{"count":146323,"next":"https://simmate.org/third-parties/MatprojStructure/?format=json&ordering=-band_gap&page=10264","previous":"https://simmate.org/third-parties/MatprojStructure/?format=json&ordering=-band_gap&page=10262","results":[{"id":"mp-30174","created_at":"2022-09-04T14:44:19.358676Z","structure_string":"Ca4 Al51 Cr7\n1.0\n5.112256 -8.854687 0.000000\n5.112256 8.854687 0.000000\n0.000000 0.000000 11.477399\nCa Al Cr\n4 51 7\ndirect\n0.333333 0.666667 0.584792 Ca\n0.333333 0.666667 0.903478 Ca\n0.666667 0.333333 0.415208 Ca\n0.666667 0.333333 0.096522 Ca\n0.577875 0.422125 0.652494 Al\n0.577875 0.155750 0.652494 Al\n0.844250 0.422125 0.652494 Al\n0.091109 0.908891 0.170876 Al\n0.091109 0.182218 0.170876 Al\n0.817782 0.908891 0.170876 Al\n0.845648 0.154352 0.043770 Al\n0.845648 0.691297 0.043770 Al\n0.308703 0.154352 0.043770 Al\n0.242630 0.757370 0.143725 Al\n0.242630 0.485259 0.143725 Al\n0.514741 0.757370 0.143725 Al\n0.091798 0.908202 0.604762 Al\n0.091798 0.183595 0.604762 Al\n0.816405 0.908202 0.604762 Al\n0.154352 0.845648 0.956230 Al\n0.154352 0.308703 0.956230 Al\n0.691297 0.845648 0.956230 Al\n0.757370 0.242630 0.856275 Al\n0.757370 0.514741 0.856275 Al\n0.485259 0.242630 0.856275 Al\n0.422125 0.577875 0.347506 Al\n0.422125 0.844250 0.347506 Al\n0.155750 0.577875 0.347506 Al\n0.500000 0.500000 0.000000 Al\n0.500000 0.000000 0.000000 Al\n0.000000 0.500000 0.000000 Al\n0.908891 0.091109 0.829124 Al\n0.908891 0.817782 0.829124 Al\n0.182218 0.091109 0.829124 Al\n0.908202 0.091798 0.395238 Al\n0.908202 0.816405 0.395238 Al\n0.183595 0.091798 0.395238 Al\n0.640887 0.000000 0.500000 Al\n0.000000 0.640887 0.500000 Al\n0.359113 0.359113 0.500000 Al\n0.359113 0.000000 0.500000 Al\n0.640887 0.640887 0.500000 Al\n0.000000 0.359113 0.500000 Al\n0.330033 0.397794 0.753950 Al\n0.602206 0.932239 0.753950 Al\n0.067761 0.669967 0.753950 Al\n0.067761 0.397794 0.753950 Al\n0.330033 0.932239 0.753950 Al\n0.602206 0.669967 0.753950 Al\n0.932239 0.330033 0.246050 Al\n0.669967 0.602206 0.246050 Al\n0.397794 0.067761 0.246050 Al\n0.397794 0.330033 0.246050 Al\n0.932239 0.602206 0.246050 Al\n0.669967 0.067761 0.246050 Al\n0.000000 0.000000 0.000000 Cr\n0.169010 0.830990 0.343280 Cr\n0.169010 0.338021 0.343280 Cr\n0.661979 0.830990 0.343280 Cr\n0.830990 0.169010 0.656720 Cr\n0.830990 0.661979 0.656720 Cr\n0.338021 0.169010 0.656720 Cr\n","nsites":62,"nelements":3,"elements":["Ca","Al","Cr"],"chemical_system":"Al-Ca-Cr","density":3.036839563015841,"density_atomic":0.05966675327889912,"volume":1039.1046368853795,"volume_molar":10.09295868982652,"formula_full":"Ca4 Al51 Cr7","formula_reduced":"Ca4Al51Cr7","formula_anonymous":"A4B7C51","energy":-276.98768953,"energy_per_atom":-4.467543379516129,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-276.98768953,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":true,"total_magnetization":0.3184763,"is_theoretical":true,"updated_at":"2021-11-28T01:36:30.205000Z","spacegroup":164},{"id":"mp-21312","created_at":"2022-09-04T14:44:19.387615Z","structure_string":"Ca1 Ni12 B6\n1.0\n3.691963 -4.755572 