{"count":146323,"next":"https://simmate.org/third-parties/MatprojStructure/?format=json&ordering=-formation_energy&page=106","previous":"https://simmate.org/third-parties/MatprojStructure/?format=json&ordering=-formation_energy&page=104","results":[{"id":"mp-1210718","created_at":"2022-09-04T14:39:31.419793Z","structure_string":"Mg4 Al8 Si4 O28\n1.0\n2.791168 4.805895 0.000000\n-2.791168 4.805895 0.000000\n0.000000 3.394827 17.411106\nMg Al Si O\n4 8 4 28\ndirect\n0.663048 0.174788 0.000611 Mg\n0.336952 0.825212 0.999389 Mg\n0.825212 0.336952 0.499389 Mg\n0.174788 0.663048 0.500611 Mg\n0.402152 0.098306 0.750565 Al\n0.597848 0.901694 0.249435 Al\n0.901694 0.597848 0.749435 Al\n0.098306 0.402152 0.250565 Al\n0.500000 0.000000 0.500000 Al\n0.000000 0.500000 0.000000 Al\n0.900656 0.099344 0.750000 Al\n0.099344 0.900656 0.250000 Al\n0.437390 0.631060 0.656052 Si\n0.562610 0.368940 0.343948 Si\n0.368940 0.562610 0.843948 Si\n0.631060 0.437390 0.156052 Si\n0.542612 0.249864 0.813147 O\n0.457388 0.750136 0.186853 O\n0.750136 0.457388 0.686853 O\n0.249864 0.542612 0.313147 O\n0.540479 0.738384 0.813308 O\n0.459521 0.261616 0.186692 O\n0.261616 0.459521 0.686692 O\n0.738384 0.540479 0.313308 O\n0.751703 0.948482 0.701358 O\n0.248297 0.051518 0.298642 O\n0.051518 0.248297 0.798642 O\n0.948482 0.751703 0.201358 O\n0.473406 0.660834 0.561125 O\n0.526594 0.339166 0.438875 O\n0.339166 0.526594 0.938875 O\n0.660834 0.473406 0.061125 O\n0.791506 0.970147 0.548477 O\n0.208494 0.029853 0.451523 O\n0.029853 0.208494 0.951523 O\n0.970147 0.791506 0.048477 O\n0.721513 0.826996 0.955165 O\n0.278487 0.173004 0.044835 O\n0.173004 0.278487 0.544835 O\n0.826996 0.721513 0.455165 O\n0.262528 0.945940 0.686680 O\n0.737472 0.054060 0.313320 O\n0.054060 0.737472 0.813320 O\n0.945940 0.262528 0.186680 O\n","nsites":44,"nelements":4,"elements":["Mg","Al","Si","O"],"chemical_system":"Al-Mg-O-Si","density":3.1048772533631284,"density_atomic":0.09419678187023577,"volume":467.107252778697,"volume_molar":6.393149150568669,"formula_full":"Mg4 Al8 Si4 O28","formula_reduced":"MgAl2SiO7","formula_anonymous":"ABC2D7","energy":-321.16541085,"energy_per_atom":-7.299213882954546,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-301.92941085,"band_gap":0.0009999999999998,"is_gap_direct":false,"is_magnetic":true,"total_magnetization":8.0023314,"is_theoretical":true,"updated_at":"2021-11-28T01:34:29.965000Z","spacegroup":15},{"id":"mp-14385","created_at":"2022-09-04T14:39:31.343254Z","structure_string":"Ba18 Tm6 B18 O54\n1.0\n4.735034 -8.201320 0.000000\n4.735034 8.201320 0.000000\n0.000000 0.000000 17.949146\nBa Tm B O\n18 6 18 54\ndirect\n0.682286 0.682286 0.868712 Ba\n0.000000 0.682286 0.368712 Ba\n0.682286 0.000000 0.368712 Ba\n0.317714 0.000000 0.868712 Ba\n0.000000 0.317714 0.868712 Ba\n0.317714 0.317714 0.368712 Ba\n0.651912 0.651912 0.628257 Ba\n0.000000 0.651912 0.128257 Ba\n0.651912 0.000000 0.128257 Ba\n0.348088 0.000000 0.628257 Ba\n0.000000 0.348088 0.628257 Ba\n0.348088 0.348088 0.128257 Ba\n0.333333 0.666667 0.275591 