161158 0.479245 0.933043 H\n0.066957 0.661158 0.020755 H\n0.979245 0.566957 0.838842 H\n0.661158 0.020755 0.066957 H\n0.566957 0.838842 0.979245 H\n0.479245 0.933043 0.161158 H\n0.838842 0.979245 0.566957 H\n0.933043 0.161158 0.479245 H\n0.020755 0.066957 0.661158 H\n0.338842 0.520755 0.433043 H\n0.433043 0.338842 0.520755 H\n0.520755 0.433043 0.338842 H\n0.295307 0.467244 0.700836 H\n0.299164 0.795307 0.032756 H\n0.967244 0.799164 0.704693 H\n0.795307 0.032756 0.299164 H\n0.799164 0.704693 0.967244 H\n0.467244 0.700836 0.295307 H\n0.704693 0.967244 0.799164 H\n0.700836 0.295307 0.467244 H\n0.032756 0.299164 0.795307 H\n0.204693 0.532756 0.200836 H\n0.200836 0.204693 0.532756 H\n0.532756 0.200836 0.204693 H\n0.336837 0.539893 0.772004 H\n0.227996 0.836837 0.960107 H\n0.039893 0.727996 0.663163 H\n0.836837 0.960107 0.227996 H\n0.727996 0.663163 0.039893 H\n0.539893 0.772004 0.336837 H\n0.663163 0.039893 0.727996 H\n0.772004 0.336837 0.539893 H\n0.960107 0.227996 0.836837 H\n0.163163 0.460107 0.272004 H\n0.272004 0.163163 0.460107 H\n0.460107 0.272004 0.163163 H\n0.297770 0.574243 0.675672 H\n0.324328 0.797770 0.925757 H\n0.074243 0.824328 0.702230 H\n0.797770 0.925757 0.324328 H\n0.824328 0.702230 0.074243 H\n0.574243 0.675672 0.297770 H\n0.702230 0.074243 0.824328 H\n0.675672 0.297770 0.574243 H\n0.925757 0.324328 0.797770 H\n0.202230 0.425757 0.175672 H\n0.175672 0.202230 0.425757 H\n0.425757 0.175672 0.202230 H\n0.079210 0.478101 0.653745 H\n0.346255 0.579210 0.021899 H\n0.978101 0.846255 0.920790 H\n0.579210 0.021899 0.346255 H\n0.846255 0.920790 0.978101 H\n0.478101 0.653745 0.079210 H\n0.920790 0.978101 0.846255 H\n0.653745 0.079210 0.478101 H\n0.021899 0.346255 0.579210 H\n0.420790 0.521899 0.153745 H\n0.153745 0.420790 0.521899 H\n0.521899 0.153745 0.420790 H\n0.092621 0.584467 0.632625 H\n0.367375 0.592621 0.915533 H\n0.084467 0.867375 0.907379 H\n0.592621 0.915533 0.367375 H\n0.867375 0.907379 0.084467 H\n0.584467 0.632625 0.092621 H\n0.907379 0.084467 0.867375 H\n0.632625 0.092621 0.584467 H\n0.915533 0.367375 0.592621 H\n0.407379 0.415533 0.132625 H\n0.132625 0.407379 0.415533 H\n0.415533 0.132625 0.407379 H\n0.016343 0.551475 0.704169 H\n0.295831 0.516343 0.948525 H\n0.051475 0.795831 0.983657 H\n0.516343 0.948525 0.295831 H\n0.795831 0.983657 0.051475 H\n0.551475 0.704169 0.016343 H\n0.983657 0.051475 0.795831 H\n0.704169 0.016343 0.551475 H\n0.948525 0.295831 0.516343 H\n0.483657 0.448525 0.204169 H\n0.204169 0.483657 0.448525 H\n0.448525 0.204169 0.483657 H\n0.548386 0.867838 0.593119 H\n0.406881 0.048386 0.632162 H\n0.367838 0.906881 0.451614 H\n0.048386 0.632162 0.406881 H\n0.906881 0.451614 0.367838 H\n0.867838 0.593119 0.548386 H\n0.451614 0.367838 0.906881 H\n0.593119 0.548386 0.867838 H\n0.632162 0.406881 0.048386 H\n0.951614 0.132162 0.093119 H\n0.093119 0.951614 0.132162 H\n0.132162 0.093119 0.951614 H\n0.612058 0.870606 0.682402 H\n0.317598 0.112058 0.629394 H\n0.370606 0.817598 0.387942 H\n0.112058 0.629394 