{"count":146323,"next":"https://simmate.org/third-parties/MatprojStructure/?format=json&ordering=total_magnetization&page=52","previous":"https://simmate.org/third-parties/MatprojStructure/?format=json&ordering=total_magnetization&page=50","results":[{"id":"mp-1035646","created_at":"2022-09-04T14:41:20.526942Z","structure_string":"K1 Mg14 Sb1 O16\n1.0\n8.728760 0.000000 0.000000\n0.000000 8.825059 0.000000\n0.000000 0.000000 4.453127\nK Mg Sb O\n1 14 1 16\ndirect\n-0.000000 0.000000 0.000000 K\n0.500000 0.000000 0.000000 Mg\n0.500000 0.500000 0.000000 Mg\n-0.000000 0.235983 0.500000 Mg\n-0.000000 0.764017 0.500000 Mg\n0.500000 0.247042 0.500000 Mg\n0.500000 0.752958 0.500000 Mg\n0.253220 0.000000 0.500000 Mg\n0.261443 0.500000 0.500000 Mg\n0.746780 0.000000 0.500000 Mg\n0.738557 0.500000 0.500000 Mg\n0.258689 0.242261 -0.000000 Mg\n0.258689 0.757739 -0.000000 Mg\n0.741311 0.242261 0.000000 Mg\n0.741311 0.757739 0.000000 Mg\n-0.000000 0.500000 0.000000 Sb\n0.276087 0.000000 0.000000 O\n0.265403 0.500000 0.000000 O\n0.723913 0.000000 -0.000000 O\n0.734597 0.500000 -0.000000 O\n0.249708 0.251529 0.500000 O\n0.249708 0.748471 0.500000 O\n0.750292 0.251529 0.500000 O\n0.750292 0.748471 0.500000 O\n-0.000000 0.000000 0.500000 O\n-0.000000 0.500000 0.500000 O\n0.500000 0.000000 0.500000 O\n0.500000 0.500000 0.500000 O\n-0.000000 0.259689 0.000000 O\n-0.000000 0.740311 -0.000000 O\n0.500000 0.254285 0.000000 O\n0.500000 0.745715 0.000000 O\n","nsites":32,"nelements":4,"elements":["K","Mg","Sb","O"],"chemical_system":"K-Mg-O-Sb","density":3.665032407344262,"density_atomic":0.09328562532502738,"volume":343.03248639332213,"volume_molar":6.455593494729283,"formula_full":"K1 Mg14 Sb1 O16","formula_reduced":"KMg14SbO16","formula_anonymous":"ABC14D16","energy":-193.16498152,"energy_per_atom":-6.0364056725,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-182.17298152,"band_gap":5.1607,"is_gap_direct":true,"is_magnetic":false,"total_magnetization":0.0,"is_theoretical":true,"updated_at":"2021-11-28T01:35:18.063000Z","spacegroup":47},{"id":"mp-11107","created_at":"2022-09-04T14:41:15.966599Z","structure_string":"Ac2 O3\n1.0\n2.050283 -3.551194 0.000000\n2.050283 3.551194 0.000000\n0.000000 0.000000 6.378450\nAc O\n2 3\ndirect\n0.666667 0.333333 0.753360 Ac\n0.333333 0.666667 0.246640 Ac\n0.666667 0.333333 0.356273 O\n0.333333 0.666667 0.643727 O\n0.000000 0.000000 0.000000 O\n","nsites":5,"nelements":2,"elements":["Ac","O"],"chemical_system":"Ac-O","density":8.97465778223645,"density_atomic":0.05383152016893158,"volume":92.88238534429702,"volume_molar":11.187015973358356,"formula_full":"Ac2 O3","formula_reduced":"Ac2O3","formula_anonymous":"A2B3","energy":-41.77457448,"energy_per_atom":-8.354914896,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-39.71357448,"band_gap":3.5226,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":0.0,"is_theoretical":false,"updated_at":"2021-11-28T01:35:16.191000Z","spacegroup":164},{"id":"mp-1518644","created_at":"2022-09-04T14:41:56.734672Z","structure_string":"K1 Sr1 Hf1 Bi1 O6\n1.0\n0.000000 -4.183853 -4.183853\n4.183853 0.000000 -4.183853\n4.183853 -4.183853 0.000000\nK Sr Hf Bi O\n1 1 1 1 6\ndirect\n0.250000 0.250000 0.250000 K\n0.750000 0.750000 0.750000 Sr\n0.500000 0.500000 0.500000 Hf\n0.000000 0.000000 0.000000 Bi\n0.747133 0.252867 0.252867 O\n0.252867 0.747133 0.747133 O\n0.747133 0.252867 0.747133 O\n0.252867 0.747133 0.252867 O\n0.747133 0.747133 0.252867 O\n0.252867 0.252867 0.747133 O\n","nsites":10,"nelements":5,"elements":["K","Sr","Hf","Bi","O"],"chemical_system":"Bi-Hf-K-O-Sr","density":6.917536332073094,"density_atomic":0.0682717056161393,"volume":146.473563385474,"volume_molar":8.820844163261066,"formula_full":"K1 Sr1 Hf1 Bi1 O6","formula_reduced":"KSrHfBiO6","formula_anonymous":"ABCDE6","energy":-72.80525618,"energy_per_atom":-7.280525618,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-68.68325618,"band_gap":1.1399,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":0.0,"is_theoretical":true,"updated_at":"2021-11-28T01:35:36.962000Z","spacegroup":216},{"id":"mp-4051","created_at":"2022-09-04T14:41:57.077548Z","structure_string":"Al2 P2 O8\n1.0\n3.621116 -3.627031 0.000000\n3.621116 3.627031 0.000000\n0.000000 0.000000 7.167004\nAl P O\n2 2 8\ndirect\n0.205039 0.205039 0.500000 Al\n0.794961 0.794961 0.000000 Al\n0.296124 0.703876 0.250000 P\n0.703876 0.296124 0.750000 P\n0.258613 0.420246 0.314344 O\n0.741387 0.579754 0.814344 O\n0.420246 0.258613 0.685656 O\n0.579754 0.741387 0.185656 O\n0.239190 0.886599 0.415218 O\n0.760810 0.113401 0.915218 O\n0.886599 0.239190 0.584782 O\n0.113401 0.760810 0.084782 O\n","nsites":12,"nelements":3,"elements":["Al","P","O"],"chemical_system":"Al-O-P","density":2.1513441010533465,"density_atomic":0.06374115059408171,"volume":188.26142747906695,"volume_molar":9.44780679964561,"formula_full":"Al2 P2 O8","formula_reduced":"AlPO4","formula_anonymous":"ABC4","energy":-95.32147109,"energy_per_atom":-7.943455924166667,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-89.82547109,"band_gap":5.475,"is_gap_direct":true,"is_magnetic":false,"total_magnetization":0.0,"is_theoretical":false,"updated_at":"2021-11-28T01:35:30.632000Z","spacegroup":20},{"id":"mp-1202801","created_at":"2022-09-04T14:41:36.701337Z","structure_string":"Li20 P20 O60\n1.0\n5.521558 0.000000 0.000000\n0.000000 13.312980 0.000000\n0.000000 10.635230 16.540545\nLi P O\n20 20 60\ndirect\n0.505393 0.873522 0.181780 Li\n0.494607 0.873522 0.681780 Li\n0.515581 0.111170 0.065996 Li\n0.484419 0.111170 0.565996 Li\n0.494216 0.347043 0.950543 Li\n0.505784 0.347043 0.450543 Li\n0.492776 0.581703 0.835452 Li\n0.507224 0.581703 0.335452 Li\n0.007217 0.729106 0.758434 Li\n0.992783 0.729106 0.258434 Li\n0.478806 0.375737 0.681714 Li\n0.521194 0.375737 0.181714 Li\n0.523687 0.612275 0.566270 Li\n0.476313 0.612275 0.066270 Li\n0.466750 0.848182 0.449547 Li\n0.533250 0.848182 0.949547 Li\n0.522263 0.084520 0.332984 Li\n0.477737 0.084520 0.832984 Li\n0.039111 0.233171 0.256366 Li\n0.960889 0.233171 0.756366 Li\n0.814623 0.999221 0.999587 P\n0.185377 0.999221 0.499587 P\n0.156683 0.205613 0.906720 P\n0.843317 0.205613 