{"count":146323,"next":"https://simmate.org/third-parties/MatprojStructure/?format=json&ordering=-formation_energy&page=43","previous":"https://simmate.org/third-parties/MatprojStructure/?format=json&ordering=-formation_energy&page=41","results":[{"id":"mp-776769","created_at":"2022-09-04T14:45:28.147264Z","structure_string":"Li4 Fe4 P6 O24\n1.0\n4.423990 7.508579 0.000000\n-4.423990 7.508579 0.000000\n0.000000 5.114047 7.125800\nLi Fe P O\n4 4 6 24\ndirect\n0.684478 0.825893 0.443022 Li\n0.174107 0.315522 0.056978 Li\n0.825893 0.684478 0.943022 Li\n0.315522 0.174107 0.556978 Li\n0.857216 0.364462 0.425433 Fe\n0.635538 0.142784 0.074567 Fe\n0.364462 0.857216 0.925433 Fe\n0.142784 0.635538 0.574567 Fe\n0.966024 0.033976 0.250000 P\n0.033976 0.966024 0.750000 P\n0.542814 0.746420 0.245490 P\n0.253580 0.457186 0.254510 P\n0.746420 0.542814 0.745490 P\n0.457186 0.253580 0.754510 P\n0.865746 0.994464 0.926666 O\n0.693478 0.376407 0.911995 O\n0.948442 0.218114 0.253761 O\n0.468165 0.196474 0.947671 O\n0.994464 0.865746 0.426666 O\n0.781886 0.051558 0.246239 O\n0.732308 0.585217 0.239382 O\n0.565174 0.903740 0.262215 O\n0.414783 0.267692 0.260618 O\n0.803526 0.531835 0.552329 O\n0.903740 0.565174 0.762215 O\n0.623593 0.306522 0.588005 O\n0.376407 0.693478 0.411995 O\n0.096260 0.434826 0.237785 O\n0.196474 0.468165 0.447671 O\n0.585217 0.732308 0.739382 O\n0.434826 0.096260 0.737785 O\n0.267692 0.414783 0.760618 O\n0.218114 0.948442 0.753761 O\n0.005536 0.134254 0.573334 O\n0.531835 0.803526 0.052329 O\n0.051558 0.781886 0.746239 O\n0.306522 0.623593 0.088005 O\n0.134254 0.005536 0.073334 O\n","nsites":38,"nelements":4,"elements":["Li","Fe","P","O"],"chemical_system":"Fe-Li-O-P","density":2.879665333561312,"density_atomic":0.08026904223531676,"volume":473.4079159509488,"volume_molar":7.502445017775954,"formula_full":"Li4 Fe4 P6 O24","formula_reduced":"Li2Fe2(PO4)3","formula_anonymous":"A2B2C3D12","energy":-283.30561561,"energy_per_atom":-7.455410937105263,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-257.79361561,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":true,"total_magnetization":22.0001939,"is_theoretical":true,"updated_at":"2021-11-28T01:37:03.436000Z","spacegroup":15},{"id":"mp-1235953","created_at":"2022-09-04T14:45:28.166754Z","structure_string":"K2 Li1 Nb2 P2 C2 O14\n1.0\n10.519965 0.204456 -0.018358\n0.144258 6.605341 0.006942\n0.235784 0.006047 5.277654\nK Li Nb P C O\n2 1 2 2 2 14\ndirect\n0.225603 0.400190 0.253050 K\n0.775091 0.905371 0.755064 K\n0.091674 0.897046 0.264643 Li\n0.360325 0.793122 0.794255 Nb\n0.659429 0.279945 0.219982 Nb\n0.441115 0.283731 0.721712 P\n0.573691 0.779474 0.294206 P\n0.115082 0.775331 0.705944 C\n0.900367 0.212943 0.267359 C\n0.017168 0.166311 0.290345 O\n0.156527 0.781471 0.939019 O\n0.209444 0.784562 0.526744 O\n0.351233 0.104847 0.776789 O\n0.356114 0.477181 0.789407 O\n0.455066 