{"count":146323,"next":"https://simmate.org/third-parties/MatprojStructure/?format=json&ordering=nsites&page=10161","previous":"https://simmate.org/third-parties/MatprojStructure/?format=json&ordering=nsites&page=10159","results":[{"id":"mp-555680","created_at":"2022-09-04T14:43:53.218428Z","structure_string":"Sb4 Mo4 O4 F36\n1.0\n10.721811 0.000000 0.000000\n0.000000 7.684971 0.000000\n0.000000 7.150835 9.924943\nSb Mo O F\n4 4 4 36\ndirect\n0.517253 0.904608 0.308625 Sb\n0.017253 0.095392 0.191375 Sb\n0.482747 0.095392 0.691375 Sb\n0.982747 0.904608 0.808625 Sb\n0.687164 0.538448 0.835016 Mo\n0.812836 0.538448 0.335016 Mo\n0.187164 0.461552 0.664984 Mo\n0.312836 0.461552 0.164984 Mo\n0.251180 0.708149 0.083346 O\n0.248820 0.708149 0.583346 O\n0.748820 0.291851 0.916654 O\n0.751180 0.291851 0.416654 O\n0.744680 0.666330 0.660310 F\n0.478081 0.982127 0.876562 F\n0.147441 0.907382 0.219244 F\n0.150878 0.314161 0.157136 F\n0.980889 0.779021 0.995525 F\n0.021919 0.982127 0.376562 F\n0.255320 0.333670 0.339690 F\n0.473267 0.513616 0.193753 F\n0.519111 0.779021 0.495525 F\n0.643685 0.551217 0.977833 F\n0.019111 0.220979 0.004475 F\n0.604100 0.298634 0.660643 F\n0.352559 0.907382 0.719244 F\n0.852559 0.092618 0.780756 F\n0.388131 0.109250 0.278463 F\n0.895900 0.298634 0.160643 F\n0.104100 0.701366 0.839357 F\n0.111869 0.109250 0.778463 F\n0.480889 0.220979 0.504475 F\n0.356315 0.448783 0.022167 F\n0.244680 0.333670 0.839690 F\n0.856315 0.551217 0.477833 F\n0.611869 0.890750 0.721537 F\n0.349122 0.314161 0.657136 F\n0.888131 0.890750 0.221537 F\n0.143685 0.448783 0.522167 F\n0.755320 0.666330 0.160310 F\n0.395900 0.701366 0.339357 F\n0.521919 0.017873 0.123438 F\n0.973267 0.486384 0.306247 F\n0.647441 0.092618 0.280756 F\n0.526733 0.486384 0.806247 F\n0.849122 0.685839 0.842864 F\n0.978081 0.017873 0.623438 F\n0.650878 0.685839 0.342864 F\n0.026733 0.513616 0.693753 F\n","nsites":48,"nelements":4,"elements":["Sb","Mo","O","F"],"chemical_system":"F-Mo-O-Sb","density":3.2869100953729067,"density_atomic":0.058695233649743966,"volume":817.7836089116477,"volume_molar":10.260016675180692,"formula_full":"Sb4 Mo4 O4 F36","formula_reduced":"SbMoOF9","formula_anonymous":"ABCD9","energy":-270.98352144,"energy_per_atom":-5.64549003,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-238.79552144,"band_gap":3.775,"is_gap_direct":true,"is_magnetic":false,"total_magnetization":0.0027225,"is_theoretical":false,"updated_at":"2021-11-28T01:36:20.941000Z","spacegroup":14},{"id":"mp-1201905","created_at":"2022-09-04T14:44:00.513590Z","structure_string":"Lu12 Ge24 Os12\n1.0\n0.000000 0.000000 8.355335\n9.633030 0.000000 0.000000\n0.000000 10.552519 0.000000\nLu Ge Os\n12 24 12\ndirect\n0.245598 0.822561 0.449653 Lu\n0.245598 0.177439 0.550347 Lu\n0.754402 0.322561 0.050347 Lu\n0.754402 0.677439 0.949653 Lu\n0.754402 0.177439 0.550347 Lu\n0.754402 0.822561 0.449653 Lu\n0.245598 0.677439 0.949653 Lu\n0.245598 0.322561 0.050347 Lu\n0.000000 0.835498 0.177109 Lu\n0.000000 0.164502 0.822891 Lu\n0.000000 0.335498 0.322891 Lu\n0.000000 0.664502 0.677109 Lu\n0.347477 0.842766 0.180039 Ge\n0.347477 0.157234 0.819961 Ge\n0.652523 0.342766 0.319961 Ge\n0.652523 0.657234 0.680039 Ge\n0.652523 0.157234 0.819961 Ge\n0.652523 0.842766 0.180039 Ge\n0.347477 0.657234 0.680039 Ge\n0.347477 0.342766 0.319961 Ge\n0.500000 0.547600 0.116941 Ge\n0.500000 0.452400 0.883059 Ge\n0.500000 0.047600 0.383059 Ge\n0.500000 0.952400 