0.406720 P\n0.811556 0.401137 0.802939 P\n0.188444 0.401137 0.302939 P\n0.171023 0.591605 0.691689 P\n0.828977 0.591605 0.191689 P\n0.840261 0.791599 0.591751 P\n0.159739 0.791599 0.091751 P\n0.156070 0.665080 0.425433 P\n0.843930 0.665080 0.925433 P\n0.825678 0.865452 0.325562 P\n0.174322 0.865452 0.825562 P\n0.187722 0.056323 0.213545 P\n0.812278 0.056323 0.713545 P\n0.848099 0.252134 0.110144 P\n0.151901 0.252134 0.610144 P\n0.190133 0.458420 0.017155 P\n0.809867 0.458420 0.517155 P\n0.931000 0.129985 0.964587 O\n0.069000 0.129985 0.464587 O\n0.048913 0.340179 0.859372 O\n0.951087 0.340179 0.359372 O\n0.919982 0.518650 0.724144 O\n0.080018 0.518650 0.224144 O\n0.073319 0.706904 0.607741 O\n0.926681 0.706904 0.107741 O\n0.057978 0.919848 0.021852 O\n0.942022 0.919848 0.521852 O\n0.923219 0.749936 0.409378 O\n0.076781 0.749936 0.909378 O\n0.078159 0.936774 0.290596 O\n0.921841 0.936774 0.790596 O\n0.950735 0.116799 0.156445 O\n0.049265 0.116799 0.656445 O\n0.081213 0.325432 0.056520 O\n0.918787 0.325432 0.556520 O\n0.055309 0.536371 0.495673 O\n0.944691 0.536371 0.995673 O\n0.677205 0.970827 0.073889 O\n0.322795 0.970827 0.573889 O\n0.686082 0.994909 0.933926 O\n0.313918 0.994909 0.433926 O\n0.356424 0.204625 0.958651 O\n0.643576 0.204625 0.458651 O\n0.204695 0.171056 0.846743 O\n0.795305 0.171056 0.346743 O\n0.648026 0.439658 0.845353 O\n0.351974 0.439658 0.345353 O\n0.718219 0.322583 0.775410 O\n0.281781 0.322583 0.275410 O\n0.248454 0.630670 0.747295 O\n0.751546 0.630670 0.247295 O\n0.343710 0.527520 0.669352 O\n0.656290 0.527520 0.169352 O\n0.784879 0.790584 0.667159 O\n0.215121 0.790584 0.167159 O\n0.644223 0.761105 0.553292 O\n0.355777 0.761105 0.053292 O\n0.350110 0.697609 0.463335 O\n0.649890 0.697609 0.963335 O\n0.214004 0.665087 0.350606 O\n0.785996 0.665087 0.850606 O\n0.659207 0.931406 0.348215 O\n0.340793 0.931406 0.848215 O\n0.741956 0.824688 0.271458 O\n0.258044 0.824688 0.771458 O\n0.274266 0.135280 0.241625 O\n0.725734 0.135280 0.741625 O\n0.357050 0.019880 0.171199 O\n0.642950 0.019880 0.671199 O\n0.794728 0.286380 0.170027 O\n0.205272 0.286380 0.670027 O\n0.652705 0.257004 0.055640 O\n0.347295 0.257004 0.555640 O\n0.322530 0.467181 0.080441 O\n0.677470 0.467181 0.580441 O\n0.321086 0.484690 0.942366 O\n0.678914 0.484690 0.442366 O\n","nsites":100,"nelements":3,"elements":["Li","P","O"],"chemical_system":"Li-O-P","density":2.3466647638546436,"density_atomic":0.08224571240686895,"volume":1215.86885289899,"volume_molar":7.322133377857453,"formula_full":"Li20 P20 O60","formula_reduced":"LiPO3","formula_anonymous":"ABC3","energy":-714.34945607,"energy_per_atom":-7.1434945607,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-673.12945607,"band_gap":5.5832,"is_gap_direct":true,"is_magnetic":false,"total_magnetization":0.0,"is_theoretical":false,"updated_at":"2021-11-28T01:35:26.511000Z","spacegroup":7},{"id":"mp-1234090","created_at":"2022-09-04T14:41:15.980258Z","structure_string":"Rb2 Ba8 Mg1 Sb6 O2\n1.0\n8.369771 0.248897 -4.149963\n-1.669212 8.205410 -4.149963\n-0.139574 -0.176104 10.868377\nRb Ba Mg Sb