0.784643 0.133408 O\n0.480132 0.288511 0.436481 O\n0.537755 0.781719 0.580008 O\n0.558100 0.267091 0.886374 O\n0.658921 0.961470 0.232402 O\n0.659625 0.585827 0.229547 O\n0.817509 0.239402 0.461808 O\n0.847259 0.235382 0.046522 O\n0.002770 0.762214 0.644931 O\n","nsites":23,"nelements":6,"elements":["K","Li","Nb","P","C","O"],"chemical_system":"C-K-Li-Nb-O-P","density":2.6312299838509308,"density_atomic":0.06273761929095673,"volume":366.60619672757207,"volume_molar":9.598930957311698,"formula_full":"K2 Li1 Nb2 P2 C2 O14","formula_reduced":"K2LiNb2P2(CO7)2","formula_anonymous":"AB2C2D2E2F14","energy":-178.55953832999998,"energy_per_atom":-7.763458188260869,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-168.94153833,"band_gap":0.0291000000000001,"is_gap_direct":false,"is_magnetic":true,"total_magnetization":3.0055795,"is_theoretical":true,"updated_at":"2021-11-28T01:37:01.168000Z","spacegroup":1},{"id":"mp-567156","created_at":"2022-09-04T14:45:28.169781Z","structure_string":"Pr4 Al32 Co8\n1.0\n4.008791 0.000000 0.000000\n0.000000 12.498321 0.000000\n0.000000 0.000000 14.395262\nPr Al Co\n4 32 8\ndirect\n0.000000 0.659458 0.681510 Pr\n0.000000 0.159458 0.818490 Pr\n0.000000 0.340542 0.318490 Pr\n0.000000 0.840542 0.181510 Pr\n0.500000 0.168882 0.991877 Al\n0.000000 0.596402 0.247306 Al\n0.500000 0.763636 0.828257 Al\n0.500000 0.831118 0.008123 Al\n0.500000 0.546886 0.820824 Al\n0.000000 0.000000 0.000000 Al\n0.500000 0.973653 0.868259 Al\n0.500000 0.453114 0.179176 Al\n0.500000 0.840952 0.620344 Al\n0.500000 0.736364 0.328257 Al\n0.500000 0.953114 0.320824 Al\n0.500000 0.026347 0.131741 Al\n0.500000 0.236364 0.171743 Al\n0.500000 0.668882 0.508123 Al\n0.000000 0.403598 0.752694 Al\n0.000000 0.096402 0.252694 Al\n0.500000 0.526347 0.368259 Al\n0.500000 0.159048 0.379656 Al\n0.500000 0.659048 0.120344 Al\n0.500000 0.263636 0.671743 Al\n0.500000 0.046886 0.679176 Al\n0.500000 0.331118 0.491877 Al\n0.000000 0.159758 0.544284 Al\n0.000000 0.500000 0.500000 Al\n0.000000 0.903598 0.747306 Al\n0.000000 0.840242 0.455716 Al\n0.500000 0.340952 0.879656 Al\n0.500000 0.000000 0.500000 Al\n0.500000 0.473653 0.631741 Al\n0.000000 0.659758 0.955716 Al\n0.500000 0.500000 0.000000 Al\n0.000000 0.340242 0.044284 Al\n0.000000 0.965470 0.594152 Co\n0.000000 0.465470 0.905848 Co\n0.000000 0.034530 0.405848 Co\n0.000000 0.152042 0.096118 Co\n0.000000 0.534530 0.094152 Co\n0.000000 0.847958 0.903882 Co\n0.000000 0.347958 0.596118 Co\n0.000000 0.652042 0.403882 Co\n","nsites":44,"nelements":3,"elements":["Pr","Al","Co"],"chemical_system":"Al-Co-Pr","density":4.3709543435166,"density_atomic":0.06100536269556458,"volume":721.2480682980848,"volume_molar":9.871494068566273,"formula_full":"Pr4 Al32 