Ba\n0.666667 0.333333 0.775591 Ba\n0.333333 0.666667 0.775591 Ba\n0.666667 0.333333 0.275591 Ba\n0.000000 0.000000 0.715168 Ba\n0.000000 0.000000 0.215168 Ba\n0.333333 0.666667 0.995443 Tm\n0.666667 0.333333 0.495443 Tm\n0.333333 0.666667 0.495443 Tm\n0.666667 0.333333 0.995443 Tm\n0.000000 0.000000 0.501441 Tm\n0.000000 0.000000 0.001441 Tm\n0.660200 0.660200 0.420904 B\n0.000000 0.660200 0.920904 B\n0.660200 0.000000 0.920904 B\n0.339800 0.000000 0.420904 B\n0.000000 0.339800 0.420904 B\n0.339800 0.339800 0.920904 B\n0.667406 0.667406 0.247547 B\n0.000000 0.667406 0.747547 B\n0.667406 0.000000 0.747547 B\n0.332594 0.000000 0.247547 B\n0.000000 0.332594 0.247547 B\n0.332594 0.332594 0.747547 B\n0.673357 0.673357 0.071005 B\n0.000000 0.673357 0.571005 B\n0.673357 0.000000 0.571005 B\n0.326643 0.000000 0.071005 B\n0.000000 0.326643 0.071005 B\n0.326643 0.326643 0.571005 B\n0.806652 0.806652 0.430414 O\n0.000000 0.806652 0.930414 O\n0.806652 0.000000 0.930414 O\n0.193348 0.000000 0.430414 O\n0.000000 0.193348 0.430414 O\n0.193348 0.193348 0.930414 O\n0.661268 0.147273 0.915744 O\n0.852727 0.513995 0.915744 O\n0.486005 0.338732 0.915744 O\n0.513995 0.661268 0.415744 O\n0.338732 0.852727 0.415744 O\n0.147273 0.486005 0.415744 O\n0.661268 0.513995 0.415744 O\n0.147273 0.661268 0.915744 O\n0.513995 0.852727 0.915744 O\n0.486005 0.147273 0.415744 O\n0.852727 0.338732 0.415744 O\n0.338732 0.486005 0.915744 O\n0.520084 0.520084 0.247382 O\n0.000000 0.520084 0.747382 O\n0.520084 0.000000 0.747382 O\n0.479916 0.000000 0.247382 O\n0.000000 0.479916 0.247382 O\n0.479916 0.479916 0.747382 O\n0.814607 0.147326 0.747978 O\n0.852674 0.667281 0.747978 O\n0.332719 0.185393 0.747978 O\n0.667281 0.814607 0.247978 O\n0.185393 0.852674 0.247978 O\n0.147326 0.332719 0.247978 O\n0.814607 0.667281 0.247978 O\n0.147326 0.814607 0.747978 O\n0.667281 0.852674 0.747978 O\n0.332719 0.147326 0.247978 O\n0.852674 0.185393 0.247978 O\n0.185393 0.332719 0.747978 O\n0.673529 0.146699 0.566424 O\n0.853301 0.526830 0.566424 O\n0.473170 0.326471 0.566424 O\n0.526830 0.673529 0.066424 O\n0.326471 0.853301 0.066424 O\n0.146699 0.473170 0.066424 O\n0.673529 0.526830 0.066424 O\n0.146699 0.673529 0.566424 O\n0.526830 0.853301 0.566424 O\n0.473170 0.146699 0.066424 O\n0.853301 0.326471 0.066424 O\n0.326471 0.473170 0.566424 O\n0.819113 0.819113 0.080594 O\n0.000000 0.819113 0.580594 O\n0.819113 0.000000 0.580594 O\n0.180887 0.000000 0.080594 O\n0.000000 0.180887 0.080594 O\n0.180887 0.180887 0.580594 O\n","nsites":96,"nelements":4,"elements":["Ba","Tm","B","O"],"chemical_system":"B-Ba-O-Tm","density":5.412678219770262,"density_atomic":0.06886373717985321,"volume":1394.0573650435833,"volume_molar":8.74501008313246,"formula_full":"Ba18 Tm6 B18 O54","formula_reduced":"Ba3Tm(BO3)3","formula_anonymous":"AB3C3D9","energy":-767.1655168699999,"energy_per_atom":-7.991307467395832,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-730.06751687,"band_gap":3.8436,"is_gap_direct":true,"is_magnetic":false,"total_magnetization":0.1043811,"is_theoretical":false,"updated_at":"2021-11-28T01:34:34.896000Z","spacegroup":185},{"id":"mp-1096111","created_at":"2022-09-04T14:39:33.922026Z","structure_string":"Sc1 