0.000000\n3.691963 4.755572 0.000000\n-2.433632 0.000000 5.506678\nCa Ni B\n1 12 6\ndirect\n0.000000 0.000000 0.000000 Ca\n0.500000 0.869380 0.130620 Ni\n0.456370 0.456370 0.186630 Ni\n0.186630 0.456370 0.456370 Ni\n0.543630 0.813370 0.543630 Ni\n0.813370 0.543630 0.543630 Ni\n0.543630 0.543630 0.813370 Ni\n0.130620 0.500000 0.869380 Ni\n0.869380 0.130620 0.500000 Ni\n0.500000 0.130620 0.869380 Ni\n0.869380 0.500000 0.130620 Ni\n0.130620 0.869380 0.500000 Ni\n0.456370 0.186630 0.456370 Ni\n0.764545 0.764545 0.334812 B\n0.334812 0.764545 0.764545 B\n0.764545 0.334812 0.764545 B\n0.665188 0.235455 0.235455 B\n0.235455 0.235455 0.665188 B\n0.235455 0.665188 0.235455 B\n","nsites":19,"nelements":3,"elements":["Ca","Ni","B"],"chemical_system":"B-Ca-Ni","density":6.9496025684116685,"density_atomic":0.09825933529327063,"volume":193.3658511254068,"volume_molar":6.128823019233707,"formula_full":"Ca1 Ni12 B6","formula_reduced":"Ca(Ni2B)6","formula_anonymous":"AB6C12","energy":-118.16803932,"energy_per_atom":-6.219370490526316,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-118.16803932,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":0.0070786,"is_theoretical":false,"updated_at":"2021-11-28T01:36:32.146000Z","spacegroup":166},{"id":"mp-1225655","created_at":"2022-09-04T14:44:21.130464Z","structure_string":"Er2 Fe1 Ge4\n1.0\n0.000000 0.000000 4.133398\n4.164845 0.000000 0.000000\n2.082423 7.755385 0.000000\nEr Fe Ge\n2 1 4\ndirect\n0.250000 0.897306 0.205388 Er\n0.750000 0.102949 0.794101 Er\n0.250000 0.694109 0.611782 Fe\n0.250000 0.546779 0.906441 Ge\n0.750000 0.436672 0.126656 Ge\n0.250000 0.260597 0.478806 Ge\n0.750000 0.758587 0.482826 Ge\n","nsites":7,"nelements":3,"elements":["Er","Fe","Ge"],"chemical_system":"Er-Fe-Ge","density":8.46910799365467,"density_atomic":0.05243105656137098,"volume":133.50865801848647,"volume_molar":11.48582758951469,"formula_full":"Er2 Fe1 Ge4","formula_reduced":"Er2FeGe4","formula_anonymous":"AB2C4","energy":-40.03615842,"energy_per_atom":-5.719451202857143,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-40.03615842,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":true,"total_magnetization":0.1823645,"is_theoretical":true,"updated_at":"2021-11-28T01:36:34.857000Z","spacegroup":38},{"id":"mp-676713","created_at":"2022-09-04T14:44:19.320713Z","structure_string":"Hf8 Pb1 O24\n1.0\n4.135348 8.275369 0.000000\n-4.135348 8.275369 0.000000\n0.000000 4.102825 8.279689\nHf Pb O\n8 1 24\ndirect\n0.818395 0.309180 0.754158 Hf\n0.690820 0.181605 0.245842 Hf\n0.309180 0.818395 0.754158 Hf\n0.054861 0.563519 0.753954 Hf\n0.181605 0.690820 0.245842 Hf\n0.945139 0.436481 0.246046 Hf\n0.563519 0.054861 0.753954 Hf\n0.436481 0.945139 0.246046 Hf\n0.500000 0.500000 0.500000 Pb\n0.748191 0.251809 0.000000 O\n0.678083 0.203168 0.737257 O\n0.796832 0.321917 0.262743 O\n0.559150 0.559150 0.737073 O\n0.321862 0.321862 0.738191 O\n0.440850 0.440850 0.262927 O\n0.186011 0.186011 0.252240 O\n0.251809 0.748191 0.000000 O\n0.203168 0.678083 0.737257 O\n0.000000 0.500000 0.000000 O\n0.143781 0.619354 0.499912 O\n0.321917 0.796832 