O\n2 8 1 6 2\ndirect\n0.997988 0.013487 0.000000 Rb\n0.513487 0.497988 0.000000 Rb\n0.505872 0.699198 0.713505 Ba\n0.199198 0.005872 0.713505 Ba\n0.792367 0.985693 0.286495 Ba\n0.964254 0.464254 0.625466 Ba\n0.485693 0.292367 0.286495 Ba\n0.699928 0.199928 0.695555 Ba\n0.004373 0.504373 0.304445 Ba\n0.338788 0.838788 0.374534 Ba\n0.177464 0.677464 0.000000 Mg\n0.888551 0.621182 0.000000 Sb\n0.641201 0.141201 0.000000 Sb\n0.121182 0.388551 0.000000 Sb\n0.372401 0.872401 0.000000 Sb\n0.251760 0.251760 0.500000 Sb\n0.751760 0.751760 0.500000 Sb\n0.733871 0.233871 0.481154 O\n0.252718 0.752718 0.518846 O\n","nsites":19,"nelements":5,"elements":["Rb","Ba","Mg","Sb","O"],"chemical_system":"Ba-Mg-O-Rb-Sb","density":4.620895260426656,"density_atomic":0.025711048088695208,"volume":738.981932376146,"volume_molar":23.422385346662907,"formula_full":"Rb2 Ba8 Mg1 Sb6 O2","formula_reduced":"Rb2Ba8Mg(Sb3O)2","formula_anonymous":"AB2C2D6E8","energy":-77.6465892,"energy_per_atom":-4.086662589473684,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-75.1205892,"band_gap":0.2824,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":0.0,"is_theoretical":true,"updated_at":"2021-11-28T01:35:14.568000Z","spacegroup":42},{"id":"mp-559721","created_at":"2022-09-04T14:42:12.730355Z","structure_string":"K4 B4 C4 F24\n1.0\n16.589579 0.000000 0.000000\n0.000000 4.914129 0.000000\n0.000000 1.337186 6.297772\nK B C F\n4 4 4 24\ndirect\n0.655163 0.180500 0.279920 K\n0.155163 0.819500 0.220080 K\n0.344837 0.819500 0.720080 K\n0.844837 0.180500 0.779920 K\n0.338916 0.285631 0.152467 B\n0.661084 0.714369 0.847533 B\n0.161084 0.285631 0.652467 B\n0.838916 0.714369 0.347533 B\n0.582273 0.614068 0.726551 C\n0.417727 0.385932 0.273449 C\n0.917727 0.614068 0.226551 C\n0.082273 0.385932 0.773449 C\n0.400102 0.413791 0.480149 F\n0.599898 0.586209 0.519851 F\n0.281692 0.506047 0.109682 F\n0.099898 0.413791 0.980149 F\n0.481222 0.199031 0.296955 F\n0.551014 0.363241 0.826896 F\n0.948986 0.363241 0.326896 F\n0.718308 0.493953 0.890318 F\n0.196107 0.047753 0.785270 F\n0.363552 0.224229 0.956289 F\n0.863552 0.775771 0.543711 F\n0.448986 0.636759 0.173104 F\n0.803893 0.952247 0.214730 F\n0.018778 0.199031 0.796955 F\n0.636448 0.775771 0.043711 F\n0.900102 0.586209 0.019851 F\n0.136448 0.224229 0.456289 F\n0.781692 0.493953 0.390318 F\n0.696107 0.952247 0.714730 F\n0.303893 0.047753 0.285270 F\n0.518778 0.800969 0.703045 F\n0.051014 0.636759 0.673104 F\n0.218308 0.506047 0.609682 F\n0.981222 0.800969 0.203045 F\n","nsites":36,"nelements":4,"elements":["K","B","C","F"],"chemical_system":"B-C-F-K","density":2.27578798815223,"density_atomic":0.07011866667404044,"volume":513.4153529666022,"volume_molar":8.588498677527673,"formula_full":"K4 B4 C4 F24","formula_reduced":"KBCF6","formula_anonymous":"ABCD6","energy":-207.91577609,"energy_per_atom":-5.7754382247222225,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-196.82777609,"band_gap":6.828900000000001,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":0.0,"is_theoretical":false,"updated_at":"2021-11-28T01:35:38.721000Z","spacegroup":14},{"id":"mp-1234352","created_at":"2022-09-04T14:41:16.274220Z","structure_string":"Mg1 