Co8","formula_reduced":"Pr(Al4Co)2","formula_anonymous":"AB2C8","energy":-216.32657482,"energy_per_atom":-4.916513064090909,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-216.32657482,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":5.53e-05,"is_theoretical":false,"updated_at":"2021-11-28T01:36:55.137000Z","spacegroup":55},{"id":"mp-1234620","created_at":"2022-09-04T14:45:28.179023Z","structure_string":"Mg1 Fe10 O16 F4\n1.0\n-4.906562 -0.048882 -0.014582\n0.073168 9.343616 -8.894833\n-0.057924 -4.711113 -3.006506\nMg Fe O F\n1 10 16 4\ndirect\n0.988268 0.297470 0.102295 Mg\n0.514237 0.987927 0.490766 Fe\n0.468801 0.414666 0.286514 Fe\n0.484765 0.197535 0.889107 Fe\n0.505166 0.610264 0.682327 Fe\n0.528066 0.800528 0.084645 Fe\n0.946815 0.405475 0.742688 Fe\n0.004928 0.803349 0.603896 Fe\n0.035911 0.180586 0.452332 Fe\n0.971685 0.593790 0.205646 Fe\n0.032958 0.995451 0.015686 Fe\n0.833099 0.253806 0.753659 O\n0.836095 0.863894 0.924276 O\n0.814434 0.667447 0.515268 O\n0.839548 0.047412 0.329820 O\n0.822931 0.447055 0.106393 O\n0.656139 0.468844 0.605845 O\n0.674492 0.658673 0.007572 O\n0.686845 0.851654 0.412324 O\n0.328134 0.339174 0.965389 O\n0.326707 0.743488 0.778354 O\n0.350180 0.127512 0.573628 O\n0.337968 0.931728 0.172648 O\n0.296326 0.552011 0.381882 O\n0.165285 0.143509 0.086290 O\n0.196524 0.941357 0.687838 O\n0.146032 0.333500 0.444574 O\n0.691580 0.055618 0.835983 F\n0.653445 0.253131 0.238902 F\n0.165924 0.543001 0.868816 F\n0.182826 0.740146 0.266543 F\n","nsites":31,"nelements":4,"elements":["Mg","Fe","O","F"],"chemical_system":"F-Fe-Mg-O","density":4.4232716386598065,"density_atomic":0.09027323487791315,"volume":343.40189583241204,"volume_molar":6.671014690173042,"formula_full":"Mg1 Fe10 O16 F4","formula_reduced":"MgFe10(O4F)4","formula_anonymous":"AB4C10D16","energy":-225.81945931,"energy_per_atom":-7.284498687419355,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-190.41945931,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":true,"total_magnetization":45.9999996,"is_theoretical":true,"updated_at":"2021-11-28T01:36:58.893000Z","spacegroup":1},{"id":"mp-1216852","created_at":"2022-09-04T14:45:28.180813Z","structure_string":"U1 Co10 Si2\n1.0\n0.000000 0.000000 4.833044\n-4.114894 4.114894 2.416522\n-4.000883 -4.000883 -2.416522\nU Co Si\n1 10 2\ndirect\n0.000000 0.000000 0.000000 U\n0.652982 0.348214 0.654179 Co\n0.347018 0.651786 0.345821 Co\n0.998804 0.348214 0.345821 Co\n0.001196 0.651786 0.654179 Co\n0.726529 0.771126 0.224183 Co\n0.273471 0.228874 0.775817 Co\n0.502346 0.771126 0.775817 Co\n0.497654 0.228874 0.224183 Co\n0.500000 0.000000 0.500000 Co\n0.000000 0.000000 0.500000 Co\n0.500000 0.500000 0.000000 Si\n0.000000 0.500000 0.000000 Si\n","nsites":13,"nelements":3,"elements":["U","Co","Si"],"chemical_system":"Co-Si-U","density":9.21947230501944,"density_atomic":0.08169173205006582,"volume":159.13483131968343,"volume_molar":7.371787338661463,"formula_full":"U1 Co10 