0.262743 O\n0.938173 0.438079 0.747484 O\n0.856219 0.380646 0.500088 O\n0.061827 0.561921 0.252516 O\n0.813989 0.813989 0.747760 O\n0.938122 0.938122 0.251246 O\n0.678138 0.678138 0.261809 O\n0.061878 0.061878 0.748754 O\n0.500000 0.000000 0.000000 O\n0.438079 0.938173 0.747484 O\n0.561921 0.061827 0.252516 O\n0.380646 0.856219 0.500088 O\n0.619354 0.143781 0.499912 O\n","nsites":33,"nelements":3,"elements":["Hf","Pb","O"],"chemical_system":"Hf-O-Pb","density":5.916497432027376,"density_atomic":0.05823317768457933,"volume":566.6872616628424,"volume_molar":10.34142562615936,"formula_full":"Hf8 Pb1 O24","formula_reduced":"Hf8PbO24","formula_anonymous":"AB8C24","energy":-288.38091689,"energy_per_atom":-8.738815663333332,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-271.89291689,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":true,"total_magnetization":13.998492,"is_theoretical":true,"updated_at":"2021-11-28T01:36:36.831000Z","spacegroup":12},{"id":"mp-730487","created_at":"2022-09-04T14:44:19.330391Z","structure_string":"Ce1 Mo12 N2 O54\n1.0\n8.275991 -6.524341 0.000000\n8.275991 6.524341 0.000000\n3.132555 0.000000 10.062115\nCe Mo N O\n1 12 2 54\ndirect\n0.000000 0.000000 0.000000 Ce\n0.069881 0.148797 0.655539 Mo\n0.655539 0.069881 0.148797 Mo\n0.148797 0.655539 0.069881 Mo\n0.930119 0.851203 0.344461 Mo\n0.344461 0.930119 0.851203 Mo\n0.851203 0.344461 0.930119 Mo\n0.063711 0.832524 0.719484 Mo\n0.719484 0.063711 0.832524 Mo\n0.832524 0.719484 0.063711 Mo\n0.936289 0.167476 0.280516 Mo\n0.280516 0.936289 0.167476 Mo\n0.167476 0.280516 0.936289 Mo\n0.638175 0.638175 0.638175 N\n0.361825 0.361825 0.361825 N\n0.209928 0.214871 0.573862 O\n0.573862 0.209928 0.214871 O\n0.214871 0.573862 0.209928 O\n0.790072 0.785129 0.426138 O\n0.426138 0.790072 0.785129 O\n0.785129 0.426138 0.790072 O\n0.172711 0.969663 0.792132 O\n0.792132 0.172711 0.969663 O\n0.969663 0.792132 0.172711 O\n0.827289 0.030337 0.207868 O\n0.207868 0.827289 0.030337 O\n0.030337 0.207868 0.827289 O\n0.939007 0.255091 0.581829 O\n0.581829 0.939007 0.255091 O\n0.255091 0.581829 0.939007 O\n0.060993 0.744909 0.418171 O\n0.418171 0.060993 0.744909 O\n0.744909 0.418171 0.060993 O\n0.913364 0.024562 0.787513 O\n0.787513 0.913364 0.024562 O\n0.024562 0.787513 0.913364 O\n0.086636 0.975438 0.212487 O\n0.212487 0.086636 0.975438 O\n0.975438 0.212487 0.086636 O\n0.092441 0.991276 0.579996 O\n0.579996 0.092441 0.991276 O\n0.991276 0.579996 0.092441 O\n0.907559 0.008724 0.420004 O\n0.420004 0.907559 0.008724 O\n0.008724 0.420004 0.907559 O\n0.206044 0.720302 0.670486 O\n0.670486 0.206044 0.720302 O\n0.720302 0.670486 0.206044 O\n0.793956 0.279698 0.329514 O\n0.329514 0.793956 0.279698 O\n0.279698 0.329514 0.793956 O\n0.939633 0.777054 0.676532 O\n0.676532 0.939633 0.777054 O\n0.777054 0.676532 0.939633 O\n0.060367 0.222946 0.323468 O\n0.323468 0.060367 0.222946 O\n0.222946 0.323468 0.060367 O\n0.486188 0.887737 0.463699 O\n0.463699 0.486188 0.887737 O\n0.887737 0.463699 0.486188 O\n0.513812 0.112263 0.536301 O\n0.536301 0.513812 0.112263 O\n0.112263 0.536301 0.513812 O\n0.490376 