{"count":146323,"next":"https://simmate.org/third-parties/MatprojStructure/?format=json&ordering=formation_energy_per_atom&page=60","previous":"https://simmate.org/third-parties/MatprojStructure/?format=json&ordering=formation_energy_per_atom&page=58","results":[{"id":"mp-1361380","created_at":"2022-09-04T14:40:21.341009Z","structure_string":"Ba4 Fe4 Cu2 F28\n1.0\n2.731867 7.109826 0.000000\n-2.731867 7.109826 0.000000\n0.000000 0.288214 15.210960\nBa Fe Cu F\n4 4 2 28\ndirect\n0.124537 0.237363 0.868139 Ba\n0.237363 0.124537 0.368139 Ba\n0.875463 0.762637 0.131861 Ba\n0.762637 0.875463 0.631861 Ba\n0.107648 0.137005 0.630095 Fe\n0.892352 0.862995 0.369905 Fe\n0.137005 0.107648 0.130095 Fe\n0.862995 0.892352 0.869905 Fe\n0.500000 0.500000 0.500000 Cu\n0.500000 0.500000 0.000000 Cu\n0.943979 0.057986 0.152343 F\n0.896911 0.370912 0.046993 F\n0.103089 0.629088 0.953007 F\n0.644358 0.863518 0.915509 F\n0.611532 0.506580 0.898332 F\n0.493420 0.388468 0.601668 F\n0.370912 0.896911 0.546993 F\n0.942014 0.056021 0.347657 F\n0.369751 0.989678 0.718112 F\n0.355642 0.136482 0.084491 F\n0.843623 0.405818 0.706170 F\n0.136482 0.355642 0.584491 F\n0.405818 0.843623 0.206170 F\n0.156377 0.594182 0.293830 F\n0.506580 0.611532 0.398332 F\n0.630249 0.010322 0.281888 F\n0.159650 0.685523 0.481013 F\n0.056021 0.942014 0.847657 F\n0.840350 0.314477 0.518987 F\n0.685523 0.159650 0.981013 F\n0.629088 0.103089 0.453007 F\n0.594182 0.156377 0.793830 F\n0.989678 0.369751 0.218112 F\n0.314477 0.840350 0.018987 F\n0.388468 0.493420 0.101668 F\n0.057986 0.943979 0.652343 F\n0.010322 0.630249 0.781888 F\n0.863518 0.644358 0.415509 F\n","nsites":38,"nelements":4,"elements":["Ba","Fe","Cu","F"],"chemical_system":"Ba-Cu-F-Fe","density":4.023524802435347,"density_atomic":0.0643099915220272,"volume":590.8879646949479,"volume_molar":9.36423814942865,"formula_full":"Ba4 Fe4 Cu2 F28","formula_reduced":"Ba2Fe2CuF14","formula_anonymous":"AB2C2D14","energy":-209.80554688,"energy_per_atom":-5.5211986021052635,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-187.84554688,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":true,"total_magnetization":17.9992347,"is_theoretical":true,"updated_at":"2021-11-28T01:34:48.360000Z","spacegroup":15},{"id":"mp-758189","created_at":"2022-09-04T14:40:21.347531Z","structure_string":"Li2 Cu3 F8\n1.0\n5.595303 0.000000 0.000000\n2.378280 5.102744 0.000000\n1.538833 1.013102 5.374552\nLi Cu F\n2 3 8\ndirect\n0.373969 0.423068 0.814883 Li\n0.585120 0.616191 0.181820 Li\n0.068566 0.262951 0.432414 Cu\n0.022252 0.975740 0.001807 Cu\n0.724207 0.928804 0.570499 Cu\n0.308555 0.250420 0.135580 F\n0.320931 0.243360 0.615125 F\n0.223619 0.765517 0.248470 F\n0.244769 0.784123 0.752595 F\n0.804611 0.199778 0.264736 F\n0.797333 0.190687 0.738250 F\n0.762964 0.677767 0.380367 F\n0.762928 0.681596 0.863456 F\n","nsites":13,"nelements":3,"elements":["Li","Cu","F"],"chemical_system":"Cu-F-Li","density":3.8578716470340573,"density_atomic":0.08471760952332599,"volume":153.4509775847795,"volume_molar":7.108487590578054,"formula_full":"Li2 