Mn1 Au2\n1.0\n-5.437330 6.240975 8.540093\n5.437330 -6.240975 8.540093\n5.437330 6.240975 -8.540093\nSc Mn Au\n1 1 2\ndirect\n0.000000 0.000000 0.000000 Sc\n0.000000 0.500000 0.500000 Mn\n0.000000 0.250642 0.250642 Au\n0.000000 0.749358 0.749358 Au\n","nsites":4,"nelements":3,"elements":["Sc","Mn","Au"],"chemical_system":"Au-Mn-Sc","density":0.7073971180954717,"density_atomic":0.0034506369237285,"volume":1159.206282322482,"volume_molar":174.52258505055715,"formula_full":"Sc1 Mn1 Au2","formula_reduced":"ScMnAu2","formula_anonymous":"ABC2","energy":-15.61415137,"energy_per_atom":-3.9035378425,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-15.61415137,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":true,"total_magnetization":6.6827645,"is_theoretical":true,"updated_at":"2021-11-28T01:34:35.779000Z","spacegroup":71},{"id":"mp-11307","created_at":"2022-09-04T14:39:37.457003Z","structure_string":"Mg2 Cd2\n1.0\n3.255190 0.000000 0.000000\n0.000000 4.976478 0.000000\n0.000000 0.000000 5.345630\nMg Cd\n2 2\ndirect\n0.500000 0.250000 0.316637 Mg\n0.500000 0.750000 0.683363 Mg\n0.000000 0.250000 0.817858 Cd\n0.000000 0.750000 0.182142 Cd\n","nsites":4,"nelements":2,"elements":["Mg","Cd"],"chemical_system":"Cd-Mg","density":5.243256571094555,"density_atomic":0.04619156371286203,"volume":86.59589930457801,"volume_molar":13.037317371273874,"formula_full":"Mg2 Cd2","formula_reduced":"MgCd","formula_anonymous":"AB","energy":-5.4401513,"energy_per_atom":-1.360037825,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-5.4401513,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":0.0014779,"is_theoretical":false,"updated_at":"2021-11-28T01:34:28.909000Z","spacegroup":51},{"id":"mp-1197739","created_at":"2022-09-04T14:39:37.490516Z","structure_string":"Zn4 H56 S4 O44\n1.0\n0.000000 0.000000 6.824641\n11.884543 0.000000 0.000000\n0.000000 12.230485 0.000000\nZn H S O\n4 56 4 44\ndirect\n0.459675 0.577561 0.606536 Zn\n0.959675 0.922439 0.393464 Zn\n0.540325 0.077561 0.893464 Zn\n0.040325 0.422439 0.106536 Zn\n0.400536 0.764219 0.724306 H\n0.900536 0.735781 0.275694 H\n0.599464 0.264219 0.775694 H\n0.099464 0.235781 0.224306 H\n0.631638 0.763683 0.697194 H\n0.131638 0.736317 0.302806 H\n0.368362 0.263683 0.802806 H\n0.868362 0.236317 0.197194 H\n0.190935 0.578414 0.770552 H\n0.690935 0.921586 0.229448 H\n0.809065 0.078414 0.729448 H\n0.309065 0.421586 0.270552 H\n0.244737 0.450801 0.754468 H\n0.744737 0.049199 0.245532 H\n0.755263 0.950801 0.745532 H\n0.255263 0.549199 0.254468 H\n0.802845 0.574116 0.727843 H\n0.302845 0.925884 0.272157 H\n0.197155 0.074116 0.772157 H\n0.697155 0.425884 0.227844 H\n0.753241 0.448122 0.687638 H\n0.253241 0.051878 0.312362 H\n0.246759 0.948122 0.812362 H\n0.746759 0.551878 0.187638 H\n0.296181 0.374550 0.558112 H\n0.796181 0.125450 0.441888 H\n0.703819 0.874550 0.941888 H\n0.203819 0.625450 0.058112 H\n0.467632 