Si2","formula_reduced":"U(Co5Si)2","formula_anonymous":"AB2C10","energy":-95.77232539,"energy_per_atom":-7.367101953076924,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-95.91432539,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":true,"total_magnetization":9.7507775,"is_theoretical":true,"updated_at":"2021-11-28T01:37:08.348000Z","spacegroup":69},{"id":"mp-1204746","created_at":"2022-09-04T14:45:28.166320Z","structure_string":"Rb6 P6 O20\n1.0\n7.794516 0.000000 0.000000\n0.840287 7.831767 0.000000\n3.756199 0.320010 9.604627\nRb P O\n6 6 20\ndirect\n0.274644 0.237005 0.002043 Rb\n0.725356 0.762995 0.997957 Rb\n0.209053 0.379031 0.616633 Rb\n0.790947 0.620969 0.383367 Rb\n0.743608 0.094447 0.654610 Rb\n0.256392 0.905553 0.345390 Rb\n0.498266 0.371406 0.255794 P\n0.501734 0.628594 0.744206 P\n0.761418 0.081905 0.267130 P\n0.238582 0.918095 0.732870 P\n0.792729 0.251519 0.995925 P\n0.207271 0.748481 0.004075 P\n0.948054 0.342565 0.895743 O\n0.051946 0.657435 0.104257 O\n0.627545 0.253523 0.329596 O\n0.372455 0.746477 0.670404 O\n0.874642 0.147871 0.108958 O\n0.125358 0.852129 0.891042 O\n0.346121 0.269736 0.255015 O\n0.653879 0.730264 0.744985 O\n0.348935 0.062609 0.732178 O\n0.651065 0.937391 0.267822 O\n0.895106 0.052472 0.343585 O\n0.104894 0.947528 0.656415 O\n0.686494 0.137659 0.949027 O\n0.313506 0.862341 0.050973 O\n0.646806 0.396736 0.097920 O\n0.353194 0.603264 0.902080 O\n0.542539 0.459124 0.677590 O\n0.457461 0.540876 0.322410 O\n0.013672 0.290881 0.408321 O\n0.986328 0.709119 0.591679 O\n","nsites":32,"nelements":3,"elements":["Rb","P","O"],"chemical_system":"O-P-Rb","density":2.8849566269312046,"density_atomic":0.054578370289374296,"volume":586.3128530649803,"volume_molar":11.03393290798284,"formula_full":"Rb6 P6 O20","formula_reduced":"Rb3P3O10","formula_anonymous":"A3B3C10","energy":-213.58936671,"energy_per_atom":-6.6746677096875,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-199.84936671,"band_gap":0.9204,"is_gap_direct":false,"is_magnetic":true,"total_magnetization":4.0015481,"is_theoretical":false,"updated_at":"2021-11-28T01:36:58.711000Z","spacegroup":2},{"id":"mp-1044704","created_at":"2022-09-04T14:45:28.175121Z","structure_string":"Ca2 Sn4 O8\n1.0\n6.068729 -3.356546 0.000000\n6.068729 3.356546 0.000000\n4.212261 0.000000 5.509331\nCa Sn O\n2 4 8\ndirect\n0.004212 0.004212 0.004212 Ca\n0.625219 0.625219 0.625219 Ca\n0.245361 0.245361 0.245361 Sn\n0.626018 0.626018 0.121776 Sn\n0.121776 0.626018 0.626018 Sn\n0.626018 0.121776 0.626018 Sn\n0.376953 0.826827 0.376953 O\n0.826827 0.376953 0.376953 O\n0.376953 0.376953 0.826827 O\n0.400170 0.400170 0.400170 O\n0.860558 0.860558 0.860558 O\n0.870087 0.870087 0.419760 O\n0.419760 0.870087 0.870087 O\n0.870087 0.419760 0.870087 O\n","nsites":14,"nelements":3,"elements":["Ca","Sn","O"],"chemical_system":"Ca-O-Sn","density":5.052949949831324,"density_atomic":0.06237475125051242,"volume":224.44979289412376,"volume_molar":9.654773188294723,"formula_full":"Ca2 