0.499326 0.769368 O\n0.769368 0.490376 0.499326 O\n0.499326 0.769368 0.490376 O\n0.509624 0.500674 0.230632 O\n0.230632 0.509624 0.500674 O\n0.500674 0.230632 0.509624 O\n","nsites":69,"nelements":4,"elements":["Ce","Mo","N","O"],"chemical_system":"Ce-Mo-N-O","density":3.336582709269616,"density_atomic":0.0634999169190106,"volume":1086.6155949149406,"volume_molar":9.483698644331758,"formula_full":"Ce1 Mo12 N2 O54","formula_reduced":"CeMo12(NO27)2","formula_anonymous":"AB2C12D54","energy":-478.97073415,"energy_per_atom":-6.941604842753623,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-431.85273415,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":true,"total_magnetization":2.8665086,"is_theoretical":true,"updated_at":"2021-11-28T01:36:37.042000Z","spacegroup":148},{"id":"mp-1099682","created_at":"2022-09-04T14:44:15.785570Z","structure_string":"Ba4 Sr28 Ti32 O80\n1.0\n-0.011455 0.011024 11.314798\n11.283031 -0.007520 -0.011503\n-5.644471 15.839322 -5.636832\nBa Sr Ti O\n4 28 32 80\ndirect\n0.308179 0.060962 0.122202 Ba\n0.307212 0.562850 0.122015 Ba\n0.808145 0.062830 0.121440 Ba\n0.058013 0.809144 0.121682 Ba\n0.304643 0.057613 0.612563 Sr\n0.305662 0.562558 0.615014 Sr\n0.804679 0.062521 0.614546 Sr\n0.805819 0.556411 0.113497 Sr\n0.805644 0.560898 0.614883 Sr\n0.191366 0.440922 0.385389 Sr\n0.191830 0.441634 0.886025 Sr\n0.189992 0.938123 0.382639 Sr\n0.189970 0.938298 0.884378 Sr\n0.690468 0.442402 0.384652 Sr\n0.689441 0.438190 0.883012 Sr\n0.689548 0.938766 0.382881 Sr\n0.689825 0.938936 0.884548 Sr\n0.054238 0.306392 0.114165 Sr\n0.055765 0.304718 0.613593 Sr\n0.056281 0.803711 0.616145 Sr\n0.555791 0.308354 0.114565 Sr\n0.556996 0.303087 0.614202 Sr\n0.556400 0.804155 0.116269 Sr\n0.555894 0.803189 0.614771 Sr\n0.438289 0.190533 0.384378 Sr\n0.441090 0.194729 0.884930 Sr\n0.440280 0.695216 0.384571 Sr\n0.440478 0.696901 0.884036 Sr\n0.941896 0.196375 0.384396 Sr\n0.939084 0.195602 0.882861 Sr\n0.942319 0.695236 0.387516 Sr\n0.941534 0.696650 0.885189 Sr\n0.996484 0.000083 0.997628 Ti\n0.997901 0.999477 0.499439 Ti\n0.995963 0.498013 0.997745 Ti\n0.998739 0.500614 0.500887 Ti\n0.496628 0.999901 0.998449 Ti\n0.498288 0.998866 0.499437 Ti\n0.498257 0.499920 0.998886 Ti\n0.498758 0.498759 0.500160 Ti\n0.247435 0.249367 0.998543 Ti\n0.248100 0.249931 0.499442 Ti\n0.248447 0.750256 0.998813 Ti\n0.248353 0.749914 0.500159 Ti\n0.746927 0.250207 0.998311 Ti\n0.749118 0.250699 0.499468 Ti\n0.745896 0.748040 0.997896 Ti\n0.749248 0.750963 0.500504 Ti\n0.118786 0.115845 0.252629 Ti\n0.114369 0.109579 0.749100 Ti\n0.119380 0.611707 0.251628 Ti\n0.113320 0.611112 0.749748 Ti\n0.624286 0.112062 0.252197 Ti\n0.617444 0.110154 0.748794 Ti\n0.620279 0.612238 0.251676 Ti\n0.612446 0.612910 0.749040 Ti\n0.369613 0.388043 0.252104 Ti\n0.365065 0.389325 0.749005 Ti\n0.373228 0.887959 0.253306 Ti\n0.366513 0.889394 0.749448 Ti\n0.869867 0.393494 0.251487 Ti\n0.861949 0.388992 0.749119 Ti\n0.869748 0.882534 0.251666 Ti\n0.866449 0.887299 0.749238 Ti\n0.118273 0.120662 0.491236 O\n0.118793 0.122712 0.992658 O\n0.120711 0.622843 0.495557 O\n0.119510 