0.317598 H\n0.817598 0.387942 0.370606 H\n0.870606 0.682402 0.612058 H\n0.387942 0.370606 0.817598 H\n0.682402 0.612058 0.870606 H\n0.629394 0.317598 0.112058 H\n0.887942 0.129394 0.182402 H\n0.182402 0.887942 0.129394 H\n0.129394 0.182402 0.887942 H\n0.503208 0.879505 0.692021 H\n0.307979 0.003208 0.620495 H\n0.379505 0.807979 0.496792 H\n0.003208 0.620495 0.307979 H\n0.807979 0.496792 0.379505 H\n0.879505 0.692021 0.503208 H\n0.496792 0.379505 0.807979 H\n0.692021 0.503208 0.879505 H\n0.620495 0.307979 0.003208 H\n0.996792 0.120495 0.192021 H\n0.192021 0.996792 0.120495 H\n0.120495 0.192021 0.996792 H\n0.428577 0.712659 0.791771 H\n0.208229 0.928577 0.787341 H\n0.212659 0.708229 0.571423 H\n0.928577 0.787341 0.208229 H\n0.708229 0.571423 0.212659 H\n0.712659 0.791771 0.428577 H\n0.571423 0.212659 0.708229 H\n0.791771 0.428577 0.712659 H\n0.787341 0.208229 0.928577 H\n0.071423 0.287341 0.291771 H\n0.291771 0.071423 0.287341 H\n0.287341 0.291771 0.071423 H\n0.528022 0.715569 0.838351 H\n0.161649 0.028022 0.784431 H\n0.215569 0.661649 0.471978 H\n0.028022 0.784431 0.161649 H\n0.661649 0.471978 0.215569 H\n0.715569 0.838351 0.528022 H\n0.471978 0.215569 0.661649 H\n0.838351 0.528022 0.715569 H\n0.784431 0.161649 0.028022 H\n0.971978 0.284431 0.338351 H\n0.338351 0.971978 0.284431 H\n0.284431 0.338351 0.971978 H\n0.488815 0.621421 0.797949 H\n0.202051 0.988815 0.878579 H\n0.121421 0.702051 0.511185 H\n0.988815 0.878579 0.202051 H\n0.702051 0.511185 0.121421 H\n0.621421 0.797949 0.488815 H\n0.511185 0.121421 0.702051 H\n0.797949 0.488815 0.621421 H\n0.878579 0.202051 0.988815 H\n0.011185 0.378579 0.297949 H\n0.297949 0.011185 0.378579 H\n0.378579 0.297949 0.011185 H\n0.473628 0.598182 0.575649 H\n0.424351 0.973628 0.901818 H\n0.098182 0.924351 0.526372 H\n0.973628 0.901818 0.424351 H\n0.924351 0.526372 0.098182 H\n0.598182 0.575649 0.473628 H\n0.526372 0.098182 0.924351 H\n0.575649 0.473628 0.598182 H\n0.901818 0.424351 0.973628 H\n0.026372 0.401818 0.075649 H\n0.075649 0.026372 0.401818 H\n0.401818 0.075649 0.026372 H\n0.491839 0.686381 0.513289 H\n0.486711 0.991839 0.813619 H\n0.186381 0.986711 0.508161 H\n0.991839 0.813619 0.486711 H\n0.986711 0.508161 0.186381 H\n0.686381 0.513289 0.491839 H\n0.508161 0.186381 0.986711 H\n0.513289 0.491839 0.686381 H\n0.813619 0.486711 0.991839 H\n0.008161 0.313619 0.013289 H\n0.013289 0.008161 0.313619 H\n0.313619 0.013289 0.008161 H\n0.406036 0.684024 0.581158 H\n0.418842 0.906036 0.815976 H\n0.184024 0.918842 0.593964 H\n0.906036 0.815976 0.418842 H\n0.918842 0.593964 0.184024 H\n0.684024 0.581158 0.406036 H\n0.593964 0.184024 0.918842 H\n0.581158 0.406036 0.684024 H\n0.815976 0.418842 0.906036 H\n0.093964 0.315976 0.081158 H\n0.081158 0.093964 0.315976 H\n0.315976 0.081158 0.093964 H\n0.140201 0.456965 0.873178 C\n0.126822 0.640201 0.043035 C\n0.956965 0.626822 0.859799 C\n0.640201 0.043035 0.126822 C\n0.626822 0.859799 0.956965 C\n0.456965 0.873178 0.140201 C\n0.859799 0.956965 0.626822 C\n0.873178 