0.391793 0.472564 H\n0.967632 0.108207 0.527436 H\n0.532368 0.891793 0.027436 H\n0.032368 0.608207 0.972564 H\n0.535748 0.634045 0.396452 H\n0.035748 0.865955 0.603548 H\n0.464252 0.134045 0.103548 H\n0.964252 0.365955 0.896452 H\n0.735024 0.582029 0.446326 H\n0.235024 0.917971 0.553674 H\n0.264976 0.082029 0.053674 H\n0.764976 0.417971 0.946326 H\n0.171248 0.717121 0.528618 H\n0.671248 0.782879 0.471382 H\n0.828752 0.217121 0.971382 H\n0.328752 0.282879 0.028618 H\n0.100560 0.590223 0.499965 H\n0.600560 0.909777 0.500035 H\n0.899440 0.090223 0.000035 H\n0.399440 0.409777 0.999965 H\n0.545300 0.572599 0.987339 H\n0.045300 0.927401 0.012661 H\n0.454700 0.072599 0.512661 H\n0.954700 0.427401 0.487339 H\n0.496013 0.521547 0.871038 H\n0.996013 0.978453 0.128962 H\n0.503987 0.021547 0.628962 H\n0.003987 0.478453 0.371038 H\n0.006565 0.276148 0.684137 S\n0.506565 0.223852 0.315863 S\n0.993435 0.776148 0.815863 S\n0.493435 0.723852 0.184137 S\n0.071498 0.321748 0.577227 O\n0.571498 0.178252 0.422773 O\n0.928502 0.821748 0.922773 O\n0.428502 0.678252 0.077227 O\n0.016668 0.150037 0.682478 O\n0.516668 0.349963 0.317522 O\n0.983332 0.650037 0.817522 O\n0.483332 0.849963 0.182478 O\n0.802065 0.312316 0.707161 O\n0.302065 0.187685 0.292839 O\n0.197935 0.812315 0.792839 O\n0.697935 0.687685 0.207161 O\n0.137805 0.320068 0.773969 O\n0.637805 0.179932 0.226031 O\n0.862195 0.820068 0.726031 O\n0.362195 0.679932 0.273969 O\n0.500872 0.739862 0.670760 O\n0.000872 0.760138 0.329240 O\n0.499128 0.239862 0.829240 O\n0.999128 0.260138 0.170760 O\n0.303427 0.527706 0.753913 O\n0.803427 0.972294 0.246087 O\n0.696573 0.027706 0.746087 O\n0.196573 0.472294 0.253913 O\n0.727069 0.529639 0.674648 O\n0.227069 0.970361 0.325352 O\n0.272931 0.029639 0.825352 O\n0.772931 0.470361 0.174648 O\n0.425243 0.412459 0.546629 O\n0.925243 0.087541 0.453371 O\n0.574757 0.912459 0.953371 O\n0.074757 0.587541 0.046629 O\n0.619640 0.631688 0.461765 O\n0.119640 0.868312 0.538235 O\n0.380360 0.131688 0.038235 O\n0.880360 0.368312 0.961765 O\n0.204619 0.636479 0.534728 O\n0.704619 0.863521 0.465272 O\n0.795381 0.136479 0.965272 O\n0.295381 0.363521 0.034728 O\n0.562696 0.505138 0.940907 O\n0.062696 0.994862 0.059093 O\n0.437304 0.005138 0.559093 O\n0.937304 0.494862 0.440907 O\n","nsites":108,"nelements":4,"elements":["Zn","H","S","O"],"chemical_system":"H-O-S-Zn","density":1.9255713561293535,"density_atomic":0.10887239554963518,"volume":991.9869904099111,"volume_molar":5.531375266978939,"formula_full":"Zn4 H56 S4 O44","formula_reduced":"ZnH14SO11","formula_anonymous":"ABC11D14","energy":-581.6076087199999,"energy_per_atom":-5.385255636296296,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-551.37960872,"band_gap":5.201,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":0.0004631,"is_theoretical":false,"updated_at":"2021-11-28T01:34:24.702000Z","spacegroup":19},{"id":"mp-1987187","created_at":"2022-09-04T14:39:37.576409Z","structure_string":"K6 V4 S8 O36\n1.0\n-0.013125 0.000000 5.026922\n-9.290951 0.000000 0.000000\n0.000000 -18.470158 