Cu3 F8","formula_reduced":"Li2Cu3F8","formula_anonymous":"A2B3C8","energy":-59.10915895,"energy_per_atom":-4.546858380769231,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-55.41315895,"band_gap":0.2996999999999999,"is_gap_direct":false,"is_magnetic":true,"total_magnetization":3.0001526,"is_theoretical":true,"updated_at":"2021-11-28T01:35:03.845000Z","spacegroup":1},{"id":"mp-998627","created_at":"2022-09-04T14:40:21.358344Z","structure_string":"Na2 Mo2 O6\n1.0\n4.802640 -2.763229 0.000000\n4.802640 2.763229 0.000000\n3.212798 0.000000 4.514279\nNa Mo O\n2 2 6\ndirect\n0.258680 0.258680 0.258680 Na\n0.758680 0.758680 0.758680 Na\n0.005190 0.005190 0.005190 Mo\n0.505190 0.505190 0.505190 Mo\n0.799040 0.254608 0.710981 O\n0.710981 0.799040 0.254608 O\n0.254608 0.710981 0.799040 O\n0.299040 0.210981 0.754608 O\n0.210981 0.754608 0.299040 O\n0.754608 0.299040 0.210981 O\n","nsites":10,"nelements":3,"elements":["Na","Mo","O"],"chemical_system":"Mo-Na-O","density":4.626929679341222,"density_atomic":0.08346121367625767,"volume":119.81613445964919,"volume_molar":7.21549627035094,"formula_full":"Na2 Mo2 O6","formula_reduced":"NaMoO3","formula_anonymous":"ABC3","energy":-74.29267822999999,"energy_per_atom":-7.429267822999999,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-63.76667823,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":true,"total_magnetization":2.0013502,"is_theoretical":true,"updated_at":"2021-11-28T01:34:46.807000Z","spacegroup":161},{"id":"mp-31089","created_at":"2022-09-04T14:40:21.359250Z","structure_string":"Ho4 Pd4 Pb2\n1.0\n7.947946 0.000000 0.000000\n0.000000 7.947946 0.000000\n0.000000 0.000000 3.571634\nHo Pd Pb\n4 4 2\ndirect\n0.670297 0.170297 0.500000 Ho\n0.170297 0.329703 0.500000 Ho\n0.829703 0.670297 0.500000 Ho\n0.329703 0.829703 0.500000 Ho\n0.374409 0.125591 0.000000 Pd\n0.125591 0.625591 0.000000 Pd\n0.625591 0.874409 0.000000 Pd\n0.874409 0.374409 0.000000 Pd\n0.000000 0.000000 0.000000 Pb\n0.500000 0.500000 0.000000 Pb\n","nsites":10,"nelements":3,"elements":["Ho","Pd","Pb"],"chemical_system":"Ho-Pb-Pd","density":11.038398111381142,"density_atomic":0.044322396640858755,"volume":225.6195683872714,"volume_molar":13.587127990385946,"formula_full":"Ho4 Pd4 Pb2","formula_reduced":"Ho2Pd2Pb","formula_anonymous":"AB2C2","energy":-54.91576401,"energy_per_atom":-5.491576401,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-54.91576401,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":0.0034246,"is_theoretical":false,"updated_at":"2021-11-28T01:34:53.059000Z","spacegroup":127},{"id":"mp-1201979","created_at":"2022-09-04T14:40:21.361279Z","structure_string":"Nd4 N12 O52\n1.0\n9.228681 0.000000 0.000000\n0.000000 9.812249 0.000000\n0.000000 1.300478 12.463938\nNd N O\n4 12 52\ndirect\n0.920557 0.741801 0.844731 Nd\n0.420557 0.258199 0.655269 Nd\n0.079443 0.258199 0.155269 Nd\n0.579443 0.741801 0.344731 Nd\n0.805615 0.992651 0.915782 N\n0.305615 0.007349 0.584218 N\n0.194385 0.007349 0.084218 N\n0.694385 0.992651 0.415782 N\n0.739758 0.504858 0.909745 N\n0.239758 0.495142 0.590255 