0.616941 Ge\n0.000000 0.535999 0.117851 Ge\n0.000000 0.464001 0.882149 Ge\n0.000000 0.035999 0.382149 Ge\n0.000000 0.964001 0.617851 Ge\n0.500000 0.627542 0.404696 Ge\n0.500000 0.372458 0.595304 Ge\n0.500000 0.127542 0.095304 Ge\n0.500000 0.872458 0.904696 Ge\n0.000000 0.630899 0.399923 Ge\n0.000000 0.369101 0.600077 Ge\n0.000000 0.130899 0.100077 Ge\n0.000000 0.869101 0.899923 Ge\n0.249860 0.589503 0.236413 Os\n0.249860 0.410497 0.763587 Os\n0.750140 0.089503 0.263587 Os\n0.750140 0.910497 0.736413 Os\n0.750140 0.410497 0.763587 Os\n0.750140 0.589503 0.236413 Os\n0.249860 0.910497 0.736413 Os\n0.249860 0.089503 0.263587 Os\n0.248313 0.500000 0.500000 Os\n0.751687 0.000000 0.000000 Os\n0.751687 0.500000 0.500000 Os\n0.248313 0.000000 0.000000 Os\n","nsites":48,"nelements":3,"elements":["Lu","Ge","Os"],"chemical_system":"Ge-Lu-Os","density":11.976325748104207,"density_atomic":0.056514295035913514,"volume":849.3426303822267,"volume_molar":10.655960153396713,"formula_full":"Lu12 Ge24 Os12","formula_reduced":"LuGe2Os","formula_anonymous":"ABC2","energy":-325.04394757,"energy_per_atom":-6.771748907708333,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-325.04394757,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":0.0016442,"is_theoretical":false,"updated_at":"2021-11-28T01:36:32.973000Z","spacegroup":55},{"id":"mp-21964","created_at":"2022-09-04T14:43:55.838350Z","structure_string":"Tl4 Cu28 S16\n1.0\n10.217473 0.000000 0.000000\n0.000000 10.217473 0.000000\n0.000000 0.000000 7.578180\nTl Cu S\n4 28 16\ndirect\n0.000000 0.500000 0.378198 Tl\n0.500000 0.000000 0.621802 Tl\n0.000000 0.500000 0.883341 Tl\n0.500000 0.000000 0.116659 Tl\n0.750000 0.250000 0.000000 Cu\n0.750000 0.750000 0.000000 Cu\n0.250000 0.250000 0.000000 Cu\n0.250000 0.750000 0.000000 Cu\n0.697369 0.726475 0.344743 Cu\n0.226475 0.802631 0.344743 Cu\n0.773525 0.197369 0.344743 Cu\n0.302631 0.273525 0.344743 Cu\n0.802631 0.773525 0.655257 Cu\n0.273525 0.697369 0.655257 Cu\n0.726475 0.302631 0.655257 Cu\n0.197369 0.226475 0.655257 Cu\n0.132462 0.978674 0.119416 Cu\n0.478674 0.367538 0.119416 Cu\n0.521326 0.632462 0.119416 Cu\n0.867538 0.021326 0.119416 Cu\n0.367538 0.521326 0.880584 Cu\n0.021326 0.132462 0.880584 Cu\n0.978674 0.867538 0.880584 Cu\n0.632462 0.478674 0.880584 Cu\n0.359936 0.532463 0.387065 Cu\n0.032463 0.140064 0.387065 Cu\n0.967537 0.859936 0.387065 Cu\n0.640064 0.467537 0.387065 Cu\n0.140064 0.967537 0.612935 Cu\n0.467537 0.359936 0.612935 Cu\n0.532463 0.640064 0.612935 Cu\n0.859936 0.032463 0.612935 Cu\n0.939898 0.239280 0.133231 S\n0.739280 0.560102 0.133231 S\n0.260720 0.439898 0.133231 S\n0.060102 0.760720 0.133231 S\n0.560102 0.260720 0.866769 S\n0.760720 0.939898 0.866769 S\n0.239280 0.060102 0.866769 S\n0.439898 0.739280 0.866769 S\n0.561861 0.259698 0.368894 S\n0.759698 0.938139 0.368894 S\n0.240302 0.061861 0.368894 S\n0.438139 0.740302 0.368894 S\n0.938139 0.240302 0.631106 S\n0.740302 0.561861 0.631106 S\n0.259698 0.438139 0.631106 S\n0.061861 0.759698 0.631106 S\n","nsites":48,"nelements":3,"elements":["Tl","Cu","S"],"chemical_system":"Cu-S-Tl","density":6.527369371606689,"density_atomic":0.060672141373119784,"volume":791.1373970602255,"volume_molar":9.925709928326432,"formula_full":"Tl4 Cu28 