0.000000\nK V S O\n6 4 8 36\ndirect\n0.736313 0.915103 0.116676 K\n0.236799 0.415190 0.379809 K\n0.250546 0.250020 0.998164 K\n0.263687 0.084897 0.616676 K\n0.749454 0.749980 0.498164 K\n0.763201 0.584810 0.879809 K\n0.242905 0.958155 0.815699 V\n0.757095 0.041845 0.315699 V\n0.258702 0.541187 0.180800 V\n0.741298 0.458813 0.680800 V\n0.749519 0.867386 0.709440 S\n0.250481 0.132614 0.209440 S\n0.248130 0.367628 0.787025 S\n0.764065 0.499467 0.074657 S\n0.751870 0.632372 0.287025 S\n0.737140 0.000184 0.921889 S\n0.235935 0.500533 0.574657 S\n0.262860 0.999816 0.421889 S\n0.973826 0.551477 0.608123 O\n0.261990 0.702836 0.151495 O\n0.214310 0.388359 0.864823 O\n0.728584 0.417108 0.007852 O\n0.550531 0.452099 0.128297 O\n0.049854 0.953046 0.367869 O\n0.715222 0.888303 0.631623 O\n0.449469 0.547901 0.628297 O\n0.014723 0.936518 0.729255 O\n0.785690 0.611641 0.364823 O\n0.738827 0.845619 0.931854 O\n0.540338 0.958588 0.747762 O\n0.773756 0.083088 0.988521 O\n0.271416 0.582892 0.507852 O\n0.512364 0.437488 0.767082 O\n0.284778 0.111697 0.131623 O\n0.760544 0.780870 0.261632 O\n0.226244 0.916912 0.488521 O\n0.525509 0.949006 0.388552 O\n0.738010 0.297164 0.651495 O\n0.487636 0.562512 0.267082 O\n0.237943 0.345881 0.565064 O\n0.950146 0.046954 0.867869 O\n0.240220 0.796471 0.844963 O\n0.985277 0.063482 0.229255 O\n0.239456 0.219130 0.761632 O\n0.762057 0.654119 0.065064 O\n0.038192 0.458391 0.748885 O\n0.961808 0.541609 0.248885 O\n0.474491 0.050994 0.888552 O\n0.739742 0.718899 0.734837 O\n0.459662 0.041412 0.247762 O\n0.759780 0.203529 0.344963 O\n0.260258 0.281101 0.234837 O\n0.026174 0.448523 0.108123 O\n0.261173 0.154381 0.431854 O\n","nsites":54,"nelements":4,"elements":["K","V","S","O"],"chemical_system":"K-O-S-V","density":2.446312301730771,"density_atomic":0.06259805409367983,"volume":862.6466234747077,"volume_molar":9.62033220871002,"formula_full":"K6 V4 S8 O36","formula_reduced":"K3V2(S2O9)2","formula_anonymous":"A2B3C4D18","energy":-370.12353432,"energy_per_atom":-6.854139524444444,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-338.59153432,"band_gap":0.2588,"is_gap_direct":false,"is_magnetic":true,"total_magnetization":2.0331103,"is_theoretical":true,"updated_at":"2021-11-28T01:34:45.659000Z","spacegroup":14},{"id":"mp-1214750","created_at":"2022-09-04T14:39:37.657836Z","structure_string":"Ba1 In2 Pt2\n1.0\n-2.312247 2.312247 5.880340\n2.312247 -2.312247 5.880340\n2.312248 2.312247 -5.880340\nBa In Pt\n1 2 2\ndirect\n0.000000 0.000000 0.000000 Ba\n0.750000 0.250000 0.500000 In\n0.250000 0.750000 0.500000 In\n0.383554 0.383554 0.000000 Pt\n0.616446 0.616446 0.000000 Pt\n","nsites":5,"nelements":3,"elements":["Ba","In","Pt"],"chemical_system":"Ba-In-Pt","density":9.997447993724416,"density_atomic":0.0397593276987694,"volume":125.7566535803058,"volume_molar":15.14648538734319,"formula_full":"Ba1 In2 