{"count":146323,"next":"https://simmate.org/third-parties/MatprojStructure/?format=json&ordering=-is_theoretical&page=35","previous":"https://simmate.org/third-parties/MatprojStructure/?format=json&ordering=-is_theoretical&page=33","results":[{"id":"mp-1222537","created_at":"2022-09-04T14:42:39.399692Z","structure_string":"Li2 Zr10 Tl2 F44\n1.0\n8.163270 0.000000 0.000000\n0.000000 8.163306 0.000000\n0.000000 0.000000 11.838767\nLi Zr Tl F\n2 10 2 44\ndirect\n0.500000 0.249596 0.000000 Li\n0.000000 0.749596 0.000000 Li\n0.179827 0.569785 0.254713 Zr\n0.680398 0.429990 0.254910 Zr\n0.320173 0.069785 0.254713 Zr\n0.819602 0.929990 0.254910 Zr\n0.319602 0.429990 0.745090 Zr\n0.820173 0.569785 0.745287 Zr\n0.180398 0.929990 0.745090 Zr\n0.679827 0.069785 0.745287 Zr\n0.500000 0.749972 0.500000 Zr\n0.000000 0.249972 0.500000 Zr\n0.500000 0.735548 0.000000 Tl\n0.000000 0.235548 0.000000 Tl\n0.139361 0.610897 0.087693 F\n0.639053 0.389313 0.087575 F\n0.360639 0.110897 0.087693 F\n0.860947 0.889313 0.087575 F\n0.360947 0.389313 0.912425 F\n0.860639 0.610897 0.912307 F\n0.139053 0.889313 0.912425 F\n0.639361 0.110897 0.912307 F\n0.299136 0.663610 0.401770 F\n0.799100 0.336335 0.401795 F\n0.200864 0.163610 0.401770 F\n0.700900 0.836335 0.401795 F\n0.200900 0.336335 0.598205 F\n0.700864 0.663610 0.598230 F\n0.299100 0.836335 0.598205 F\n0.799136 0.163610 0.598230 F\n0.413600 0.549097 0.598258 F\n0.086400 0.049097 0.598258 F\n0.913674 0.450868 0.598182 F\n0.586326 0.950868 0.598182 F\n0.086326 0.450868 0.401818 F\n0.413674 0.950868 0.401818 F\n0.586400 0.549097 0.401742 F\n0.913600 0.049097 0.401742 F\n0.286533 0.820630 0.213507 F\n0.786584 0.179332 0.213431 F\n0.213467 0.320630 0.213507 F\n0.713416 0.679332 0.213431 F\n0.213416 0.179332 0.786569 F\n0.713467 0.820630 0.786493 F\n0.286584 0.679332 0.786569 F\n0.786533 0.320630 0.786493 F\n0.570563 0.536540 0.786585 F\n0.929437 0.036540 0.786585 F\n0.070724 0.463442 0.786466 F\n0.429276 0.963442 0.786466 F\n0.929276 0.463442 0.213534 F\n0.570724 0.963442 0.213534 F\n0.429437 0.536540 0.213415 F\n0.070563 0.036540 0.213415 F\n0.500090 0.250050 0.299936 F\n0.999910 0.750050 0.299936 F\n0.000090 0.750050 0.700064 F\n0.499910 0.250050 0.700064 F\n","nsites":58,"nelements":4,"elements":["Li","Zr","Tl","F"],"chemical_system":"F-Li-Tl-Zr","density":4.569154770667338,"density_atomic":0.07351759358123283,"volume":788.9268020710341,"volume_molar":8.191428019669702,"formula_full":"Li2 Zr10 Tl2 F44","formula_reduced":"LiZr5TlF22","formula_anonymous":"ABC5D22","energy":-400.88682925,"energy_per_atom":-6.911841883620689,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-380.55882925,"band_gap":5.2244,"is_gap_direct":true,"is_magnetic":false,"total_magnetization":0.000274,"is_theoretical":true,"updated_at":"2021-11-28T01:35:53.753000Z","spacegroup":30},{"id":"mp-1223638","created_at":"2022-09-04T14:42:39.402597Z","structure_string":"In1 Ga1 Sb2\n1.0\n4.563802 0.000000 0.000000\n0.000000 4.563802 0.000000\n0.000000 0.000000 6.395951\nIn Ga Sb\n1 1 2\ndirect\n0.500000 0.500000 0.500000 In\n0.000000 0.000000 0.000000 Ga\n0.000000 0.500000 0.233283 