Ag20 Bi4 O16\n1.0\n6.084592 0.221072 0.136787\n0.324460 8.983791 0.405610\n0.603930 0.577114 13.477898\nMg Ag Bi O\n1 20 4 16\ndirect\n0.750541 0.050787 0.036853 Mg\n0.214151 0.744445 0.123585 Ag\n0.735394 0.753424 0.620073 Ag\n0.006099 0.503420 0.999375 Ag\n0.502592 0.003110 0.501237 Ag\n0.002632 0.128758 0.645599 Ag\n0.420909 0.600153 0.822321 Ag\n0.015838 0.877057 0.355068 Ag\n0.581821 0.390252 0.175351 Ag\n0.590407 0.019582 0.269917 Ag\n0.999960 0.514009 0.254972 Ag\n0.431581 0.982984 0.737207 Ag\n0.011162 0.494882 0.741829 Ag\n0.406252 0.952378 0.970307 Ag\n0.004019 0.504090 0.498272 Ag\n0.265179 0.246551 0.878721 Ag\n0.226341 0.759179 0.619011 Ag\n0.705780 0.733052 0.118315 Ag\n0.791604 0.249824 0.377655 Ag\n0.756759 0.283682 0.873814 Ag\n0.281959 0.254636 0.377099 Ag\n0.508418 0.364562 0.613530 Bi\n0.929637 0.850385 0.857402 Bi\n0.501678 0.640743 0.383364 Bi\n0.114784 0.158585 0.142020 Bi\n0.146186 0.392158 0.132086 O\n0.417087 0.883898 0.380557 O\n0.873333 0.618992 0.866706 O\n0.589829 0.122338 0.620891 O\n0.955031 0.882985 0.687345 O\n0.499759 0.375162 0.784713 O\n0.985406 0.179164 0.974718 O\n0.499799 0.634919 0.554856 O\n0.954614 0.862216 0.040332 O\n0.516389 0.373933 0.440457 O\n0.744282 0.165794 0.156020 O\n0.862989 0.651176 0.375509 O\n0.285528 0.820286 0.846782 O\n0.146257 0.356418 0.620053 O\n0.063743 0.124545 0.310925 O\n0.464689 0.616916 0.209940 O\n","nsites":41,"nelements":4,"elements":["Mg","Ag","Bi","O"],"chemical_system":"Ag-Bi-Mg-O","density":7.409051459857245,"density_atomic":0.05588230085020904,"volume":733.6848944337379,"volume_molar":10.776472457965147,"formula_full":"Mg1 Ag20 Bi4 O16","formula_reduced":"MgAg20(BiO4)4","formula_anonymous":"AB4C16D20","energy":-180.35484777,"energy_per_atom":-4.398898726097561,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-169.36284777000003,"band_gap":0.5695000000000001,"is_gap_direct":true,"is_magnetic":false,"total_magnetization":0.0,"is_theoretical":true,"updated_at":"2021-11-28T01:35:15.584000Z","spacegroup":1},{"id":"mp-973185","created_at":"2022-09-04T14:41:16.073503Z","structure_string":"Sc1 Ag1 O2\n1.0\n6.335058 -1.619426 0.000000\n6.335058 1.619426 0.000000\n5.921085 0.000000 2.774211\nSc Ag O\n1 1 2\ndirect\n0.500000 0.500000 0.500000 Sc\n0.000000 0.000000 0.000000 Ag\n0.111882 0.111882 0.111882 O\n0.888118 0.888118 0.888118 O\n","nsites":4,"nelements":3,"elements":["Sc","Ag","O"],"chemical_system":"Ag-O-Sc","density":5.391675149719102,"density_atomic":0.07027143192078535,"volume":56.92213593297868,"volume_molar":8.569827873706288,"formula_full":"Sc1 Ag1 O2","formula_reduced":"ScAgO2","formula_anonymous":"ABC2","energy":-29.56769834,"energy_per_atom":-7.391924585,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-28.19369834,"band_gap":2.074,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":0.0,"is_theoretical":false,"updated_at":"2021-11-28T01:35:16.669000Z","spacegroup":166},{"id":"mp-1105117","created_at":"2022-09-04T14:42:41.374289Z","structure_string":"Ni6 