Pt2","formula_reduced":"Ba(InPt)2","formula_anonymous":"AB2C2","energy":-22.890461970000004,"energy_per_atom":-4.5780923940000005,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-22.890461970000004,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":0.0001233,"is_theoretical":true,"updated_at":"2021-11-28T01:34:24.780000Z","spacegroup":139},{"id":"mp-623453","created_at":"2022-09-04T14:39:37.687489Z","structure_string":"Mn1 Ga2 Co1\n1.0\n0.000000 2.912519 2.912519\n2.912519 0.000000 2.912519\n2.912519 2.912519 0.000000\nMn Ga Co\n1 2 1\ndirect\n0.500000 0.500000 0.500000 Mn\n0.750000 0.750000 0.750000 Ga\n0.250000 0.250000 0.250000 Ga\n0.000000 0.000000 0.000000 Co\n","nsites":4,"nelements":3,"elements":["Mn","Ga","Co"],"chemical_system":"Co-Ga-Mn","density":8.512900312991903,"density_atomic":0.08095127513374405,"volume":49.41243968537099,"volume_molar":7.439216677007856,"formula_full":"Mn1 Ga2 Co1","formula_reduced":"MnGa2Co","formula_anonymous":"ABC2","energy":-22.71910997,"energy_per_atom":-5.6797774925,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-22.71910997,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":true,"total_magnetization":3.4758773,"is_theoretical":false,"updated_at":"2021-11-28T01:34:25.458000Z","spacegroup":225},{"id":"mp-1195633","created_at":"2022-09-04T14:39:37.719885Z","structure_string":"Cs8 Mg4 Sn12 Se32\n1.0\n8.202843 0.000000 0.000000\n0.000000 13.778704 0.000000\n0.000000 0.000000 18.858094\nCs Mg Sn Se\n8 4 12 32\ndirect\n0.751039 0.633319 0.053365 Cs\n0.748961 0.366681 0.553365 Cs\n0.251039 0.866681 0.946635 Cs\n0.248961 0.133319 0.446635 Cs\n0.244386 0.809899 0.342953 Cs\n0.255614 0.190101 0.842953 Cs\n0.744386 0.690101 0.657047 Cs\n0.755614 0.309899 0.157047 Cs\n0.985734 0.501749 0.347387 Mg\n0.514266 0.498251 0.847387 Mg\n0.485734 0.998251 0.652613 Mg\n0.014266 0.001749 0.152613 Mg\n0.763652 0.046907 0.320062 Sn\n0.736348 0.953093 0.820062 Sn\n0.263652 0.453093 0.679938 Sn\n0.236348 0.546907 0.179938 Sn\n0.731953 0.937282 0.484694 Sn\n0.768047 0.062718 0.984694 Sn\n0.231953 0.562718 0.515306 Sn\n0.268047 0.437282 0.015306 Sn\n0.511371 0.982768 0.151892 Sn\n0.988629 0.017232 0.651892 Sn\n0.011371 0.517232 0.848108 Sn\n0.488629 0.482768 0.348108 Sn\n0.980774 0.611143 0.234825 Se\n0.519226 0.388857 0.734825 Se\n0.480774 0.888857 0.765175 Se\n0.019226 0.111143 0.265175 Se\n0.975228 0.618192 0.456264 Se\n0.524772 0.381808 0.956264 Se\n0.475228 0.881808 0.543736 Se\n0.024772 0.118192 0.043736 Se\n0.768227 0.881973 0.155924 Se\n0.731773 0.118027 0.655924 Se\n0.268227 0.618027 0.844076 Se\n0.231773 0.381973 0.344076 Se\n0.758955 0.620916 0.851664 Se\n0.741045 0.379084 0.351664 Se\n0.258955 0.879084 0.148336 Se\n0.241045 0.120916 0.648336 Se\n0.756973 0.866082 0.357316 Se\n0.743027 0.133918 0.857316 Se\n0.256973 0.633918 0.642684 Se\n0.243027 0.366082 0.142684 Se\n0.737679 0.118613 0.448306 Se\n0.762321 0.881387 0.948306 Se\n0.237679 0.381387 0.551694 Se\n0.262321 0.618613 0.051694 Se\n0.504078 0.600537 0.239512 Se\n0.995922 0.399463 0.739512 Se\n0.004078 0.899463 0.760488 Se\n0.495922 0.100537 0.260488 Se\n0.500180 0.608698 0.451974 Se\n0.999820 0.391302 0.951974 Se\n0.000180 0.891302 0.548026 Se\n0.499820 0.108698 0.048026 