Sn4 O8","formula_reduced":"Ca(SnO2)2","formula_anonymous":"AB2C4","energy":-90.20843574,"energy_per_atom":-6.443459695714286,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-84.71243574,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":1.43e-05,"is_theoretical":true,"updated_at":"2021-11-28T01:37:00.869000Z","spacegroup":160},{"id":"mp-23965","created_at":"2022-09-04T14:45:28.179513Z","structure_string":"Co2 H16 Br4 O8\n1.0\n7.595818 0.000000 0.000000\n0.000000 6.122387 0.000000\n0.000000 2.998740 8.116146\nCo H Br O\n2 16 4 8\ndirect\n0.000000 0.000000 0.000000 Co\n0.500000 0.000000 0.500000 Co\n0.701690 0.631179 0.496638 H\n0.201690 0.368821 0.003362 H\n0.298310 0.368821 0.503362 H\n0.798310 0.631179 0.996638 H\n0.682284 0.616527 0.679456 H\n0.182284 0.383473 0.820544 H\n0.317716 0.383473 0.320544 H\n0.817716 0.616527 0.179456 H\n0.571014 0.109312 0.167237 H\n0.071014 0.890688 0.332763 H\n0.428986 0.890688 0.832763 H\n0.928986 0.109312 0.667237 H\n0.431356 0.904000 0.214900 H\n0.931356 0.096000 0.285100 H\n0.068644 0.904000 0.714900 H\n0.568644 0.096000 0.785100 H\n0.230101 0.698714 0.575807 Br\n0.730101 0.301286 0.924193 Br\n0.269899 0.698714 0.075807 Br\n0.769899 0.301286 0.424193 Br\n0.683806 0.728460 0.565430 O\n0.183806 0.271540 0.934570 O\n0.316194 0.271540 0.434570 O\n0.816194 0.728460 0.065430 O\n0.497975 0.008353 0.258598 O\n0.997975 0.991647 0.241402 O\n0.502025 0.991647 0.741402 O\n0.002025 0.008353 0.758598 O\n","nsites":30,"nelements":4,"elements":["Co","H","Br","O"],"chemical_system":"Br-Co-H-O","density":2.5587730819631673,"density_atomic":0.07948333395045186,"volume":377.4376150187828,"volume_molar":7.576608152539335,"formula_full":"Co2 H16 Br4 O8","formula_reduced":"CoH8(BrO2)2","formula_anonymous":"AB2C4D8","energy":-148.36545769000003,"energy_per_atom":-4.945515256333334,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-137.45745769,"band_gap":2.1987,"is_gap_direct":false,"is_magnetic":true,"total_magnetization":2.0008433,"is_theoretical":false,"updated_at":"2021-11-28T01:37:01.469000Z","spacegroup":14},{"id":"mp-1228548","created_at":"2022-09-04T14:45:28.180960Z","structure_string":"Ba2 Ca1 Tb2 Ti3 Cu2 O14\n1.0\n3.905317 0.000000 0.000000\n0.000000 3.905317 0.000000\n0.000000 0.000000 19.879267\nBa Ca Tb Ti Cu O\n2 1 2 3 2 14\ndirect\n0.500000 0.500000 0.812911 Ba\n0.500000 0.500000 0.184340 Ba\n0.500000 0.500000 0.610967 Ca\n0.500000 0.500000 0.999427 Tb\n0.500000 0.500000 0.401127 Tb\n0.000000 0.000000 0.701352 Ti\n0.000000 0.000000 0.301077 Ti\n0.000000 0.000000 0.500757 Ti\n0.000000 0.000000 0.917827 Cu\n0.000000 0.000000 0.081235 Cu\n0.000000 0.500000 0.691346 O\n0.500000 0.000000 0.313319 O\n0.000000 0.500000 0.313319 O\n0.500000 0.000000 0.691346 O\n0.000000 0.500000 0.927416 O\n0.500000 0.000000 0.073114 O\n0.000000 0.500000 0.073114 O\n0.500000 0.000000 0.927416 O\n0.000000 