S16","formula_reduced":"TlCu7S4","formula_anonymous":"AB4C7","energy":-206.18743099,"energy_per_atom":-4.295571478958333,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-198.13943099,"band_gap":0.3106999999999997,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":0.000338,"is_theoretical":false,"updated_at":"2021-11-28T01:36:11.763000Z","spacegroup":85},{"id":"mp-758180","created_at":"2022-09-04T14:43:51.010085Z","structure_string":"Cs4 Si12 H4 O28\n1.0\n4.993215 0.000000 0.000000\n0.000000 10.548351 0.000000\n0.000000 0.000000 14.398657\nCs Si H O\n4 12 4 28\ndirect\n0.030627 0.081235 0.749865 Cs\n0.469373 0.918765 0.249865 Cs\n0.530627 0.418765 0.250135 Cs\n0.969373 0.581235 0.750135 Cs\n0.021156 0.916094 0.007790 Si\n0.025830 0.651304 0.107658 Si\n0.102953 0.203843 0.055845 Si\n0.397047 0.796157 0.555845 Si\n0.474170 0.348696 0.607658 Si\n0.478844 0.083906 0.507790 Si\n0.521156 0.583906 0.992210 Si\n0.525830 0.848696 0.892342 Si\n0.602953 0.296157 0.944155 Si\n0.897047 0.703843 0.444155 Si\n0.974170 0.151304 0.392342 Si\n0.978844 0.416094 0.492210 Si\n0.026820 0.695698 0.286822 H\n0.473180 0.304302 0.786822 H\n0.526820 0.804302 0.713178 H\n0.973180 0.195698 0.213178 H\n0.025867 0.259460 0.156927 O\n0.054352 0.805748 0.086479 O\n0.093163 0.750317 0.528819 O\n0.098710 0.619674 0.212258 O\n0.100722 0.047650 0.059555 O\n0.213780 0.889162 0.918148 O\n0.213880 0.576717 0.030030 O\n0.286120 0.423283 0.530030 O\n0.286220 0.110838 0.418148 O\n0.399278 0.952350 0.559555 O\n0.401290 0.380326 0.712258 O\n0.406837 0.249683 0.028819 O\n0.445648 0.194252 0.586479 O\n0.474133 0.740540 0.656927 O\n0.525867 0.240540 0.843073 O\n0.554352 0.694252 0.913521 O\n0.593163 0.749683 0.471181 O\n0.598710 0.880326 0.787742 O\n0.600722 0.452350 0.940445 O\n0.713780 0.610838 0.081852 O\n0.713880 0.923283 0.969970 O\n0.786120 0.076717 0.469970 O\n0.786220 0.389162 0.581852 O\n0.899278 0.547650 0.440445 O\n0.901290 0.119674 0.287742 O\n0.906837 0.250317 0.971181 O\n0.945648 0.305748 0.413521 O\n0.974133 0.759460 0.343073 O\n","nsites":48,"nelements":4,"elements":["Cs","Si","H","O"],"chemical_system":"Cs-H-O-Si","density":2.891706467939866,"density_atomic":0.06329281504328571,"volume":758.3799198561951,"volume_molar":9.514730472774012,"formula_full":"Cs4 Si12 H4 O28","formula_reduced":"CsSi3HO7","formula_anonymous":"ABC3D7","energy":-360.33909849,"energy_per_atom":-7.5070645518750005,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-341.10309849,"band_gap":4.7963000000000005,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":0.0016468,"is_theoretical":false,"updated_at":"2021-11-28T01:36:18.603000Z","spacegroup":19},{"id":"mp-757840","created_at":"2022-09-04T14:43:53.832700Z","structure_string":"Ba12 Pt9 O27\n1.0\n-8.761696 0.000000 0.000000\n0.033056 10.195563 0.000000\n-0.009877 -5.032552 -8.918516\nBa Pt O\n12 9 27\ndirect\n0.252224 0.322111 0.996067 Ba\n0.001019 0.640491 0.007102 Ba\n0.505483 0.659514 0.007825 Ba\n0.249730 0.678369 0.697464 Ba\n0.251519 0.024383 0.339114 Ba\n0.750468 0.702106 0.674425 Ba\n0.999799 0.354119 0.356849 Ba\n0.503130 0.334695 0.340745 Ba\n0.496928 0.006785 0.670510 Ba\n0.002107 0.006648 0.659460 Ba\n0.748272 0.327421 0.020931 Ba\n0.747922 0.996865 0.333052 Ba\n0.754253 0.411446 0.741258 Pt\n0.336886 0.999214 0.996900 Pt\n0.659025 0.999853 0.997946 Pt\n0.093122 0.334618 0.663361 Pt\n0.415939 0.337071 0.664797 Pt\n0.247547 0.734669 0.406956 Pt\n0.908270 0.656344 0.329563 Pt\n0.585431 0.659702 0.330898 Pt\n0.996917 0.999907 0.076132 Pt\n0.497605 0.149021 0.003964 O\n0.771766 0.009265 0.827504 O\n0.571710 0.332709 0.809695 O\n0.936070 0.327111 0.807328 O\n0.255879 