Sb\n0.500000 0.000000 0.766717 Sb\n","nsites":4,"nelements":3,"elements":["In","Ga","Sb"],"chemical_system":"Ga-In-Sb","density":5.33575699725435,"density_atomic":0.030026262340857954,"volume":133.21671390837872,"volume_molar":20.05624506852266,"formula_full":"In1 Ga1 Sb2","formula_reduced":"InGaSb2","formula_anonymous":"ABC2","energy":-14.92452851,"energy_per_atom":-3.7311321275,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-14.54052851,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":0.0002006,"is_theoretical":true,"updated_at":"2021-11-28T01:35:50.526000Z","spacegroup":115},{"id":"mp-1276359","created_at":"2022-09-04T14:42:38.856641Z","structure_string":"Co1 H1 O2\n1.0\n2.696988 0.001965 3.800353\n1.042414 2.577097 3.924726\n-0.193627 0.115387 4.806877\nCo H O\n1 1 2\ndirect\n0.000000 0.000000 0.000000 Co\n0.500000 0.500000 0.500000 H\n0.389705 0.418642 0.418005 O\n0.610295 0.581358 0.581995 O\n","nsites":4,"nelements":3,"elements":["Co","H","O"],"chemical_system":"Co-H-O","density":4.421306737319198,"density_atomic":0.11583967956676865,"volume":34.530482257544975,"volume_molar":5.198685616640461,"formula_full":"Co1 H1 O2","formula_reduced":"CoHO2","formula_anonymous":"ABC2","energy":-25.21513887,"energy_per_atom":-6.3037847175,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-22.20313887,"band_gap":0.2849999999999997,"is_gap_direct":false,"is_magnetic":true,"total_magnetization":1.9999572,"is_theoretical":true,"updated_at":"2021-11-28T01:35:49.408000Z","spacegroup":12},{"id":"mp-850197","created_at":"2022-09-04T14:42:39.354632Z","structure_string":"Li8 V4 P8 O32\n1.0\n6.879358 0.000000 0.000000\n0.000000 8.947680 0.000000\n0.000000 0.000000 10.859892\nLi V P O\n8 4 8 32\ndirect\n0.229290 0.262444 0.008532 Li\n0.371637 0.907792 0.896022 Li\n0.128363 0.092208 0.396022 Li\n0.270710 0.737556 0.508532 Li\n0.729290 0.237556 0.991468 Li\n0.871637 0.592208 0.103978 Li\n0.628363 0.407792 0.603978 Li\n0.770710 0.762444 0.491468 Li\n0.256386 0.223696 0.683532 V\n0.243614 0.776304 0.183532 V\n0.756386 0.276304 0.316468 V\n0.743614 0.723696 0.816468 V\n0.970359 0.437153 0.852764 P\n0.126973 0.494921 0.335710 P\n0.373027 0.505079 0.835710 P\n0.529641 0.562847 0.352764 P\n0.470359 0.062847 0.147236 P\n0.626973 0.005079 0.664290 P\n0.873027 0.994921 0.164290 P\n0.029641 0.937153 0.647236 P\n0.972050 0.841601 0.178290 O\n0.073387 0.594808 0.442383 O\n0.093403 0.912343 0.514437 O\n0.052565 0.287984 0.802592 O\n0.116497 0.576435 0.209068 O\n0.187900 0.006190 0.730620 O\n0.176755 0.228823 0.542603 O\n0.147100 0.555900 0.851401 O\n0.352900 0.444100 0.351401 O\n0.323245 0.771177 0.042603 O\n0.312100 0.993810 0.230620 O\n0.383503 0.423565 0.709068 O\n0.447435 0.712016 0.302592 O\n0.406597 0.087657 0.014437 O\n0.426613 0.405192 0.942383 O\n0.527950 0.158399 0.678290 O\n0.472050 0.658399 0.821710 O\n0.573387 0.905192 0.557617 O\n0.593403 0.587657 0.485563 O\n0.552565 0.212016 0.197408 O\n0.616497 0.923565 0.790932 O\n0.687900 0.493810 0.269380 O\n0.676755 0.271177 0.457397 O\n0.647100 0.944100 0.148599 O\n0.852900 0.055900 0.648599 O\n0.823245 0.728823 0.957397 O\n0.812100 0.506190 