N\n0.260242 0.495142 0.090255 N\n0.760242 0.504858 0.409745 N\n0.227880 0.721553 0.796895 N\n0.727880 0.278447 0.703105 N\n0.772120 0.278447 0.203105 N\n0.272120 0.721553 0.296895 N\n0.938943 0.978145 0.884388 O\n0.438943 0.021855 0.615612 O\n0.061057 0.021855 0.115612 O\n0.561057 0.978145 0.384388 O\n0.721998 0.889356 0.903185 O\n0.221998 0.110644 0.596815 O\n0.278002 0.110644 0.096815 O\n0.778002 0.889356 0.403185 O\n0.764310 0.094356 0.955023 O\n0.264310 0.905644 0.544977 O\n0.235690 0.905644 0.044977 O\n0.735690 0.094356 0.455023 O\n0.684824 0.616583 0.863363 O\n0.184824 0.383417 0.636637 O\n0.315176 0.383417 0.136637 O\n0.815176 0.616583 0.363363 O\n0.880474 0.505969 0.920330 O\n0.380474 0.494031 0.579670 O\n0.119526 0.494031 0.079670 O\n0.619526 0.505969 0.420330 O\n0.667231 0.405211 0.942420 O\n0.167231 0.594789 0.557580 O\n0.332769 0.594789 0.057580 O\n0.832769 0.405211 0.442420 O\n0.158810 0.837552 0.785658 O\n0.658810 0.162448 0.714342 O\n0.841190 0.162448 0.214342 O\n0.341190 0.837552 0.285658 O\n0.146178 0.614667 0.822066 O\n0.646178 0.385333 0.677934 O\n0.853822 0.385333 0.177934 O\n0.353822 0.614667 0.322066 O\n0.358266 0.712892 0.785477 O\n0.858266 0.287108 0.714523 O\n0.641734 0.287108 0.214523 O\n0.141734 0.712892 0.285477 O\n0.588849 0.745401 0.646932 O\n0.088849 0.254599 0.853068 O\n0.411151 0.254599 0.353068 O\n0.911151 0.745401 0.146932 O\n0.948980 0.735038 0.054297 O\n0.448980 0.264962 0.445703 O\n0.051020 0.264962 0.945703 O\n0.551020 0.735038 0.554297 O\n0.914426 0.810216 0.613509 O\n0.414426 0.189784 0.886491 O\n0.085574 0.189784 0.386491 O\n0.585574 0.810216 0.113509 O\n0.892341 0.684457 0.628397 O\n0.392341 0.315543 0.871603 O\n0.107659 0.315543 0.371603 O\n0.607659 0.684457 0.128397 O\n","nsites":68,"nelements":3,"elements":["Nd","N","O"],"chemical_system":"N-Nd-O","density":2.3201819969791235,"density_atomic":0.06024838888269094,"volume":1128.6608863915374,"volume_molar":9.995521659053246,"formula_full":"Nd4 N12 O52","formula_reduced":"NdN3O13","formula_anonymous":"AB3C13","energy":-428.15295559,"energy_per_atom":-6.2963669939705875,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-419.78095559,"band_gap":0.6889000000000001,"is_gap_direct":false,"is_magnetic":true,"total_magnetization":15.9973113,"is_theoretical":true,"updated_at":"2021-11-28T01:34:55.533000Z","spacegroup":14},{"id":"mp-698522","created_at":"2022-09-04T14:40:21.361125Z","structure_string":"Sb6 P4 H12 C4 N2 O18\n1.0\n-6.984211 0.000000 0.000000\n-0.223051 -9.610802 0.000000\n1.337793 3.013372 9.769383\nSb P H C N O\n6 4 12 4 2 18\ndirect\n0.929941 0.751530 0.174266 Sb\n0.070059 0.248470 0.825734 Sb\n0.190083 0.053664 0.175317 Sb\n0.809917 0.946336 0.824683 Sb\n0.811906 0.700873 0.474026 Sb\n0.188094 0.299127 0.525974 Sb\n0.457266 0.723108 0.226451 P\n0.542734 0.276892 0.773549 P\n0.879933 0.330899 0.253886 P\n0.120067 0.669101 0.746114 P\n0.511086 0.535333 0.852899 H\n0.488914 0.464667 0.147101 H\n0.692353 0.473192 0.961567 H\n0.307647 0.526808 0.038433 H\n0.741617 0.485157 0.799139 H\n0.258383 0.514843 0.200861 