0.490002 0.829605 O\n0.254586 0.188146 0.662754 O\n0.815283 0.850561 0.999939 O\n0.939554 0.492422 0.673887 O\n0.498575 0.851595 0.852256 O\n0.571453 0.491694 0.673267 O\n0.977930 0.166068 0.490117 O\n0.226524 0.000690 0.823474 O\n0.528573 0.171573 0.490678 O\n0.254786 0.350176 0.521902 O\n0.432671 0.665230 0.484707 O\n0.060555 0.667240 0.487533 O\n0.744199 0.514624 0.343671 O\n0.749798 0.820609 0.481568 O\n0.811078 0.146195 0.155584 O\n0.182960 0.148543 0.148337 O\n0.021547 0.477858 0.161801 O\n0.470002 0.489787 0.162376 O\n0.066529 0.801644 0.325373 O\n0.428915 0.805948 0.329181 O\n0.747395 0.659636 0.182545 O\n0.499484 0.994364 0.150791 O\n0.178579 0.852060 0.001511 O\n","nsites":48,"nelements":3,"elements":["Ba","Pt","O"],"chemical_system":"Ba-O-Pt","density":7.994616623857982,"density_atomic":0.06024891751701056,"volume":796.6948117606889,"volume_molar":9.995433956634525,"formula_full":"Ba12 Pt9 O27","formula_reduced":"Ba4(PtO3)3","formula_anonymous":"A3B4C9","energy":-310.87218507,"energy_per_atom":-6.476503855625,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-292.32318507,"band_gap":1.5953000000000004,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":0.0008335,"is_theoretical":true,"updated_at":"2021-11-28T01:36:19.771000Z","spacegroup":1},{"id":"mp-1178443","created_at":"2022-09-04T14:43:59.337689Z","structure_string":"Co12 Bi4 O32\n1.0\n8.365783 0.000000 0.000000\n0.000000 8.308354 0.000000\n0.000000 0.001102 8.341122\nCo Bi O\n12 4 32\ndirect\n0.895837 0.123813 0.601780 Co\n0.874192 0.351464 0.353694 Co\n0.852249 0.601446 0.127345 Co\n0.647349 0.102545 0.374915 Co\n0.627088 0.852596 0.148768 Co\n0.604376 0.625773 0.895127 Co\n0.395837 0.876187 0.398220 Co\n0.374192 0.648536 0.646306 Co\n0.352249 0.398554 0.872655 Co\n0.147349 0.897455 0.625085 Co\n0.127088 0.147404 0.851232 Co\n0.104376 0.374227 0.104873 Co\n0.876127 0.873093 0.877208 Bi\n0.623883 0.375297 0.627132 Bi\n0.376127 0.126907 0.122792 Bi\n0.123883 0.624703 0.372868 Bi\n0.921260 0.896018 0.614181 O\n0.897013 0.135284 0.828208 O\n0.875641 0.378869 0.132285 O\n0.887013 0.350012 0.580205 O\n0.862577 0.578991 0.355241 O\n0.873057 0.127678 0.379913 O\n0.854335 0.828804 0.139810 O\n0.830738 0.612816 0.901489 O\n0.673207 0.111559 0.601507 O\n0.650107 0.328470 0.365935 O\n0.631549 0.629799 0.124306 O\n0.637301 0.078440 0.148653 O\n0.617053 0.853789 0.922624 O\n0.622220 0.873679 0.370665 O\n0.599563 0.638904 0.670020 O\n0.579642 0.400263 0.885416 O\n0.421260 0.103982 0.385819 O\n0.397013 0.864716 0.171792 O\n0.375641 0.621131 0.867715 O\n0.387013 0.649988 0.419795 O\n0.362577 0.421009 0.644759 O\n0.373057 0.872322 0.620087 O\n0.354335 0.171196 0.860190 O\n0.330738 0.387184 0.098511 O\n0.173207 0.888441 0.398493 O\n0.150107 0.671530 0.634065 O\n0.131549 0.370201 0.875694 O\n0.137301 0.921560 0.851347 O\n0.117053 0.146211 0.077376 O\n0.122220 0.126321 0.629335 O\n0.099563 0.361096 0.329980 O\n0.079642 0.599737 0.114584 O\n","nsites":48,"nelements":3,"elements":["Co","Bi","O"],"chemical_system":"Bi-Co-O","density":5.886215417922717,"density_atomic":0.0827932967669416,"volume":579.7570802756806,"volume_molar":7.273705716722432,"formula_full":"Co12 Bi4 O32","formula_reduced":"Co3BiO8","formula_anonymous":"AB3C8","energy":-313.29964709,"energy_per_atom":-6.5270759810416665,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-271.65964709,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":true,"total_magnetization":8.0000336,"is_theoretical":true,"updated_at":"2021-11-28T01:36:11.415000Z","spacegroup":4},{"id":"mp-758328","created_at":"2022-09-04T14:43:48.467798Z","structure_string":"Li2 