0.769380 O\n0.883503 0.076435 0.290932 O\n0.947435 0.787984 0.697408 O\n0.906597 0.412343 0.985563 O\n0.926613 0.094808 0.057617 O\n0.027950 0.341601 0.321710 O\n","nsites":52,"nelements":4,"elements":["Li","V","P","O"],"chemical_system":"Li-O-P-V","density":2.5314367364585406,"density_atomic":0.07778923184273266,"volume":668.4729848615675,"volume_molar":7.741612325180209,"formula_full":"Li8 V4 P8 O32","formula_reduced":"Li2V(PO4)2","formula_anonymous":"AB2C2D8","energy":-389.20455853,"energy_per_atom":-7.484703048653846,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-360.42055853,"band_gap":2.962,"is_gap_direct":false,"is_magnetic":true,"total_magnetization":4.0076082,"is_theoretical":true,"updated_at":"2021-11-28T01:35:49.543000Z","spacegroup":19},{"id":"mp-865761","created_at":"2022-09-04T14:42:38.866148Z","structure_string":"Th1 Zn1 Rh2\n1.0\n0.000000 3.341245 3.341245\n3.341245 0.000000 3.341245\n3.341245 3.341245 0.000000\nTh Zn Rh\n1 1 2\ndirect\n0.500000 0.500000 0.500000 Th\n0.000000 0.000000 0.000000 Zn\n0.750000 0.750000 0.750000 Rh\n0.250000 0.250000 0.250000 Rh\n","nsites":4,"nelements":3,"elements":["Th","Zn","Rh"],"chemical_system":"Rh-Th-Zn","density":11.201724192644287,"density_atomic":0.05361731105994679,"volume":74.60277139836056,"volume_molar":11.231709761175733,"formula_full":"Th1 Zn1 Rh2","formula_reduced":"ThZnRh2","formula_anonymous":"ABC2","energy":-26.11047247,"energy_per_atom":-6.5276181175,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-26.11047247,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":3.96e-05,"is_theoretical":true,"updated_at":"2021-11-28T01:36:06.574000Z","spacegroup":225},{"id":"mp-752685","created_at":"2022-09-04T14:42:39.391917Z","structure_string":"Zr4 Bi4 O16\n1.0\n5.499527 0.000000 0.000000\n-0.383902 7.834740 0.000000\n-0.189061 -1.082455 7.781635\nZr Bi O\n4 4 16\ndirect\n0.778941 0.328542 0.640055 Zr\n0.742889 0.827273 0.670170 Zr\n0.257111 0.172727 0.329830 Zr\n0.221059 0.671458 0.359945 Zr\n0.276745 0.150546 0.821867 Bi\n0.245238 0.638517 0.863364 Bi\n0.754762 0.361483 0.136636 Bi\n0.723255 0.849454 0.178133 Bi\n0.991473 0.317849 0.887482 O\n0.499770 0.387100 0.815037 O\n0.589277 0.828333 0.920059 O\n0.597316 0.073084 0.680718 O\n0.081981 0.909397 0.808682 O\n0.898119 0.582144 0.677583 O\n0.094639 0.184716 0.572059 O\n0.584664 0.307557 0.409996 O\n0.415336 0.692443 0.590004 O\n0.905361 0.815284 0.427941 O\n0.101881 0.417856 0.322417 O\n0.918019 0.090603 0.191318 O\n0.402684 0.926916 0.319282 O\n0.410723 0.171667 0.079941 O\n0.500230 0.612900 0.184963 O\n0.008527 0.682151 0.112518 O\n","nsites":24,"nelements":3,"elements":["Zr","Bi","O"],"chemical_system":"Bi-O-Zr","density":7.214905242471345,"density_atomic":0.07157979630299582,"volume":335.29014106729903,"volume_molar":8.413185103948049,"formula_full":"Zr4 Bi4 O16","formula_reduced":"ZrBiO4","formula_anonymous":"ABC4","energy":-191.55351494,"energy_per_atom":-7.981396455833334,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-180.56151494,"band_gap":0.6690999999999998,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":8.85e-05,"is_theoretical":true,"updated_at":"2021-11-28T01:35:53.418000Z","spacegroup":2},{"id":"mp-857352","created_at":"2022-09-04T14:42:38.508559Z","structure_string":"Na8 