0.620889 0.993037 O\n0.619223 0.121987 0.491837 O\n0.618983 0.123839 0.994228 O\n0.618354 0.620648 0.490984 O\n0.619067 0.620477 0.992726 O\n0.121167 0.373771 0.001585 O\n0.126944 0.379045 0.507647 O\n0.122922 0.875803 0.000785 O\n0.126370 0.878289 0.506164 O\n0.623813 0.376974 0.003241 O\n0.626704 0.378096 0.505863 O\n0.621627 0.874596 0.003517 O\n0.627021 0.878384 0.506565 O\n0.368874 0.120785 0.492836 O\n0.369832 0.123140 0.992770 O\n0.370211 0.621204 0.494295 O\n0.371888 0.623084 0.993832 O\n0.869968 0.121753 0.493411 O\n0.869622 0.124274 0.992729 O\n0.870316 0.622326 0.495224 O\n0.867209 0.619731 0.991847 O\n0.375653 0.375660 0.002881 O\n0.377867 0.378588 0.509442 O\n0.374973 0.875859 0.002121 O\n0.376617 0.877145 0.506745 O\n0.871751 0.375842 0.000654 O\n0.877581 0.378608 0.507271 O\n0.871616 0.875958 0.000982 O\n0.878760 0.879580 0.510362 O\n0.062346 0.080559 0.130746 O\n0.065718 0.084593 0.630018 O\n0.054851 0.568078 0.128368 O\n0.062632 0.580277 0.629432 O\n0.562100 0.081870 0.131428 O\n0.561091 0.081012 0.628440 O\n0.567911 0.576582 0.130397 O\n0.564878 0.581205 0.628885 O\n0.428824 0.413621 0.371142 O\n0.431284 0.418938 0.868428 O\n0.433800 0.917945 0.373273 O\n0.432549 0.923630 0.870022 O\n0.933285 0.423821 0.372067 O\n0.932458 0.421329 0.868573 O\n0.929512 0.914136 0.371872 O\n0.930300 0.922562 0.869214 O\n0.312790 0.305593 0.129995 O\n0.310305 0.294035 0.630012 O\n0.316411 0.808727 0.130138 O\n0.310686 0.799433 0.629105 O\n0.813106 0.311104 0.128707 O\n0.811868 0.299196 0.628475 O\n0.809667 0.796492 0.130015 O\n0.808239 0.796509 0.629188 O\n0.184430 0.207783 0.372793 O\n0.182016 0.200554 0.867995 O\n0.182075 0.698664 0.372411 O\n0.183123 0.697283 0.869675 O\n0.688736 0.207229 0.370583 O\n0.677941 0.198628 0.868891 O\n0.690962 0.702967 0.371492 O\n0.679812 0.697919 0.868888 O\n0.499798 0.007215 0.258538 O\n0.471024 0.020625 0.747543 O\n0.490684 0.510587 0.257876 O\n0.472840 0.516808 0.747197 O\n0.997779 0.003003 0.257132 O\n0.972745 0.016281 0.747187 O\n0.974715 0.524856 0.253335 O\n0.972531 0.519003 0.748415 O\n0.232715 0.490381 0.252564 O\n0.223002 0.479229 0.748571 O\n0.249193 0.005316 0.257897 O\n0.222257 0.980349 0.749109 O\n0.723968 0.472775 0.251226 O\n0.722788 0.479598 0.748307 O\n0.741865 0.992936 0.251864 O\n0.722114 0.980643 0.748633 O\n","nsites":144,"nelements":4,"elements":["Ba","Sr","Ti","O"],"chemical_system":"Ba-O-Sr-Ti","density":4.774139524695182,"density_atomic":0.0712043104614063,"volume":2022.349476694251,"volume_molar":8.457550843447999,"formula_full":"Ba4 Sr28 Ti32 O80","formula_reduced":"BaSr7Ti8O20","formula_anonymous":"AB7C8D20","energy":-1172.42859139,"energy_per_atom":-8.141865217986112,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-1117.46859139,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":true,"total_magnetization":6.3342767,"is_theoretical":true,"updated_at":"2021-11-28T01:36:33.671000Z","spacegroup":1},{"id":"mp-1216972","created_at":"2022-09-04T14:44:19.410721Z","structure_string":"Ti2 Cr2 Cu2 S8\n1.0\n-3.484042 3.559384 4.967008\n3.484042 -3.559384 4.967008\n3.484042 3.559384 -4.967008\nTi Cr Cu S\n2 2 2 8\ndirect\n0.000000 0.500000 0.000000 Ti\n0.000000 0.000000 0.500000 Ti\n0.500000 0.500000 0.000000 Cr\n0.000000 0.500000 0.500000 Cr\n0.624467 0.874467 0.750000 Cu\n0.375533 0.125533 0.250000 Cu\n0.232705 0.742910 0.489795 S\n0.753115 0.742910 0.010205 S\n0.755569 0.738604 0.483035 S\n0.755569 0.272533 0.016965 S\n0.767295 0.257090 0.510205 S\n0.246885 0.257090 0.989795 S\n0.244431 0.261396 0.516965 S\n0.244431 0.727467 0.983035 S\n","nsites":14,"nelements":4,"elements":["Ti","Cr","Cu","S"],"chemical_system":"Cr-Cu-S-Ti","density":3.9314833269588547,"density_atomic":0.056821796340801485,"volume":246.3843261137303,"volume_molar":10.598293520818768,"formula_full":"Ti2 Cr2 Cu2 S8","formula_reduced":"TiCrCuS4","formula_anonymous":"ABCD4","energy":-93.00394058,"energy_per_atom":-6.643138612857143,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-88.97994058,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":true,"total_magnetization":5.997259,"is_theoretical":true,"updated_at":"2021-11-28T01:36:38.867000Z","spacegroup":74},{"id":"mp-1207221","created_at":"2022-09-04T14:44:19.360346Z","structure_string":"In4 Sb2\n1.0\n2.689952 -4.659134 0.000000\n2.689952 4.659134 0.000000\n0.000000 0.000000 6.722552\nIn Sb\n4 2\ndirect\n0.333333 0.666667 0.750000 In\n0.666667 0.333333 0.250000 In\n0.000000 0.000000 0.000000 In\n0.000000 0.000000 0.500000 In\n0.333333 0.666667 0.250000 Sb\n0.666667 0.333333 0.750000 Sb\n","nsites":6,"nelements":2,"elements":["In","Sb"],"chemical_system":"In-Sb","density":6.9256734283886985,"density_atomic":0.03560716137175298,"volume":168.5054289320512,"volume_molar":16.91272353088315,"formula_full":"In4 Sb2","formula_reduced":"In2Sb","formula_anonymous":"AB2","energy":-19.56904767,"energy_per_atom":-3.261507945,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-19.18504767,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":5.4e-05,"is_theoretical":true,"updated_at":"2021-11-28T01:36:38.260000Z","spacegroup":194},{"id":"mp-1016882","created_at":"2022-09-04T14:44:15.781875Z","structure_string":"Cd1 Os1 O3\n1.0\n3.942935 0.000000 0.000000\n0.000000 3.942935 0.000000\n0.000000 0.000000 3.942935\nCd Os O\n1 1 3\ndirect\n0.000000 0.000000 0.000000 Cd\n0.500000 0.500000 0.500000 Os\n0.500000 0.500000 0.000000 O\n0.500000 0.000000 0.500000 O\n0.000000 0.500000 0.500000 O\n","nsites":5,"nelements":3,"elements":["Cd","Os","O"],"chemical_system":"Cd-O-Os","density":9.498405606100683,"density_atomic":0.08156637303427394,"volume":61.29977114342224,"volume_molar":7.383117007629497,"formula_full":"Cd1 Os1 O3","formula_reduced":"CdOsO3","formula_anonymous":"ABC3","energy":-32.20624478,"energy_per_atom":-6.441248956,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-30.14524478,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":0.0344059,"is_theoretical":true,"updated_at":"2021-11-28T01:36:25.027000Z","spacegroup":221},{"id":"mp-1178420","created_at":"2022-09-04T14:44:19.368497Z","structure_string":"Co4 Pb4 O12\n1.0\n2.526812 -4.910113 0.004549\n5.772693 -0.128818 -0.081732\n-2.516907 -1.307473 