Mn6 Al4 H12 O24\n1.0\n-5.969091 0.000000 0.000000\n1.573676 7.638117 0.000000\n-0.129231 -3.438647 -9.515994\nLi Mn Al H O\n2 6 4 12 24\ndirect\n0.920731 0.156744 0.503158 Li\n0.079269 0.843256 0.496842 Li\n0.920614 0.168164 0.003000 Mn\n0.579228 0.831939 0.996583 Mn\n0.748686 0.498708 0.998649 Mn\n0.420772 0.168061 0.003417 Mn\n0.079386 0.831836 0.997000 Mn\n0.251314 0.501292 0.001351 Mn\n0.586404 0.836799 0.496805 Al\n0.756204 0.501671 0.501266 Al\n0.413596 0.163201 0.503195 Al\n0.243796 0.498329 0.498734 Al\n0.998720 0.498532 0.711634 H\n0.812125 0.843801 0.289197 H\n0.001280 0.501468 0.288366 H\n0.644131 0.139413 0.709511 H\n0.812818 0.805846 0.703084 H\n0.662448 0.193125 0.300784 H\n0.492391 0.487690 0.709679 H\n0.355869 0.860587 0.290489 H\n0.507609 0.512310 0.290321 H\n0.187875 0.156199 0.710803 H\n0.337552 0.806875 0.699216 H\n0.187182 0.194154 0.296916 H\n0.849558 0.899593 0.897003 O\n0.007787 0.570252 0.892793 O\n0.989410 0.462583 0.607407 O\n0.828092 0.882805 0.391867 O\n0.992213 0.429748 0.107207 O\n0.010590 0.537417 0.392593 O\n0.629008 0.093376 0.606602 O\n0.677243 0.229728 0.897283 O\n0.792471 0.758057 0.600434 O\n0.665119 0.245446 0.404829 O\n0.811474 0.770433 0.098850 O\n0.644038 0.098186 0.104255 O\n0.505929 0.570677 0.890959 O\n0.485894 0.438376 0.604866 O\n0.355962 0.901814 0.895745 O\n0.514106 0.561624 0.395134 O\n0.494071 0.429323 0.109041 O\n0.370992 0.906624 0.393398 O\n0.188526 0.229567 0.901150 O\n0.171908 0.117195 0.608133 O\n0.334881 0.754554 0.595171 O\n0.207529 0.241943 0.399566 O\n0.150442 0.100407 0.102997 O\n0.322757 0.770272 0.102717 O\n","nsites":48,"nelements":5,"elements":["Li","Mn","Al","H","O"],"chemical_system":"Al-H-Li-Mn-O","density":3.243762178981899,"density_atomic":0.11063500795537395,"volume":433.85905498702016,"volume_molar":5.443250623192532,"formula_full":"Li2 Mn6 Al4 H12 O24","formula_reduced":"LiMn3Al2(HO2)6","formula_anonymous":"AB2C3D6E12","energy":-330.39131552,"energy_per_atom":-6.8831524066666665,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-303.89531552,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":true,"total_magnetization":19.9996882,"is_theoretical":true,"updated_at":"2021-11-28T01:36:12.851000Z","spacegroup":2},{"id":"mp-1080634","created_at":"2022-09-04T14:42:54.234506Z","structure_string":"Ce16 Se32\n1.0\n9.270986 -9.270986 0.000000\n9.270986 9.270986 0.000000\n-9.270986 -0.000000 23.534196\nCe Se\n16 32\ndirect\n0.433841 0.183841 0.250000 Ce\n0.433841 0.566159 0.250000 Ce\n0.183841 0.433841 0.750000 Ce\n0.183841 0.816159 0.750000 Ce\n0.816159 0.183841 0.250000 Ce\n0.816159 0.566159 0.250000 Ce\n0.566159 0.433841 0.750000 Ce\n0.566159 0.816159 0.750000 Ce\n0.986465 0.943385 0.386770 Ce\n0.943385 0.986465 0.886770 Ce\n0.943385 0.400306 0.886770 Ce\n0.400306 0.943385 0.386770 Ce\n0.013535 0.056615 0.613230 Ce\n0.056615 0.013535 0.113230 Ce\n0.056615 0.599694 0.113230 Ce\n0.599694 0.056615 0.613230 Ce\n0.437303 0.095614 0.336736 Se\n0.437303 0.741122 0.336736 Se\n0.095614 0.437303 0.836736 Se\n0.095614 0.899432 0.836736 Se\n0.899432 0.095614 0.336736 Se\n0.899432 0.741122 0.336736 Se\n0.741122 0.437303 0.836736 Se\n0.741122 0.899432 0.836736 Se\n0.562697 0.904386 0.663264 Se\n0.562697 0.258878 0.663264 Se\n0.904386 0.562697 