H\n0.449418 0.727550 0.738416 H\n0.550582 0.272450 0.261584 H\n0.311514 0.885300 0.808075 H\n0.688486 0.114700 0.191925 H\n0.399377 0.771407 0.912778 H\n0.600623 0.228593 0.087222 H\n0.630333 0.460409 0.855662 C\n0.369667 0.539591 0.144338 C\n0.342695 0.772809 0.808556 C\n0.657305 0.227191 0.191444 C\n0.284519 0.939199 0.555939 N\n0.715481 0.060801 0.444061 N\n0.718198 0.177714 0.781996 O\n0.281802 0.822286 0.218004 O\n0.531138 0.731600 0.378218 O\n0.468862 0.268400 0.621782 O\n0.380536 0.238514 0.847726 O\n0.619464 0.761486 0.152274 O\n0.855849 0.489114 0.248775 O\n0.144151 0.510886 0.751225 O\n0.072822 0.669785 0.593384 O\n0.927178 0.330215 0.406616 O\n0.962585 0.749502 0.834839 O\n0.037415 0.250498 0.165161 O\n0.060789 0.043244 0.831747 O\n0.939211 0.956756 0.168253 O\n0.947889 0.804727 0.377318 O\n0.052111 0.195273 0.622682 O\n0.740747 0.862503 0.625648 O\n0.259253 0.137497 0.374352 O\n","nsites":46,"nelements":6,"elements":["Sb","P","H","C","N","O"],"chemical_system":"C-H-N-O-P-Sb","density":3.11616455282948,"density_atomic":0.07014774493411442,"volume":655.7587851641567,"volume_molar":8.584938497532937,"formula_full":"Sb6 P4 H12 C4 N2 O18","formula_reduced":"Sb3P2H6C2NO9","formula_anonymous":"AB2C2D3E6F9","energy":-279.37547691,"energy_per_atom":-6.073379932826087,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-267.00947691,"band_gap":0.0346999999999999,"is_gap_direct":true,"is_magnetic":true,"total_magnetization":5.9998467,"is_theoretical":false,"updated_at":"2021-11-28T01:34:50.570000Z","spacegroup":2},{"id":"mp-16977","created_at":"2022-09-04T14:40:21.392842Z","structure_string":"Ti2 Mn4 P24\n1.0\n2.900230 8.025107 0.000000\n-2.900230 8.025107 0.000000\n0.000000 4.535138 9.637777\nTi Mn P\n2 4 24\ndirect\n0.696425 0.303575 0.750000 Ti\n0.303575 0.696425 0.250000 Ti\n0.627669 0.007217 0.546255 Mn\n0.992783 0.372331 0.953745 Mn\n0.007217 0.627669 0.046255 Mn\n0.372331 0.992783 0.453745 Mn\n0.595351 0.952477 0.074731 P\n0.047523 0.404649 0.425269 P\n0.404649 0.047523 0.925269 P\n0.952477 0.595351 0.574731 P\n0.585012 0.291131 0.166675 P\n0.708869 0.414988 0.333325 P\n0.979768 0.332271 0.757150 P\n0.667729 0.020232 0.742850 P\n0.020232 0.667729 0.242850 P\n0.332271 0.979768 0.257150 P\n0.016100 0.917857 0.927732 P\n0.082143 0.983900 0.572268 P\n0.983900 0.082143 0.072268 P\n0.917857 0.016100 0.427732 P\n0.333720 0.432303 0.506067 P\n0.567697 0.666280 0.993933 P\n0.666280 0.567697 0.493933 P\n0.432303 0.333720 0.006067 P\n0.994668 0.649364 0.835374 P\n0.350636 0.005332 0.664626 P\n0.005332 0.350636 0.164626 P\n0.649364 0.994668 0.335374 P\n0.291131 0.585012 0.666675 P\n0.414988 0.708869 0.833325 P\n","nsites":30,"nelements":3,"elements":["Ti","Mn","P"],"chemical_system":"Mn-P-Ti","density":3.9191875794776965,"density_atomic":0.06686996771487264,"volume":448.63188999757307,"volume_molar":9.005747969967405,"formula_full":"Ti2 Mn4 