9.121948\nCo Pb O\n4 4 12\ndirect\n0.968383 0.063343 0.677505 Co\n0.531577 0.936693 0.822517 Co\n0.468490 0.063095 0.177412 Co\n0.031479 0.936840 0.322557 Co\n0.792107 0.415522 0.069375 Pb\n0.292289 0.415492 0.569187 Pb\n0.707761 0.584561 0.430745 Pb\n0.207892 0.584397 0.930671 Pb\n0.037451 0.240850 0.228573 O\n0.537462 0.240705 0.728446 O\n0.583080 0.240943 0.367047 O\n0.082997 0.240893 0.867116 O\n0.518827 0.240248 0.025190 O\n0.019015 0.240262 0.525137 O\n0.981127 0.759766 0.474809 O\n0.481041 0.759694 0.974845 O\n0.916920 0.759171 0.132935 O\n0.416965 0.759092 0.632923 O\n0.462595 0.759240 0.271481 O\n0.962543 0.759195 0.771531 O\n","nsites":20,"nelements":3,"elements":["Co","Pb","O"],"chemical_system":"Co-O-Pb","density":8.205797052471079,"density_atomic":0.0786557244860088,"volume":254.27265632214193,"volume_molar":7.656328638955213,"formula_full":"Co4 Pb4 O12","formula_reduced":"CoPbO3","formula_anonymous":"ABC3","energy":-128.36571281,"energy_per_atom":-6.4182856405,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-113.56971281,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":true,"total_magnetization":8.17e-05,"is_theoretical":true,"updated_at":"2021-11-28T01:36:41.174000Z","spacegroup":148},{"id":"mp-19860","created_at":"2022-09-04T14:44:15.776521Z","structure_string":"Ce2 Ti2 Ge2\n1.0\n4.062421 0.000000 0.000000\n0.000000 4.062421 0.000000\n0.000000 0.000000 7.845132\nCe Ti Ge\n2 2 2\ndirect\n0.000000 0.500000 0.354506 Ce\n0.500000 0.000000 0.645494 Ce\n0.500000 0.500000 0.000000 Ti\n0.000000 0.000000 0.000000 Ti\n0.500000 0.000000 0.230865 Ge\n0.000000 0.500000 0.769135 Ge\n","nsites":6,"nelements":3,"elements":["Ce","Ti","Ge"],"chemical_system":"Ce-Ge-Ti","density":6.685312615046071,"density_atomic":0.04634267920289931,"volume":129.47028750173394,"volume_molar":12.994804926218508,"formula_full":"Ce2 Ti2 Ge2","formula_reduced":"CeTiGe","formula_anonymous":"ABC","energy":-40.36063356,"energy_per_atom":-6.72677226,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-40.36063356,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":true,"total_magnetization":1.8563863,"is_theoretical":false,"updated_at":"2021-11-28T01:36:30.319000Z","spacegroup":129},{"id":"mp-972337","created_at":"2022-09-04T14:44:19.383162Z","structure_string":"Ti2 Ir1 W1\n1.0\n0.000000 3.132868 3.132868\n3.132868 0.000000 3.132868\n3.132868 3.132868 0.000000\nTi Ir W\n2 1 1\ndirect\n0.750000 0.750000 0.750000 Ti\n0.250000 0.250000 0.250000 Ti\n0.500000 0.500000 0.500000 Ir\n0.000000 0.000000 0.000000 W\n","nsites":4,"nelements":3,"elements":["Ti","Ir","W"],"chemical_system":"Ir-Ti-W","density":12.739209022844726,"density_atomic":0.06504347046310323,"volume":61.49733357584376,"volume_molar":9.258639978960131,"formula_full":"Ti2 Ir1 W1","formula_reduced":"Ti2IrW","formula_anonymous":"ABC2","energy":-39.64559632,"energy_per_atom":-9.91139908,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-39.64559632,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":0.0087917,"is_theoretical":true,"updated_at":"2021-11-28T01:36:37.034000Z","spacegroup":225}]}