0.163264 Se\n0.904386 0.100568 0.163264 Se\n0.100568 0.904386 0.663264 Se\n0.100568 0.258878 0.663264 Se\n0.258878 0.562697 0.163264 Se\n0.258878 0.100568 0.163264 Se\n0.132229 0.604383 0.708765 Se\n0.604383 0.132229 0.208765 Se\n0.604383 0.576536 0.208765 Se\n0.576536 0.604383 0.708765 Se\n0.867771 0.395617 0.291235 Se\n0.395617 0.867771 0.791235 Se\n0.395617 0.423464 0.791235 Se\n0.423464 0.395617 0.291235 Se\n0.190386 0.940386 0.380773 Se\n0.940386 0.190386 0.880773 Se\n0.809614 0.059614 0.619227 Se\n0.059614 0.809614 0.119227 Se\n0.000000 0.000000 0.500000 Se\n0.000000 0.000000 0.000000 Se\n0.000000 0.500000 0.000000 Se\n0.500000 0.000000 0.500000 Se\n","nsites":48,"nelements":2,"elements":["Ce","Se"],"chemical_system":"Ce-Se","density":1.9572963845560556,"density_atomic":0.011864789160613851,"volume":4045.5838995723557,"volume_molar":50.75640770753006,"formula_full":"Ce16 Se32","formula_reduced":"CeSe2","formula_anonymous":"AB2","energy":-273.69079263,"energy_per_atom":-5.701891513124999,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-258.58679263,"band_gap":0.9904000000000002,"is_gap_direct":true,"is_magnetic":false,"total_magnetization":2.43e-05,"is_theoretical":true,"updated_at":"2021-11-28T01:35:57.298000Z","spacegroup":141},{"id":"mp-1352191","created_at":"2022-09-04T14:42:53.779911Z","structure_string":"Sn16 O32\n1.0\n3.296953 5.119562 0.000000\n-3.296953 5.119562 0.000000\n0.000000 4.501245 20.454276\nSn O\n16 32\ndirect\n0.612677 0.112940 0.122603 Sn\n0.227408 0.227408 0.252003 Sn\n0.112940 0.612677 0.122603 Sn\n0.146318 0.146318 0.532894 Sn\n0.836850 0.340989 0.382479 Sn\n0.727236 0.727236 0.251951 Sn\n0.419160 0.419160 0.777865 Sn\n0.340989 0.836850 0.382479 Sn\n0.124810 0.624567 0.624315 Sn\n0.820730 0.820730 0.472538 Sn\n0.624567 0.124810 0.624315 Sn\n0.897963 0.402820 0.865710 Sn\n0.402820 0.897963 0.865710 Sn\n0.102887 0.102887 0.713750 Sn\n0.997776 0.997776 0.992775 Sn\n0.501235 0.501235 0.993777 Sn\n0.289416 0.792804 0.051350 O\n0.904977 0.904977 0.180253 O\n0.792804 0.289416 0.051350 O\n0.819619 0.819619 0.064716 O\n0.405775 0.405775 0.180200 O\n0.517674 0.018957 0.309221 O\n0.433868 0.934810 0.194087 O\n0.151798 0.151798 0.436073 O\n0.018957 0.517674 0.309221 O\n0.321480 0.321480 0.064572 O\n0.050417 0.050417 0.325887 O\n0.934810 0.433868 0.194087 O\n0.800765 0.315907 0.563531 O\n0.660670 0.660670 0.431843 O\n0.649269 0.164200 0.442603 O\n0.427912 0.427912 0.680031 O\n0.315907 0.800765 0.563531 O\n0.550359 0.550359 0.325182 O\n0.309942 0.309942 0.573200 O\n0.164200 0.649269 0.442603 O\n0.936711 0.936711 0.676360 O\n0.077731 0.593718 0.809094 O\n0.934204 0.449796 0.686093 O\n0.683635 0.683635 0.924297 O\n0.593718 0.077731 0.809094 O\n0.821276 0.821276 0.569479 O\n0.585009 0.585009 0.813892 O\n0.449796 0.934204 0.686093 O\n0.181184 0.181184 0.923802 O\n0.215941 0.712900 0.934671 O\n0.092658 0.092658 0.810924 O\n0.712900 0.215941 0.934671 O\n","nsites":48,"nelements":2,"elements":["Sn","O"],"chemical_system":"O-Sn","density":5.79893207284995,"density_atomic":0.06951548657898397,"volume":690.4936203742467,"volume_molar":8.663020366199412,"formula_full":"Sn16 O32","formula_reduced":"SnO2","formula_anonymous":"AB2","energy":-312.94738923,"energy_per_atom":-6.519737275625,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-290.96338923,"band_gap":0.7794999999999996,"is_gap_direct":true,"is_magnetic":false,"total_magnetization":0.0050567,"is_theoretical":true,"updated_at":"2021-11-28T01:35:56.358000Z","spacegroup":8},{"id":"mp-1203636","created_at":"2022-09-04T14:42:53.017968Z","structure_string":"Ba4 