Bi4 O10\n1.0\n5.146785 0.000000 0.000000\n2.556183 8.525562 0.000000\n2.467194 2.989478 8.196326\nNa Bi O\n8 4 10\ndirect\n0.084485 0.796199 0.549627 Na\n0.585914 0.005225 0.325732 Na\n0.245882 0.379558 0.627920 Na\n0.909522 0.700598 0.960930 Na\n0.090478 0.299402 0.039070 Na\n0.754118 0.620442 0.372080 Na\n0.414086 0.994775 0.674268 Na\n0.915515 0.203801 0.450373 Na\n0.766575 0.121602 0.867901 Bi\n0.416660 0.440413 0.234537 Bi\n0.583340 0.559587 0.765463 Bi\n0.233425 0.878398 0.132099 Bi\n0.169804 0.544831 0.796172 O\n0.246938 0.621584 0.355562 O\n0.879909 0.972459 0.724508 O\n0.414206 0.224965 0.439632 O\n0.178197 0.122183 0.880243 O\n0.821803 0.877817 0.119757 O\n0.585794 0.775035 0.560368 O\n0.120091 0.027541 0.275492 O\n0.753062 0.378416 0.644438 O\n0.830196 0.455169 0.203828 O\n","nsites":22,"nelements":3,"elements":["Na","Bi","O"],"chemical_system":"Bi-Na-O","density":5.447429860074737,"density_atomic":0.061170835670949684,"volume":359.6485115610069,"volume_molar":9.844790730658506,"formula_full":"Na8 Bi4 O10","formula_reduced":"Na4Bi2O5","formula_anonymous":"A2B4C5","energy":-113.15597569,"energy_per_atom":-5.143453440454546,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-106.28597569,"band_gap":2.1558999999999995,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":0.0005855,"is_theoretical":true,"updated_at":"2021-11-28T01:36:01.971000Z","spacegroup":2},{"id":"mp-1215732","created_at":"2022-09-04T14:42:38.276715Z","structure_string":"Zn4 Co4 Te12 O32\n1.0\n-0.000029 -5.303263 0.000040\n-12.680458 -0.000088 2.078459\n0.007794 0.000092 -11.888684\nZn Co Te O\n4 4 12 32\ndirect\n0.789743 0.271036 0.156208 Zn\n0.289758 0.771029 0.156208 Zn\n0.289759 0.228973 0.343791 Zn\n0.789745 0.728969 0.343793 Zn\n0.207500 0.729157 0.848005 Co\n0.207503 0.270837 0.651991 Co\n0.707429 0.229143 0.847999 Co\n0.707428 0.770857 0.651997 Co\n0.858645 0.500000 0.749999 Te\n0.358651 0.000001 0.750000 Te\n0.636109 0.000000 0.250000 Te\n0.136112 0.499996 0.250001 Te\n0.196509 0.362515 0.943992 Te\n0.696570 0.862510 0.943984 Te\n0.696563 0.137493 0.556017 Te\n0.196515 0.637482 0.556009 Te\n0.304520 0.136963 0.051867 Te\n0.804552 0.636965 0.051857 Te\n0.804554 0.363036 0.448145 Te\n0.304526 0.863039 0.448129 Te\n0.916048 0.418430 0.143683 O\n0.416055 0.918431 0.143683 O\n0.416062 0.081572 0.356319 O\n0.916057 0.581569 0.356316 O\n0.579449 0.081268 0.856453 O\n0.079440 0.581288 0.856441 O\n0.079432 0.418702 0.643562 O\n0.579455 0.918738 0.643551 O\n0.489930 0.263919 0.031922 O\n0.989978 0.763927 0.031925 O\n0.989979 0.236074 0.468074 O\n0.489935 0.736081 0.468084 O\n0.018537 0.233830 0.962176 O\n0.518637 0.733810 0.962158 O\n0.518652 0.266195 0.537842 O\n0.018530 0.766166 0.537825 O\n0.380136 0.304464 0.809655 O\n0.880166 0.804470 0.809643 O\n0.880167 0.195527 0.690357 O\n0.380145 0.695534 0.690346 O\n0.122635 0.197126 0.186408 O\n0.622653 0.697132 0.186399 O\n0.622659 0.302869 0.313599 O\n0.122624 0.802878 0.313593 O\n0.885679 0.385723 