Se\n","nsites":56,"nelements":4,"elements":["Cs","Mg","Sn","Se"],"chemical_system":"Cs-Mg-Se-Sn","density":3.9823937360843185,"density_atomic":0.026273471574825017,"volume":2131.4275062781826,"volume_molar":22.920993683112503,"formula_full":"Cs8 Mg4 Sn12 Se32","formula_reduced":"Cs2MgSn3Se8","formula_anonymous":"AB2C3D8","energy":-230.51751778,"energy_per_atom":-4.116384246071428,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-215.41351778,"band_gap":1.4299,"is_gap_direct":true,"is_magnetic":false,"total_magnetization":0.025274,"is_theoretical":false,"updated_at":"2021-11-28T01:34:33.116000Z","spacegroup":19},{"id":"mp-1028413","created_at":"2022-09-04T14:39:38.056555Z","structure_string":"Mg14 Ga1 Co1\n1.0\n6.238085 -0.021633 0.000000\n-3.137777 5.434789 0.000000\n0.000000 0.000000 9.925829\nMg Ga Co\n14 1 1\ndirect\n0.170310 0.335155 0.625000 Mg\n0.171899 0.835949 0.625000 Mg\n0.698184 0.347735 0.125000 Mg\n0.663177 0.329408 0.625000 Mg\n0.698184 0.850448 0.125000 Mg\n0.663177 0.833769 0.625000 Mg\n0.320850 0.167730 0.348700 Mg\n0.320850 0.167730 0.901300 Mg\n0.320850 0.653121 0.348700 Mg\n0.320850 0.653121 0.901300 Mg\n0.840589 0.170295 0.367583 Mg\n0.840589 0.170295 0.882417 Mg\n0.832220 0.666110 0.377057 Mg\n0.832220 0.666110 0.872943 Mg\n0.159103 0.829551 0.125000 Ga\n0.146945 0.323472 0.125000 Co\n","nsites":16,"nelements":3,"elements":["Mg","Ga","Co"],"chemical_system":"Co-Ga-Mg","density":2.318586149919591,"density_atomic":0.04764196093187758,"volume":335.83840142260567,"volume_molar":12.640413287376973,"formula_full":"Mg14 Ga1 Co1","formula_reduced":"Mg14GaCo","formula_anonymous":"ABC14","energy":-31.78361074,"energy_per_atom":-1.98647567125,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-31.78361074,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":true,"total_magnetization":0.0833343,"is_theoretical":true,"updated_at":"2021-11-28T01:34:24.859000Z","spacegroup":38},{"id":"mp-1177146","created_at":"2022-09-04T14:39:31.360769Z","structure_string":"Li10 Bi2 P8 O28\n1.0\n7.244128 0.000000 0.000000\n3.123766 8.150228 0.000000\n2.270022 1.516930 9.517679\nLi Bi P O\n10 2 8 28\ndirect\n0.336137 0.188553 0.277823 Li\n0.283038 0.261654 0.584184 Li\n0.758277 0.268407 0.090187 Li\n0.035426 0.485767 0.139220 Li\n0.441427 0.487720 0.356994 Li\n0.558573 0.512280 0.643006 Li\n0.964574 0.514233 0.860780 Li\n0.241723 0.731593 0.909813 Li\n0.716962 0.738346 0.415816 Li\n0.663863 0.811447 0.722177 Li\n0.871879 0.127506 0.762729 Bi\n0.128121 0.872494 0.237271 Bi\n0.166280 0.141178 0.965757 P\n0.693280 0.102381 0.455458 P\n0.411984 0.343031 0.948181 P\n0.879563 0.365319 0.426296 P\n0.120437 0.634681 0.573704 P\n0.588016 0.656969 0.051819 P\n0.306720 0.897619 0.544542 P\n0.833720 0.858822 0.034243 P\n0.216565 0.048919 0.621966 O\n0.081116 0.183007 0.114759 O\n0.788971 0.041637 0.038860 O\n0.681141 0.055917 0.616402 O\n0.026934 0.258667 0.859220 O\n0.495148 0.224611 0.412254 O\n0.374299 0.180750 0.914855 O\n0.076625 0.370614 0.336339 O\n0.460212 0.305163 0.095921 O\n0.858383 0.196790 0.396233 O\n0.591865 