Pr8 In8 O28\n1.0\n5.990618 0.000000 0.000000\n0.000000 5.990618 0.000000\n0.000000 0.000000 20.848555\nBa Pr In O\n4 8 8 28\ndirect\n0.238384 0.761616 0.500000 Ba\n0.761616 0.238384 0.500000 Ba\n0.261616 0.261616 0.000000 Ba\n0.738384 0.738384 0.000000 Ba\n0.221312 0.778688 0.314400 Pr\n0.778688 0.221312 0.314400 Pr\n0.278688 0.278688 0.814400 Pr\n0.721312 0.721312 0.814400 Pr\n0.778688 0.221312 0.685600 Pr\n0.221312 0.778688 0.685600 Pr\n0.721312 0.721312 0.185600 Pr\n0.278688 0.278688 0.185600 Pr\n0.240242 0.759758 0.102852 In\n0.759758 0.240242 0.102852 In\n0.259758 0.259758 0.602852 In\n0.740242 0.740242 0.602852 In\n0.759758 0.240242 0.897148 In\n0.240242 0.759758 0.897148 In\n0.740242 0.740242 0.397148 In\n0.259758 0.259758 0.397148 In\n0.297614 0.297614 0.500000 O\n0.702386 0.702386 0.500000 O\n0.202386 0.797614 0.000000 O\n0.797614 0.202386 0.000000 O\n0.319047 0.680953 0.211073 O\n0.680953 0.319047 0.211073 O\n0.180953 0.180953 0.711073 O\n0.819047 0.819047 0.711073 O\n0.680953 0.319047 0.788927 O\n0.319047 0.680953 0.788927 O\n0.819047 0.819047 0.288927 O\n0.180953 0.180953 0.288927 O\n0.000000 0.500000 0.382370 O\n0.500000 0.000000 0.882370 O\n0.000000 0.500000 0.617630 O\n0.500000 0.000000 0.117630 O\n0.500000 0.000000 0.382370 O\n0.000000 0.500000 0.882370 O\n0.500000 0.000000 0.617630 O\n0.000000 0.500000 0.117630 O\n0.500000 0.500000 0.363223 O\n0.000000 0.000000 0.863223 O\n0.500000 0.500000 0.636777 O\n0.000000 0.000000 0.136777 O\n0.500000 0.500000 0.091150 O\n0.000000 0.000000 0.591150 O\n0.500000 0.500000 0.908850 O\n0.000000 0.000000 0.408850 O\n","nsites":48,"nelements":4,"elements":["Ba","Pr","In","O"],"chemical_system":"Ba-In-O-Pr","density":6.753759537966493,"density_atomic":0.06415374647094141,"volume":748.2026014138038,"volume_molar":9.387044547316878,"formula_full":"Ba4 Pr8 In8 O28","formula_reduced":"BaPr2In2O7","formula_anonymous":"AB2C2D7","energy":-344.65936465,"energy_per_atom":-7.180403430208333,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-325.42336465,"band_gap":2.4082,"is_gap_direct":true,"is_magnetic":false,"total_magnetization":0.0001623,"is_theoretical":false,"updated_at":"2021-11-28T01:35:51.646000Z","spacegroup":136},{"id":"mp-572284","created_at":"2022-09-04T14:42:54.075470Z","structure_string":"Sb4 Xe4 O4 F36\n1.0\n8.889668 0.000000 0.000000\n-2.383606 9.733566 0.000000\n-0.625629 -3.773797 9.763747\nSb Xe O F\n4 4 4 36\ndirect\n0.924021 0.755179 0.255451 Sb\n0.444991 0.777178 0.589836 Sb\n0.075979 0.244821 0.744549 Sb\n0.555009 0.222822 0.410164 Sb\n0.544901 0.220013 0.866757 Xe\n0.923340 0.793864 0.722817 Xe\n0.455099 0.779987 0.133243 Xe\n0.076660 0.206136 0.277183 Xe\n0.900986 0.145697 0.151075 O\n0.711156 0.203776 0.964907 O\n0.288844 0.796224 0.035093 O\n0.099014 0.854303 0.848925 O\n0.437015 0.013912 0.307750 F\n0.528814 0.643662 0.979827 F\n0.299396 0.250234 0.758095 F\n0.129441 0.453061 0.808421 F\n0.922091 0.759560 0.075814 F\n0.982619 0.615191 0.609787 F\n0.086953 0.231463 0.558921 F\n0.477719 0.814428 0.424489 F\n0.823877 0.936338 0.847613 F\n0.176123 0.063662 0.152387 F\n0.613559 0.933414 0.092011 F\n0.967184 0.972393 0.324292 F\n0.342922 0.576467 0.490010 F\n0.017381 0.384809 0.390213 F\n0.386441 0.066586 0.907989 F\n0.522281 0.185572 0.575511 F\n0.913047 0.768537 