0.000000 0.794822 O\n0.000000 0.000000 0.206608 O\n0.000000 0.000000 0.594840 O\n0.000000 0.000000 0.401519 O\n0.000000 0.500000 0.490401 O\n0.500000 0.000000 0.490401 O\n","nsites":24,"nelements":6,"elements":["Ba","Ca","Tb","Ti","Cu","O"],"chemical_system":"Ba-Ca-Cu-O-Tb-Ti","density":6.173949259102556,"density_atomic":0.07915863397352955,"volume":303.18865795518326,"volume_molar":7.607686562673364,"formula_full":"Ba2 Ca1 Tb2 Ti3 Cu2 O14","formula_reduced":"Ba2CaTb2Ti3(CuO7)2","formula_anonymous":"AB2C2D2E3F14","energy":-191.3358038,"energy_per_atom":-7.972325158333334,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-181.7178038,"band_gap":0.4236000000000004,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":0.0114824,"is_theoretical":true,"updated_at":"2021-11-28T01:37:01.342000Z","spacegroup":99},{"id":"mp-1519002","created_at":"2022-09-04T14:45:28.200041Z","structure_string":"Ca1 Eu1 Zr1 Nb1 O6\n1.0\n0.000000 -4.120379 -4.120379\n4.120379 0.000000 -4.120379\n4.120379 -4.120379 0.000000\nCa Eu Zr Nb O\n1 1 1 1 6\ndirect\n0.750000 0.750000 0.750000 Ca\n0.250000 0.250000 0.250000 Eu\n0.500000 0.500000 0.500000 Zr\n0.000000 -0.000000 0.000000 Nb\n0.754012 0.245988 0.245988 O\n0.245988 0.754012 0.754012 O\n0.754012 0.245988 0.754012 O\n0.245988 0.754012 0.245988 O\n0.754012 0.754012 0.245988 O\n0.245988 0.245988 0.754012 O\n","nsites":10,"nelements":5,"elements":["Ca","Eu","Zr","Nb","O"],"chemical_system":"Ca-Eu-Nb-O-Zr","density":5.604087073839216,"density_atomic":0.0714757151068291,"volume":139.90765933651437,"volume_molar":8.425436179266176,"formula_full":"Ca1 Eu1 Zr1 Nb1 O6","formula_reduced":"CaEuZrNbO6","formula_anonymous":"ABCDE6","energy":-93.47163461,"energy_per_atom":-9.347163461,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-89.34963460999998,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":true,"total_magnetization":6.7208012,"is_theoretical":true,"updated_at":"2021-11-28T01:37:08.182000Z","spacegroup":216},{"id":"mp-1214237","created_at":"2022-09-04T14:45:28.250256Z","structure_string":"C8 I16\n1.0\n0.000000 -5.042429 0.000000\n-14.800541 0.000000 5.019504\n0.064632 0.000000 -13.363630\nC I\n8 16\ndirect\n0.976047 0.543668 0.505543 C\n0.023953 0.456332 0.494457 C\n0.476047 0.456332 0.994457 C\n0.523953 0.543668 0.005543 C\n0.983814 0.955974 0.971936 C\n0.016186 0.044026 0.028064 C\n0.483814 0.044026 0.528064 C\n0.516186 0.955974 0.471936 C\n0.788288 0.910756 0.825189 I\n0.211712 0.089244 0.174811 I\n0.288288 0.089244 0.674811 I\n0.711712 0.910756 0.325189 I\n0.377509 0.850519 0.524082 I\n0.622491 0.149481 0.475918 I\n0.877509 0.149481 0.975918 I\n0.122491 0.850519 0.024082 I\n0.715280 0.586020 0.890582 I\n0.284720 0.413980 0.109418 I\n0.215280 0.413980 0.609418 I\n0.784720 0.586020 0.390582 I\n0.588785 0.348782 0.858553 I\n0.411215 0.651218 0.141447 I\n0.088785 0.651218 0.641447 I\n0.911215 0.348782 