P24","formula_reduced":"Ti(MnP6)2","formula_anonymous":"AB2C12","energy":-194.15512048,"energy_per_atom":-6.471837349333333,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-194.15512048,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":true,"total_magnetization":0.7737286,"is_theoretical":false,"updated_at":"2021-11-28T01:34:56.181000Z","spacegroup":15},{"id":"mp-1181328","created_at":"2022-09-04T14:40:21.362280Z","structure_string":"H12 N8 O18\n1.0\n4.570285 0.000000 0.000000\n0.000000 6.105959 0.000000\n0.000000 0.000000 16.030751\nH N O\n12 8 18\ndirect\n0.095894 0.959544 0.043571 H\n0.904106 0.959544 0.956429 H\n0.595894 0.040456 0.456429 H\n0.404106 0.040456 0.543571 H\n0.160673 0.753949 0.975392 H\n0.839327 0.753949 0.024608 H\n0.660673 0.246051 0.524608 H\n0.339327 0.246051 0.475392 H\n0.790093 0.128057 0.680601 H\n0.209907 0.128057 0.319399 H\n0.290093 0.871943 0.819399 H\n0.709907 0.871943 0.180601 H\n0.500000 0.140435 0.500000 N\n0.000000 0.859565 0.000000 N\n0.500000 0.409499 0.000000 N\n0.000000 0.590501 0.500000 N\n0.135352 0.229988 0.733944 N\n0.864648 0.229988 0.266056 N\n0.635352 0.770012 0.766056 N\n0.364648 0.770012 0.233944 N\n0.500000 0.202936 0.000000 O\n0.000000 0.797064 0.500000 O\n0.335992 0.513400 0.949468 O\n0.664008 0.513400 0.050532 O\n0.835992 0.486600 0.550532 O\n0.164008 0.486600 0.449468 O\n0.388817 0.283317 0.720803 O\n0.611183 0.283317 0.279197 O\n0.888817 0.716683 0.779197 O\n0.111183 0.716683 0.220803 O\n0.998925 0.129753 0.664543 O\n0.001075 0.129753 0.335457 O\n0.498925 0.870247 0.835457 O\n0.501075 0.870247 0.164543 O\n0.991121 0.246324 0.797701 O\n0.008879 0.246324 0.202299 O\n0.491121 0.753676 0.702299 O\n0.508879 0.753676 0.297701 O\n","nsites":38,"nelements":3,"elements":["H","N","O"],"chemical_system":"H-N-O","density":1.5298216598720689,"density_atomic":0.08494397128068029,"volume":447.3537018234835,"volume_molar":7.089544636547596,"formula_full":"H12 N8 O18","formula_reduced":"H6N4O9","formula_anonymous":"A4B6C9","energy":-225.68664178,"energy_per_atom":-5.939122152105263,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-213.32064178,"band_gap":1.6163,"is_gap_direct":true,"is_magnetic":false,"total_magnetization":0.0001668,"is_theoretical":true,"updated_at":"2021-11-28T01:35:02.627000Z","spacegroup":18},{"id":"mp-28634","created_at":"2022-09-04T14:40:21.363334Z","structure_string":"K8 I24 F128\n1.0\n14.171309 0.000000 0.000000\n0.000000 14.006269 0.000000\n0.000000 0.017831 14.022545\nK I F\n8 24 128\ndirect\n0.459330 0.985946 0.246928 K\n0.959330 0.514054 0.753072 K\n0.540670 0.014054 0.753072 K\n0.040670 0.485946 0.246928 K\n0.986453 0.981317 0.251162 K\n0.486453 0.518683 0.748838 K\n0.013547 0.018683 0.748838 K\n0.513547 0.481317 0.251162 K\n0.710875 0.543830 0.512704 I\n0.210875 0.956170 0.487296 I\n0.289125 0.456170 0.487296 I\n0.789125 0.043830 0.512704 I\n0.957463 0.712300 0.472749 I\n0.457463 0.787700 0.527251 I\n0.042537 0.287700 0.527251 I\n0.542537 0.212300 0.472749 I\n0.768458 0.768887 0.716361 I\n0.268458 0.731113 0.283639 I\n0.231542 0.231113 0.283639 I\n0.731542 0.268887 0.716361 I\n0.212778 0.722492 0.785747 I\n0.712778 0.777508 0.214253 I\n0.787222 0.277508 0.214253 I\n0.287222 0.222492 0.785747 I\n0.288138 0.525646 0.012578 