Sb8 O12 F12\n1.0\n-0.000004 -8.203975 -0.000010\n0.000003 -0.000010 -8.203995\n8.203982 0.000004 -0.000003\nNi Sb O F\n6 8 12 12\ndirect\n0.500000 0.000000 0.500000 Ni\n0.000000 0.500000 0.500000 Ni\n0.500000 0.500000 0.000000 Ni\n0.000000 0.500000 0.000000 Ni\n0.500000 0.000001 0.000000 Ni\n0.000000 0.000000 0.500000 Ni\n0.161922 0.161921 0.838078 Sb\n0.661919 0.661919 0.338081 Sb\n0.338081 0.338081 0.338081 Sb\n0.838079 0.838079 0.838079 Sb\n0.661919 0.338081 0.661919 Sb\n0.161921 0.838079 0.161921 Sb\n0.338081 0.661919 0.661919 Sb\n0.838078 0.161922 0.161922 Sb\n0.000000 0.251972 0.000000 O\n0.500000 0.751945 0.500000 O\n0.748028 0.000000 0.000000 O\n0.248055 0.500000 0.500000 O\n0.000000 0.000000 0.251972 O\n0.500000 0.500000 0.751945 O\n0.000000 0.748028 0.000000 O\n0.500000 0.248055 0.500000 O\n0.251972 0.000000 0.000000 O\n0.751945 0.500000 0.500000 O\n0.000000 0.000000 0.748028 O\n0.500000 0.500000 0.248055 O\n0.000000 0.500000 0.750019 F\n0.500000 0.000000 0.249981 F\n0.000000 0.249981 0.500000 F\n0.500000 0.750019 0.000000 F\n0.249981 0.000000 0.500000 F\n0.750019 0.500000 0.000000 F\n0.500000 0.000000 0.750019 F\n0.000000 0.500000 0.249981 F\n0.249980 0.500000 0.000000 F\n0.750019 0.000000 0.500000 F\n0.500000 0.249981 0.000000 F\n0.000000 0.750019 0.500000 F\n","nsites":38,"nelements":4,"elements":["Ni","Sb","O","F"],"chemical_system":"F-Ni-O-Sb","density":5.251364436454324,"density_atomic":0.06881913070719936,"volume":552.1720429988621,"volume_molar":8.750678333357685,"formula_full":"Ni6 Sb8 O12 F12","formula_reduced":"Ni3Sb4(OF)6","formula_anonymous":"A3B4C6D6","energy":-227.30798427,"energy_per_atom":-5.981789059736842,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-198.27398427,"band_gap":3.04,"is_gap_direct":false,"is_magnetic":true,"total_magnetization":0.0,"is_theoretical":false,"updated_at":"2021-11-28T01:35:50.486000Z","spacegroup":217},{"id":"mp-1518052","created_at":"2022-09-04T14:41:27.280179Z","structure_string":"Ba4 Sr4 Ce4 Sn4 O24\n1.0\n8.561609 0.000000 0.000000\n0.000000 8.573004 0.000000\n0.000000 0.000000 8.574933\nBa Sr Ce Sn O\n4 4 4 4 24\ndirect\n0.000000 0.000000 0.000000 Ba\n0.500000 0.500000 0.500000 Ba\n0.500000 0.000000 0.000000 Ba\n-0.000000 0.000000 0.500000 Ba\n0.000000 0.500000 0.500000 Sr\n0.500000 0.000000 0.500000 Sr\n0.500000 0.500000 0.000000 Sr\n0.000000 0.500000 0.000000 Sr\n0.749965 0.747357 0.749520 Ce\n0.250035 0.252643 0.749520 Ce\n0.250035 0.747357 0.250480 Ce\n0.749965 0.252643 0.250480 Ce\n0.250246 0.252544 0.250474 Sn\n0.749754 0.747456 0.250474 Sn\n0.749754 0.252544 0.749526 Sn\n0.250246 0.747456 0.749526 Sn\n0.007287 0.228596 0.274571 O\n0.992713 0.771404 0.274571 O\n0.992713 0.228596 0.725429 O\n0.007287 0.771404 0.725429 O\n0.272033 0.008494 0.226553 O\n0.272033 0.991506 0.773447 O\n0.727967 0.991506 0.226553 O\n0.727967 0.008494 0.773447 O\n0.218998 0.282814 0.008194 O\n0.781002 0.282814 0.991806 O\n0.218998 0.717186 0.991806 O\n0.781002 0.717186 0.008194 O\n0.491448 0.286071 0.217198 O\n0.508552 0.713929 0.217198 O\n0.508552 0.286071 