0.140201 0.456965 C\n0.043035 0.126822 0.640201 C\n0.359799 0.543035 0.373178 C\n0.373178 0.359799 0.543035 C\n0.543035 0.373178 0.359799 C\n0.289711 0.529576 0.725123 C\n0.274877 0.789711 0.970424 C\n0.029576 0.774877 0.710289 C\n0.789711 0.970424 0.274877 C\n0.774877 0.710289 0.029576 C\n0.529576 0.725123 0.289711 C\n0.710289 0.029576 0.774877 C\n0.725123 0.289711 0.529576 C\n0.970424 0.274877 0.789711 C\n0.210289 0.470424 0.225123 C\n0.225123 0.210289 0.470424 C\n0.470424 0.225123 0.210289 C\n0.078031 0.539685 0.680577 C\n0.319423 0.578031 0.960315 C\n0.039685 0.819423 0.921969 C\n0.578031 0.960315 0.319423 C\n0.819423 0.921969 0.039685 C\n0.539685 0.680577 0.078031 C\n0.921969 0.039685 0.819423 C\n0.680577 0.078031 0.539685 C\n0.960315 0.319423 0.578031 C\n0.421969 0.460315 0.180577 C\n0.180577 0.421969 0.460315 C\n0.460315 0.180577 0.421969 C\n0.553049 0.850281 0.657801 C\n0.342199 0.053049 0.649719 C\n0.350281 0.842199 0.446951 C\n0.053049 0.649719 0.342199 C\n0.842199 0.446951 0.350281 C\n0.850281 0.657801 0.553049 C\n0.446951 0.350281 0.842199 C\n0.657801 0.553049 0.850281 C\n0.649719 0.342199 0.053049 C\n0.946951 0.149719 0.157801 C\n0.157801 0.946951 0.149719 C\n0.149719 0.157801 0.946951 C\n0.491010 0.687967 0.789511 C\n0.210489 0.991010 0.812033 C\n0.187967 0.710489 0.508990 C\n0.991010 0.812033 0.210489 C\n0.710489 0.508990 0.187967 C\n0.687967 0.789511 0.491010 C\n0.508990 0.187967 0.710489 C\n0.789511 0.491010 0.687967 C\n0.812033 0.210489 0.991010 C\n0.008990 0.312033 0.289511 C\n0.289511 0.008990 0.312033 C\n0.312033 0.289511 0.008990 C\n0.470047 0.665081 0.573193 C\n0.426807 0.970047 0.834919 C\n0.165081 0.926807 0.529953 C\n0.970047 0.834919 0.426807 C\n0.926807 0.529953 0.165081 C\n0.665081 0.573193 0.470047 C\n0.529953 0.165081 0.926807 C\n0.573193 0.470047 0.665081 C\n0.834919 0.426807 0.970047 C\n0.029953 0.334919 0.073193 C\n0.073193 0.029953 0.334919 C\n0.334919 0.073193 0.029953 C\n0.164688 0.664688 0.835312 N\n0.664688 0.835312 0.164688 N\n0.835312 0.164688 0.664688 N\n0.335312 0.335312 0.335312 N\n0.663451 0.663451 0.663451 N\n0.336549 0.163451 0.836549 N\n0.163451 0.836549 0.336549 N\n0.836549 0.336549 0.163451 N\n0.305749 0.805749 0.694251 Cl\n0.805749 0.694251 0.305749 Cl\n0.694251 0.305749 0.805749 Cl\n0.194251 0.194251 0.194251 Cl\n0.804423 0.804423 0.804423 Cl\n0.195577 0.304423 0.695577 Cl\n0.304423 0.695577 0.195577 Cl\n0.695577 0.195577 0.304423 Cl\n","nsites":336,"nelements":6,"elements":["Cu","Sn","H","C","N","Cl"],"chemical_system":"C-Cl-Cu-H-N-Sn","density":1.84592136413982,"density_atomic":0.07724237312902389,"volume":4349.944031869053,"volume_molar":7.796421207749216,"formula_full":"Cu8 Sn24 H216 C72 N8 Cl8","formula_reduced":"CuSn3H27C9NCl","formula_anonymous":"ABCD3E9F27","energy":-1653.225451,"energy_per_atom":-4.920313842261905,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-1645.425451,"band_gap":2.8063,"is_gap_direct":true,"is_magnetic":false,"total_magnetization":0.0,"is_theoretical":false,"updated_at":"2021-11-28T01:37:51.498000Z","spacegroup":198},{"id":"mp-1221479","created_at":"2022-09-04T14:44:29.402205Z","structure_string":"Na6 