I\n0.788138 0.974354 0.987422 I\n0.711862 0.474354 0.987422 I\n0.211862 0.025646 0.012578 I\n0.456652 0.776592 0.965730 I\n0.956652 0.723408 0.034270 I\n0.543348 0.223408 0.034270 I\n0.043348 0.276592 0.965730 I\n0.627765 0.545765 0.401216 F\n0.127765 0.954235 0.598784 F\n0.372235 0.454235 0.598784 F\n0.872235 0.045765 0.401216 F\n0.816216 0.543130 0.425683 F\n0.316216 0.956870 0.574317 F\n0.183784 0.456870 0.574317 F\n0.683784 0.043130 0.425683 F\n0.794673 0.500771 0.613241 F\n0.294673 0.999229 0.386759 F\n0.205327 0.499229 0.386759 F\n0.705327 0.000771 0.613241 F\n0.603643 0.504060 0.592365 F\n0.103643 0.995940 0.407635 F\n0.396357 0.495940 0.407635 F\n0.896357 0.004060 0.592365 F\n0.712522 0.412689 0.485662 F\n0.212522 0.087311 0.514338 F\n0.287478 0.587311 0.514338 F\n0.787478 0.912689 0.485662 F\n0.986813 0.606921 0.556585 F\n0.486813 0.893079 0.443415 F\n0.013187 0.393079 0.443415 F\n0.513187 0.106921 0.556585 F\n0.968556 0.797275 0.580122 F\n0.468556 0.702725 0.419878 F\n0.031444 0.202725 0.419878 F\n0.531444 0.297275 0.580122 F\n0.968513 0.823889 0.388837 F\n0.468513 0.676111 0.611163 F\n0.031487 0.176111 0.611163 F\n0.531487 0.323889 0.388837 F\n0.986667 0.629511 0.364004 F\n0.486667 0.870489 0.635996 F\n0.013333 0.370489 0.635996 F\n0.513333 0.129511 0.364004 F\n0.089594 0.725500 0.473489 F\n0.589594 0.774500 0.526511 F\n0.910406 0.274500 0.526511 F\n0.410406 0.225500 0.473489 F\n0.875163 0.685331 0.736120 F\n0.375163 0.814669 0.263880 F\n0.124837 0.314669 0.263880 F\n0.624837 0.185331 0.736120 F\n0.687199 0.657933 0.714532 F\n0.187199 0.842067 0.285468 F\n0.312801 0.342067 0.285468 F\n0.812801 0.157933 0.714532 F\n0.655874 0.844616 0.739075 F\n0.155874 0.655384 0.260925 F\n0.344126 0.155384 0.260925 F\n0.844126 0.344616 0.739075 F\n0.847801 0.875179 0.759313 F\n0.347801 0.624821 0.240687 F\n0.152199 0.124821 0.240687 F\n0.652199 0.375179 0.759313 F\n0.757894 0.750770 0.848339 F\n0.257894 0.749230 0.151661 F\n0.242106 0.249230 0.151661 F\n0.742106 0.250770 0.848339 F\n0.305570 0.629986 0.744670 F\n0.805570 0.870014 0.255330 F\n0.694430 0.370014 0.255330 F\n0.194430 0.129986 0.744670 F\n0.310494 0.818860 0.789922 F\n0.810494 0.681140 0.210078 F\n0.689506 0.181140 0.210078 F\n0.189506 0.318860 0.789922 F\n0.119627 0.824943 0.787021 F\n0.619627 0.675057 0.212979 F\n0.880373 0.175057 0.212979 F\n0.380373 0.324943 0.787021 F\n0.114835 0.634708 0.740625 F\n0.614835 0.865292 0.259375 F\n0.885165 0.365292 0.259375 F\n0.385165 0.134708 0.740625 F\n0.216928 0.753766 0.655773 F\n0.716928 0.746234 0.344227 F\n0.783072 0.246234 0.344227 F\n0.283072 0.253766 0.655773 F\n0.192461 0.509838 0.111858 F\n0.692461 0.990162 0.888142 F\n0.807539 0.490162 0.888142 F\n0.307539 0.009838 0.111858 F\n0.186534 0.538061 0.921015 F\n0.686534 0.961939 0.078985 F\n0.813466 0.461939 0.078985 F\n0.313466 0.038061 0.921015 F\n0.374628 0.501157 0.908695 F\n0.874628 0.998843 0.091305 F\n0.625372 0.498843 0.091305 F\n0.125372 0.001157 0.908695 F\n0.382635 0.470138 0.098314 F\n0.882635 0.029862 0.901686 F\n0.617365 0.529862 0.901686 F\n0.117365 0.970138 