0.441079 F\n0.657078 0.423533 0.509990 F\n0.348267 0.260497 0.411676 F\n0.740970 0.159427 0.403778 F\n0.665186 0.408933 0.851168 F\n0.870559 0.546939 0.191579 F\n0.784374 0.650341 0.786630 F\n0.077909 0.240440 0.924186 F\n0.434675 0.751487 0.760561 F\n0.259030 0.840573 0.596222 F\n0.856529 0.221506 0.718181 F\n0.700604 0.749766 0.241905 F\n0.471186 0.356338 0.020173 F\n0.215626 0.349659 0.213370 F\n0.143471 0.778494 0.281819 F\n0.565325 0.248513 0.239439 F\n0.334814 0.591067 0.148832 F\n0.032816 0.027607 0.675708 F\n0.651733 0.739503 0.588324 F\n0.562985 0.986088 0.692250 F\n","nsites":48,"nelements":4,"elements":["Sb","Xe","O","F"],"chemical_system":"F-O-Sb-Xe","density":3.4595950109005362,"density_atomic":0.05681554803502458,"volume":844.8391621675437,"volume_molar":10.59945907111128,"formula_full":"Sb4 Xe4 O4 F36","formula_reduced":"SbXeOF9","formula_anonymous":"ABCD9","energy":-179.97598014,"energy_per_atom":-3.74949958625,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-160.59598014,"band_gap":2.2831,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":6.7e-06,"is_theoretical":false,"updated_at":"2021-11-28T01:35:54.546000Z","spacegroup":2},{"id":"mp-695805","created_at":"2022-09-04T14:42:53.007180Z","structure_string":"Li8 Fe4 P8 O28\n1.0\n5.099033 -0.032589 0.173828\n0.043511 6.538874 11.055825\n-0.028936 -6.444743 5.548792\nLi Fe P O\n8 4 8 28\ndirect\n0.231219 0.683143 0.881230 Li\n0.230631 0.183259 0.381307 Li\n0.769111 0.316702 0.118614 Li\n0.768621 0.816819 0.618860 Li\n0.293787 0.918250 0.077282 Li\n0.293411 0.418044 0.577327 Li\n0.706595 0.081970 0.922635 Li\n0.706371 0.581770 0.422695 Li\n0.766642 0.020727 0.258861 Fe\n0.233410 0.479247 0.241151 Fe\n0.766699 0.520785 0.758803 Fe\n0.233459 0.979175 0.741188 Fe\n0.219234 0.147508 0.031542 P\n0.219054 0.647381 0.531505 P\n0.781016 0.852626 0.968531 P\n0.780813 0.352506 0.468397 P\n0.717930 0.624333 0.073529 P\n0.717499 0.124216 0.573575 P\n0.282423 0.375774 0.926420 P\n0.282039 0.875670 0.426522 P\n0.078500 0.850659 0.931809 O\n0.078368 0.350424 0.431871 O\n0.921685 0.149613 0.067995 O\n0.921538 0.649331 0.568174 O\n0.281868 0.252790 0.902722 O\n0.281180 0.752677 0.402695 O\n0.718963 0.747326 0.097325 O\n0.718346 0.247203 0.597212 O\n0.573188 0.402517 0.929314 O\n0.572818 0.902322 0.429575 O\n0.427077 0.597744 0.070585 O\n0.426674 0.097549 0.570751 O\n0.612614 0.355801 0.321224 O\n0.612511 0.855919 0.821478 O\n0.387455 0.644116 0.678603 O\n0.387400 0.144239 0.178727 O\n0.859244 0.564817 0.219959 O\n0.859053 0.064747 0.719919 O\n0.140889 0.435198 0.780027 O\n0.140799 0.935175 0.280048 O\n0.696561 0.439529 0.564680 O\n0.696817 0.939666 0.064847 O\n0.303325 0.560347 0.435209 O\n0.303542 0.060462 0.935308 O\n0.134644 0.379673 0.085046 O\n0.134091 0.879511 0.585114 O\n0.865757 0.620448 0.914915 O\n0.865130 0.120292 0.414893 O\n","nsites":48,"nelements":4,"elements":["Li","Fe","P","O"],"chemical_system":"Fe-Li-O-P","density":2.9517048790403364,"density_atomic":0.08753917331206505,"volume":548.3259457898538,"volume_molar":6.879366724805477,"formula_full":"Li8 Fe4 P8 O28","formula_reduced":"Li2FeP2O7","formula_anonymous":"AB2C2D7","energy":-353.70204556,"energy_per_atom":-7.368792615833333,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-325.44204556,"band_gap":4.2488,"is_gap_direct":false,"is_magnetic":true,"total_magnetization":5.4e-06,"is_theoretical":true,"updated_at":"2021-11-28T01:35:59.817000Z","spacegroup":2}]}