Mn4 Cu2 H20 S8 O34\n1.0\n-7.657902 0.000000 1.452647\n0.021722 0.000000 -7.879864\n0.000000 -14.567968 0.000000\nNa Mn Cu H S O\n6 4 2 20 8 34\ndirect\n0.150327 0.783937 0.751808 Na\n0.849673 0.216063 0.251808 Na\n0.467081 0.192588 0.401582 Na\n0.532919 0.807412 0.901582 Na\n0.513641 0.802643 0.592228 Na\n0.486359 0.197357 0.092228 Na\n0.763942 0.343401 0.613923 Mn\n0.236058 0.656599 0.113923 Mn\n0.235305 0.656882 0.385287 Mn\n0.764695 0.343118 0.885287 Mn\n0.305494 0.279042 0.749742 Cu\n0.694506 0.720958 0.249742 Cu\n0.692191 0.561909 0.474440 H\n0.307809 0.438091 0.974440 H\n0.308173 0.438102 0.525550 H\n0.691827 0.561898 0.025550 H\n0.864292 0.129711 0.481481 H\n0.135708 0.870289 0.981481 H\n0.135656 0.871285 0.518086 H\n0.864344 0.128715 0.018086 H\n0.045671 0.198161 0.535257 H\n0.954329 0.801839 0.035257 H\n0.954097 0.802456 0.464314 H\n0.045903 0.197544 0.964314 H\n0.807824 0.444664 0.429512 H\n0.192176 0.555336 0.929512 H\n0.191371 0.554595 0.570301 H\n0.808629 0.445405 0.070301 H\n0.883262 0.011401 0.747508 H\n0.116738 0.988599 0.247508 H\n0.811292 0.825712 0.707222 H\n0.188708 0.174288 0.207222 H\n0.051760 0.384743 0.749692 S\n0.948240 0.615257 0.249692 S\n0.512493 0.526306 0.749353 S\n0.487507 0.473694 0.249353 S\n0.349356 0.132457 0.620514 S\n0.650644 0.867543 0.120514 S\n0.650498 0.867080 0.380062 S\n0.349502 0.132920 0.880062 S\n0.035389 0.496799 0.665386 O\n0.964611 0.503201 0.165386 O\n0.964410 0.504566 0.334443 O\n0.035590 0.495434 0.834443 O\n0.917515 0.188316 0.537885 O\n0.082485 0.811684 0.037885 O\n0.081853 0.808738 0.462894 O\n0.918147 0.191262 0.962894 O\n0.634724 0.542182 0.665420 O\n0.365276 0.457818 0.165420 O\n0.372871 0.466102 0.334960 O\n0.627129 0.533898 0.834960 O\n0.545282 0.131413 0.606834 O\n0.454718 0.868587 0.106834 O\n0.454728 0.867607 0.394478 O\n0.545273 0.132393 0.894478 O\n0.441601 0.692544 0.749514 O\n0.558399 0.307456 0.249514 O\n0.874331 0.253052 0.749512 O\n0.125669 0.746948 0.249512 O\n0.890656 0.888507 0.752724 O\n0.109344 0.111493 0.252724 O\n0.288424 0.215581 0.534512 O\n0.711576 0.784419 0.034512 O\n0.712281 0.784888 0.466326 O\n0.287719 0.215112 0.966326 O\n0.714248 0.440921 0.476021 O\n0.285752 0.559079 0.976021 O\n0.285770 0.559025 0.524152 O\n0.714230 0.440975 0.024152 O\n0.263748 0.942342 0.618218 O\n0.736252 0.057658 0.118218 O\n0.735426 0.057148 0.381758 O\n0.264574 0.942852 0.881758 O\n","nsites":74,"nelements":6,"elements":["Na","Mn","Cu","H","S","O"],"chemical_system":"Cu-H-Mn-Na-O-S","density":2.4672097042995764,"density_atomic":0.08422312925120021,"volume":878.6185060791419,"volume_molar":7.1502220512831185,"formula_full":"Na6 Mn4 Cu2 H20 S8 