0.353521 0.829972 O\n0.875880 0.341476 0.587101 O\n0.221122 0.492283 0.931117 O\n0.305460 0.485962 0.606542 O\n0.694540 0.514038 0.393458 O\n0.778878 0.507717 0.068883 O\n0.124120 0.658524 0.412899 O\n0.408135 0.646479 0.170028 O\n0.141617 0.803210 0.603767 O\n0.539788 0.694837 0.904079 O\n0.923375 0.629386 0.663661 O\n0.625701 0.819250 0.085145 O\n0.504852 0.775389 0.587746 O\n0.973066 0.741333 0.140780 O\n0.318859 0.944083 0.383598 O\n0.211029 0.958363 0.961140 O\n0.918884 0.816993 0.885241 O\n0.783435 0.951081 0.378034 O\n","nsites":48,"nelements":4,"elements":["Li","Bi","P","O"],"chemical_system":"Bi-Li-O-P","density":3.4962285213211994,"density_atomic":0.08541896607717615,"volume":561.9360922330989,"volume_molar":7.050121344900135,"formula_full":"Li10 Bi2 P8 O28","formula_reduced":"Li5Bi(P2O7)2","formula_anonymous":"AB4C5D14","energy":-334.0825922,"energy_per_atom":-6.960054004166667,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-314.8465922,"band_gap":4.1825,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":1.1e-06,"is_theoretical":true,"updated_at":"2021-11-28T01:34:26.824000Z","spacegroup":2},{"id":"mp-757248","created_at":"2022-09-04T14:39:27.314523Z","structure_string":"Li8 Fe4 P4 O20\n1.0\n4.519192 0.000000 0.000000\n0.000000 9.074586 0.000000\n0.000000 0.000000 9.187278\nLi Fe P O\n8 4 4 20\ndirect\n0.586820 0.000000 0.001255 Li\n0.413180 0.000000 0.501255 Li\n0.007029 0.253694 0.001707 Li\n0.992971 0.253694 0.501707 Li\n0.006549 0.500000 0.260122 Li\n0.993451 0.500000 0.760122 Li\n0.007029 0.746306 0.001707 Li\n0.992971 0.746306 0.501707 Li\n0.966793 0.000000 0.284339 Fe\n0.033207 0.000000 0.784339 Fe\n0.447489 0.500000 0.997098 Fe\n0.552511 0.500000 0.497098 Fe\n0.502174 0.248532 0.247879 P\n0.497826 0.248532 0.747879 P\n0.502174 0.751468 0.247879 P\n0.497826 0.751468 0.747879 P\n0.831758 0.000000 0.469376 O\n0.168242 0.000000 0.969376 O\n0.721601 0.150356 0.160819 O\n0.278399 0.150356 0.660819 O\n0.283481 0.154691 0.338520 O\n0.716519 0.154691 0.838520 O\n0.311734 0.345734 0.145034 O\n0.688266 0.345734 0.645034 O\n0.694428 0.347547 0.348043 O\n0.305572 0.347547 0.848043 O\n0.153030 0.500000 0.492868 O\n0.846970 0.500000 0.992868 O\n0.305572 0.652453 0.848043 O\n0.694428 0.652453 0.348043 O\n0.311734 0.654266 0.145034 O\n0.688266 0.654266 0.645034 O\n0.283481 0.845309 0.338520 O\n0.716519 0.845309 0.838520 O\n0.278399 0.849644 0.660819 O\n0.721601 0.849644 0.160819 O\n","nsites":36,"nelements":4,"elements":["Li","Fe","P","O"],"chemical_system":"Fe-Li-O-P","density":3.1855717459328856,"density_atomic":0.09554941425087891,"volume":376.76840075101615,"volume_molar":6.302645397896414,"formula_full":"Li8 Fe4 P4 O20","formula_reduced":"Li2FePO5","formula_anonymous":"ABC2D5","energy":-255.34247573,"energy_per_atom":-7.092846548055555,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-232.57847573000004,"band_gap":2.1583,"is_gap_direct":false,"is_magnetic":true,"total_magnetization":0.0,"is_theoretical":true,"updated_at":"2021-11-28T01:34:37.800000Z","spacegroup":26}]}