0.859635 O\n0.385710 0.885697 0.859617 O\n0.385705 0.114307 0.640379 O\n0.885690 0.614274 0.640365 O\n0.611781 0.113384 0.138990 O\n0.111802 0.613388 0.138994 O\n0.111805 0.386613 0.361007 O\n0.611776 0.886612 0.361009 O\n","nsites":52,"nelements":4,"elements":["Zn","Co","Te","O"],"chemical_system":"Co-O-Te-Zn","density":5.2772972103183715,"density_atomic":0.06504862563955606,"volume":799.4019779624491,"volume_molar":9.257906221369781,"formula_full":"Zn4 Co4 Te12 O32","formula_reduced":"ZnCoTe3O8","formula_anonymous":"ABC3D8","energy":-309.89788211,"energy_per_atom":-5.959574655961538,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-281.36188211,"band_gap":2.8426,"is_gap_direct":false,"is_magnetic":true,"total_magnetization":3.4e-06,"is_theoretical":true,"updated_at":"2021-11-28T01:35:53.536000Z","spacegroup":5},{"id":"mp-1227769","created_at":"2022-09-04T14:42:38.612888Z","structure_string":"Ca6 La2 Ti4 Cr4 O24\n1.0\n-5.423118 -5.480082 0.001919\n5.441498 -0.021595 7.706174\n-5.473493 5.530563 0.006571\nCa La Ti Cr O\n6 2 4 4 24\ndirect\n0.100503 0.247568 0.637776 Ca\n0.601039 0.247781 0.137590 Ca\n0.106979 0.247359 0.148327 Ca\n0.607186 0.247392 0.648785 Ca\n0.400648 0.752951 0.861898 Ca\n0.901113 0.753137 0.361772 Ca\n0.388624 0.752334 0.356126 La\n0.888777 0.752331 0.856479 La\n0.996012 0.493515 0.497228 Ti\n0.495974 0.493481 0.997208 Ti\n0.254302 0.009157 0.254046 Ti\n0.753776 0.008570 0.753683 Ti\n0.251138 0.001994 0.750856 Cr\n0.997611 0.497273 0.998554 Cr\n0.751223 0.002019 0.250784 Cr\n0.497663 0.497312 0.498589 Cr\n0.266328 0.542962 0.985528 O\n0.766488 0.543406 0.485696 O\n0.772267 0.967737 0.980979 O\n0.272200 0.967754 0.481018 O\n0.025855 0.041750 0.308435 O\n0.525798 0.041904 0.808457 O\n0.940982 0.460463 0.728214 O\n0.440992 0.460544 0.228357 O\n0.234173 0.456713 0.512387 O\n0.734209 0.456923 0.012345 O\n0.726867 0.035687 0.521114 O\n0.226908 0.035730 0.021183 O\n0.473950 0.955945 0.190815 O\n0.973917 0.956124 0.690830 O\n0.552766 0.537043 0.768462 O\n0.052673 0.536917 0.268511 O\n0.929064 0.255623 0.903507 O\n0.429689 0.255580 0.403485 O\n0.345735 0.254292 0.831170 O\n0.845811 0.254286 0.331120 O\n0.577755 0.744273 0.599901 O\n0.078217 0.744127 0.099797 O\n0.157349 0.745026 0.664527 O\n0.657434 0.745017 0.164461 O\n","nsites":40,"nelements":5,"elements":["Ca","La","Ti","Cr","O"],"chemical_system":"Ca-Cr-La-O-Ti","density":4.673293443762222,"density_atomic":0.08648034016011788,"volume":462.5328707766438,"volume_molar":6.9635951348596,"formula_full":"Ca6 La2 Ti4 Cr4 O24","formula_reduced":"Ca3LaTi2Cr2O12","formula_anonymous":"AB2C2D3E12","energy":-340.0958005,"energy_per_atom":-8.5023950125,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-315.6118005,"band_gap":0.7309000000000001,"is_gap_direct":false,"is_magnetic":true,"total_magnetization":1.5e-05,"is_theoretical":true,"updated_at":"2021-11-28T01:35:51.289000Z","spacegroup":1},{"id":"mp-1048504","created_at":"2022-09-04T14:42:40.369494Z","structure_string":"Ba2 Al1 Fe3 O7\n1.0\n3.681977 0.000000 0.000000\n0.106116 4.491827 0.000000\n0.477972 0.561831 11.050004\nBa Al Fe O\n2 1 3 7\ndirect\n0.485307 