0.782802 O\n0.491448 0.713929 0.782802 O\n0.217581 0.492483 0.286142 O\n0.217581 0.507517 0.713858 O\n0.782419 0.507517 0.286142 O\n0.782419 0.492483 0.713858 O\n0.286030 0.220874 0.491788 O\n0.713970 0.220874 0.508212 O\n0.286030 0.779126 0.508212 O\n0.713970 0.779126 0.491788 O\n","nsites":40,"nelements":5,"elements":["Ba","Sr","Ce","Sn","O"],"chemical_system":"Ba-Ce-O-Sn-Sr","density":6.118503694667112,"density_atomic":0.06355369997553988,"volume":629.3890051310141,"volume_molar":9.475672954238323,"formula_full":"Ba4 Sr4 Ce4 Sn4 O24","formula_reduced":"BaSrCeSnO6","formula_anonymous":"ABCDE6","energy":-297.40756549,"energy_per_atom":-7.435189137250001,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-280.91956549,"band_gap":2.1779999999999995,"is_gap_direct":true,"is_magnetic":false,"total_magnetization":0.0,"is_theoretical":true,"updated_at":"2021-11-28T01:35:29.722000Z","spacegroup":16},{"id":"mp-1228743","created_at":"2022-09-04T14:43:56.744646Z","structure_string":"Ba4 Mn2 Cu2 P8 O28\n1.0\n-0.006280 -0.019273 7.552615\n5.598014 7.514710 -1.275687\n-5.138961 7.462188 -2.132084\nBa Mn Cu P O\n4 2 2 8 28\ndirect\n0.775349 0.362926 0.568471 Ba\n0.775260 0.862927 0.068418 Ba\n0.222411 0.640072 0.425622 Ba\n0.222366 0.140076 0.925608 Ba\n0.615955 0.605899 0.797977 Mn\n0.615460 0.105850 0.297931 Mn\n0.354358 0.398325 0.203019 Cu\n0.353362 0.898390 0.702739 Cu\n0.731989 0.754038 0.456560 P\n0.731969 0.254028 0.956577 P\n0.266040 0.243059 0.539678 P\n0.266063 0.743012 0.039706 P\n0.816607 0.943085 0.660040 P\n0.816584 0.443063 0.160063 P\n0.187251 0.058333 0.345515 P\n0.187365 0.558265 0.845573 P\n0.851502 0.678909 0.395495 O\n0.851503 0.178875 0.895547 O\n0.158689 0.321886 0.606244 O\n0.158722 0.821769 0.106332 O\n0.619026 0.874025 0.324120 O\n0.619073 0.374033 0.824116 O\n0.378202 0.118657 0.669882 O\n0.378379 0.618693 0.169896 O\n0.869653 0.836646 0.570450 O\n0.869623 0.336628 0.070489 O\n0.121633 0.161256 0.429327 O\n0.121684 0.661150 0.929413 O\n0.285392 0.925898 0.477223 O\n0.285614 0.425887 0.977304 O\n0.731436 0.081485 0.531391 O\n0.731504 0.581494 0.031441 O\n0.329969 0.164246 0.249871 O\n0.330009 0.664289 0.749873 O\n0.673111 0.846391 0.755093 O\n0.673004 0.346414 0.255076 O\n0.608343 0.635985 0.556783 O\n0.608298 0.135986 0.056782 O\n0.388330 0.358234 0.433784 O\n0.388164 0.858253 0.933647 O\n0.990892 0.979476 0.761497 O\n0.990841 0.479416 0.261590 O\n0.024451 0.011365 0.241855 O\n0.024561 0.511303 0.741980 O\n","nsites":44,"nelements":5,"elements":["Ba","Mn","Cu","P","O"],"chemical_system":"Ba-Cu-Mn-O-P","density":4.055379396860451,"density_atomic":0.07250574071946884,"volume":606.8485000413955,"volume_molar":8.305743380100338,"formula_full":"Ba4 Mn2 Cu2 P8 O28","formula_reduced":"Ba2MnCu(P2O7)2","formula_anonymous":"ABC2D4E14","energy":-338.19794677,"energy_per_atom":-7.6863169720454545,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-315.62594677,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":true,"total_magnetization":0.0,"is_theoretical":true,"updated_at":"2021-11-28T01:36:09.921000Z","spacegroup":1}]}