O34","formula_reduced":"Na3Mn2CuH10S4O17","formula_anonymous":"AB2C3D4E10F17","energy":-442.30303407,"energy_per_atom":-5.977068027972973,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-412.27303407,"band_gap":3.9056,"is_gap_direct":true,"is_magnetic":true,"total_magnetization":19.9987753,"is_theoretical":true,"updated_at":"2021-11-28T01:36:40.058000Z","spacegroup":4},{"id":"mp-1203517","created_at":"2022-09-04T14:46:01.107161Z","structure_string":"Cs4 H24 C8 S8 N4 O16\n1.0\n10.966864 0.000000 0.000000\n0.000000 9.009701 0.000000\n0.000000 5.266610 9.854481\nCs H C S N O\n4 24 8 8 4 16\ndirect\n0.024631 0.718180 0.075681 Cs\n0.475369 0.718180 0.575681 Cs\n0.975369 0.281820 0.924319 Cs\n0.524631 0.281820 0.424319 Cs\n0.793462 0.479559 0.621717 H\n0.706538 0.479559 0.121717 H\n0.206538 0.520441 0.378283 H\n0.293462 0.520441 0.878283 H\n0.926854 0.609171 0.549476 H\n0.573146 0.609171 0.049476 H\n0.073146 0.390829 0.450524 H\n0.426854 0.390829 0.950524 H\n0.787490 0.700619 0.569895 H\n0.712510 0.700619 0.069895 H\n0.212510 0.299381 0.430105 H\n0.287490 0.299381 0.930105 H\n0.659899 0.019907 0.051076 H\n0.840101 0.019907 0.551076 H\n0.340101 0.980093 0.948924 H\n0.159899 0.980093 0.448924 H\n0.563050 0.892250 0.194010 H\n0.936950 0.892250 0.694010 H\n0.436950 0.107750 0.805990 H\n0.063050 0.107750 0.305990 H\n0.562654 0.116648 0.125303 H\n0.937346 0.116648 0.625303 H\n0.437346 0.883352 0.874697 H\n0.062654 0.883352 0.374697 H\n0.827067 0.604240 0.548223 C\n0.672933 0.604240 0.048223 C\n0.172933 0.395760 0.451777 C\n0.327067 0.395760 0.951777 C\n0.618418 0.006649 0.144862 C\n0.881582 0.006649 0.644862 C\n0.381582 0.993351 0.855138 C\n0.118418 0.993351 0.355138 C\n0.778313 0.643365 0.383540 S\n0.721687 0.643365 0.883540 S\n0.221687 0.356635 0.616460 S\n0.278313 0.356635 0.116460 S\n0.738498 0.992596 0.257085 S\n0.761502 0.992596 0.757085 S\n0.261502 0.007404 0.742915 S\n0.238498 0.007404 0.242915 S\n0.818543 0.831809 0.280173 N\n0.681457 0.831809 0.780173 N\n0.181457 0.168191 0.719827 N\n0.318543 0.168191 0.219827 N\n0.849257 0.533293 0.347232 O\n0.650743 0.533293 0.847232 O\n0.150743 0.466707 0.652768 O\n0.349257 0.466707 0.152768 O\n0.645547 0.616837 0.392453 O\n0.854453 0.616837 0.892453 O\n0.354453 0.383163 0.607547 O\n0.145547 0.383163 0.107547 O\n0.816085 0.139414 0.184374 O\n0.683915 0.139414 0.684374 O\n0.183915 0.860586 0.815626 O\n0.316085 0.860586 0.315626 O\n0.681532 0.975219 0.382499 O\n0.818468 0.975219 0.882499 O\n0.318468 0.024781 0.617501 O\n0.181532 0.024781 0.117501 O\n","nsites":64,"nelements":6,"elements":["Cs","H","C","S","N","O"],"chemical_system":"C-Cs-H-N-O-S","density":2.081312143981894,"density_atomic":0.06572844852007201,"volume":973.7031900343094,"volume_molar":9.162152607574438,"formula_full":"Cs4 H24 C8 S8 N4 O16","formula_reduced":"CsH6C2S2NO4","formula_anonymous":"ABC2D2E4F6","energy":-358.9455537,"energy_per_atom":-5.6085242765625,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-346.5095537,"band_gap":5.2633,"is_gap_direct":true,"is_magnetic":false,"total_magnetization":0.0061531,"is_theoretical":false,"updated_at":"2021-11-28T01:37:19.483000Z","spacegroup":14}]}