0.358553 I\n","nsites":24,"nelements":2,"elements":["C","I"],"chemical_system":"C-I","density":3.5464778793664253,"density_atomic":0.024103624170680057,"volume":995.7008883831625,"volume_molar":24.98437876958522,"formula_full":"C8 I16","formula_reduced":"CI2","formula_anonymous":"AB2","energy":-91.26728856,"energy_per_atom":-3.8028036899999997,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-85.20328856,"band_gap":2.575,"is_gap_direct":true,"is_magnetic":false,"total_magnetization":0.004172,"is_theoretical":true,"updated_at":"2021-11-28T01:36:56.573000Z","spacegroup":14},{"id":"mp-1201682","created_at":"2022-09-04T14:45:26.518084Z","structure_string":"Sc12 Fe12 Ge24\n1.0\n8.046818 0.000000 0.000000\n0.000000 9.254857 0.000000\n0.000000 0.000000 10.048854\nSc Fe Ge\n12 12 24\ndirect\n0.740748 0.827868 0.046906 Sc\n0.740748 0.172132 0.953094 Sc\n0.259252 0.672132 0.546906 Sc\n0.259252 0.327868 0.453094 Sc\n0.259252 0.172132 0.953094 Sc\n0.259252 0.827868 0.046906 Sc\n0.740748 0.327868 0.453094 Sc\n0.740748 0.672132 0.546906 Sc\n0.500000 0.835649 0.322108 Sc\n0.500000 0.164351 0.677892 Sc\n0.500000 0.664351 0.822108 Sc\n0.500000 0.335649 0.177892 Sc\n0.750672 0.585344 0.249520 Fe\n0.750672 0.414656 0.750480 Fe\n0.249328 0.914656 0.749520 Fe\n0.249328 0.085344 0.250480 Fe\n0.249328 0.414656 0.750480 Fe\n0.249328 0.585344 0.249520 Fe\n0.750672 0.085344 0.250480 Fe\n0.750672 0.914656 0.749520 Fe\n0.745276 0.000000 0.500000 Fe\n0.254724 0.500000 0.000000 Fe\n0.254724 0.000000 0.500000 Fe\n0.745276 0.500000 0.000000 Fe\n0.842347 0.836730 0.318949 Ge\n0.842347 0.163270 0.681051 Ge\n0.157653 0.663270 0.818949 Ge\n0.157653 0.336730 0.181051 Ge\n0.157653 0.163270 0.681051 Ge\n0.157653 0.836730 0.318949 Ge\n0.842347 0.336730 0.181051 Ge\n0.842347 0.663270 0.818949 Ge\n0.500000 0.541260 0.376244 Ge\n0.500000 0.458740 0.623756 Ge\n0.500000 0.958740 0.876244 Ge\n0.500000 0.041260 0.123756 Ge\n0.000000 0.542456 0.373881 Ge\n0.000000 0.457544 0.626119 Ge\n0.000000 0.957544 0.873881 Ge\n0.000000 0.042456 0.126119 Ge\n0.500000 0.630344 0.101508 Ge\n0.500000 0.369656 0.898492 Ge\n0.500000 0.869656 0.601508 Ge\n0.500000 0.130344 0.398492 Ge\n0.000000 0.626185 0.094192 Ge\n0.000000 0.373815 0.905808 Ge\n0.000000 0.873815 0.594192 Ge\n0.000000 0.126185 0.405808 Ge\n","nsites":48,"nelements":3,"elements":["Sc","Fe","Ge"],"chemical_system":"Fe-Ge-Sc","density":6.552361401857576,"density_atomic":0.06414027380719968,"volume":748.3597613612316,"volume_molar":9.389016295911135,"formula_full":"Sc12 Fe12 Ge24","formula_reduced":"ScFeGe2","formula_anonymous":"ABC2","energy":-314.27929574,"energy_per_atom":-6.547485327916667,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-314.27929574,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":true,"total_magnetization":11.8420042,"is_theoretical":false,"updated_at":"2021-11-28T01:37:06.810000Z","spacegroup":55}]}