0.478583 0.183167 Ba\n0.514441 0.521859 0.816595 Ba\n0.506001 0.501221 0.501248 Al\n0.959305 0.960104 0.365199 Fe\n0.044531 0.040518 0.632452 Fe\n0.999610 0.000344 0.000345 Fe\n0.000262 0.499734 0.001474 O\n0.460838 0.818877 0.392792 O\n0.540246 0.182880 0.607147 O\n0.896026 0.374984 0.395146 O\n0.096310 0.621932 0.600165 O\n0.000699 0.973879 0.181140 O\n0.996423 0.025086 0.823132 O\n","nsites":13,"nelements":4,"elements":["Ba","Al","Fe","O"],"chemical_system":"Al-Ba-Fe-O","density":5.280596961170123,"density_atomic":0.07113393347929803,"volume":182.75384706208274,"volume_molar":8.465918395687497,"formula_full":"Ba2 Al1 Fe3 O7","formula_reduced":"Ba2AlFe3O7","formula_anonymous":"AB2C3D7","energy":-96.04143267,"energy_per_atom":-7.387802513076924,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-84.46443267,"band_gap":0.133,"is_gap_direct":false,"is_magnetic":true,"total_magnetization":12.9999076,"is_theoretical":true,"updated_at":"2021-11-28T01:35:48.783000Z","spacegroup":1},{"id":"mp-20120","created_at":"2022-09-04T14:42:40.374501Z","structure_string":"Fe1 Se1\n1.0\n3.044002 0.000000 0.000000\n0.000000 3.044002 0.000000\n0.000000 0.000000 3.044002\nFe Se\n1 1\ndirect\n0.000000 0.000000 0.000000 Fe\n0.500000 0.500000 0.500000 Se\n","nsites":2,"nelements":2,"elements":["Fe","Se"],"chemical_system":"Fe-Se","density":7.936340598806145,"density_atomic":0.07090799335607698,"volume":28.205564779652523,"volume_molar":8.492894065918295,"formula_full":"Fe1 Se1","formula_reduced":"FeSe","formula_anonymous":"AB","energy":-11.93701623,"energy_per_atom":-5.968508115,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-11.46501623,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":true,"total_magnetization":1.8647357,"is_theoretical":true,"updated_at":"2021-11-28T01:35:53.328000Z","spacegroup":221},{"id":"mp-1218640","created_at":"2022-09-04T14:42:40.133940Z","structure_string":"Sr2 Y1 Cu2 Bi1 Pb1 O8\n1.0\n-1.887797 1.887797 15.572670\n1.887797 -1.887797 15.572670\n1.887797 1.887797 -15.572670\nSr Y Cu Bi Pb O\n2 1 2 1 1 8\ndirect\n0.616521 0.616521 0.000000 Sr\n0.388697 0.388697 0.000000 Sr\n0.501263 0.501263 0.000000 Y\n0.054801 0.054801 0.000000 Cu\n0.948873 0.948873 0.000000 Cu\n0.798722 0.798722 0.000000 Bi\n0.199787 0.199787 0.000000 Pb\n0.127841 0.127841 0.000000 O\n0.866548 0.866548 0.000000 O\n0.046177 0.546177 0.500000 O\n0.451226 0.951226 0.500000 O\n0.951226 0.451226 0.500000 O\n0.546177 0.046177 0.500000 O\n0.697561 0.697561 0.000000 O\n0.304580 0.304580 0.000000 O\n","nsites":15,"nelements":6,"elements":["Sr","Y","Cu","Bi","Pb","O"],"chemical_system":"Bi-Cu-O-Pb-Sr-Y","density":6.9971156576520706,"density_atomic":0.06757057334210226,"volume":221.9901246664976,"volume_molar":8.912371853810644,"formula_full":"Sr2 Y1 Cu2 Bi1 Pb1 O8","formula_reduced":"Sr2YCu2BiPbO8","formula_anonymous":"ABCD2E2F8","energy":-97.67906824,"energy_per_atom":-6.511937882666667,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-92.18306824,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":0.0003961,"is_theoretical":true,"updated_at":"2021-11-28T01:36:05.775000Z","spacegroup":107}]}