0.098314 F\n0.260716 0.395912 0.993118 F\n0.760716 0.104088 0.006882 F\n0.739284 0.604088 0.006882 F\n0.239284 0.895912 0.993118 F\n0.465885 0.662693 0.043684 F\n0.965885 0.837307 0.956316 F\n0.534115 0.337307 0.956316 F\n0.034115 0.162693 0.043684 F\n0.489725 0.701614 0.854750 F\n0.989725 0.798386 0.145250 F\n0.510275 0.298386 0.145250 F\n0.010275 0.201614 0.854750 F\n0.487340 0.892560 0.892899 F\n0.987340 0.607440 0.107101 F\n0.512660 0.107440 0.107101 F\n0.012660 0.392560 0.892899 F\n0.464165 0.851809 0.083120 F\n0.964165 0.648191 0.916880 F\n0.535835 0.148191 0.916880 F\n0.035835 0.351809 0.083120 F\n0.587995 0.774639 0.982678 F\n0.087995 0.725361 0.017322 F\n0.412005 0.225361 0.017322 F\n0.912005 0.274639 0.982678 F\n0.797003 0.695040 0.552603 F\n0.297003 0.804960 0.447397 F\n0.202997 0.304960 0.447397 F\n0.702997 0.195040 0.552603 F\n0.304662 0.689741 0.940741 F\n0.804662 0.810259 0.059259 F\n0.695338 0.310259 0.059259 F\n0.195338 0.189741 0.940741 F\n","nsites":160,"nelements":3,"elements":["K","I","F"],"chemical_system":"F-I-K","density":3.454538891929107,"density_atomic":0.05748581719437504,"volume":2783.295216261724,"volume_molar":10.475872230601714,"formula_full":"K8 I24 F128","formula_reduced":"KI3F16","formula_anonymous":"AB3C16","energy":-626.8357636,"energy_per_atom":-3.9177235224999998,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-567.6997636,"band_gap":4.1785,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":0.0184989,"is_theoretical":false,"updated_at":"2021-11-28T01:34:51.031000Z","spacegroup":14},{"id":"mp-729727","created_at":"2022-09-04T14:40:21.366536Z","structure_string":"Tb24 Pb4 Se40\n1.0\n7.626911 0.000000 0.000000\n-2.556841 7.192920 0.000000\n-2.482058 -3.614729 31.217890\nTb Pb Se\n24 4 40\ndirect\n0.153761 0.779122 0.022129 Tb\n0.347284 0.982021 0.224971 Tb\n0.871445 0.243250 0.125869 Tb\n0.456955 0.329352 0.074227 Tb\n0.540761 0.181021 0.430636 Tb\n0.068899 0.440022 0.327057 Tb\n0.654950 0.527012 0.275378 Tb\n0.025096 0.773245 0.149934 Tb\n0.744892 0.365604 0.625698 Tb\n0.280279 0.639446 0.527909 Tb\n0.845186 0.721953 0.476215 Tb\n0.618693 0.744137 0.376238 Tb\n0.222983 0.971848 0.351157 Tb\n0.949013 0.576971 0.825903 Tb\n0.470204 0.843228 0.724701 Tb\n0.062779 0.929527 0.670852 Tb\n0.824813 0.968835 0.572681 Tb\n0.675570 0.056379 0.921642 Tb\n0.616533 0.371809 0.752842 Tb\n0.031422 0.145424 0.779004 Tb\n0.272491 0.528562 0.649068 Tb\n0.230273 0.353392 0.969559 Tb\n0.834089 0.591673 0.946594 Tb\n0.472556 0.719296 0.851200 Tb\n0.426362 0.552157 0.172933 Pb\n0.680525 0.922787 0.048134 Pb\n0.880381 0.127654 0.249489 Pb\n0.072365 0.316137 0.453837 Pb\n0.227896 0.593860 0.098276 Se\n0.942391 0.790269 0.302866 Se\n0.894632 0.394133 0.025688 Se\n0.167971 0.160402 0.167971 Se\n0.700342 0.842585 0.200264 Se\n0.136196 0.979405 0.502678 Se\n0.081991 0.074906 0.072259 Se\n0.642631 0.986872 0.499971 Se\n0.377812 0.372552 0.368957 Se\n0.480548 0.995760 0.130301 Se\n0.898620 0.034385 0.398090 Se\n0.760656 0.591527 0.098881 Se\n0.278883 0.268786 0.274334 Se\n0.080617 0.599484 0.230166 Se\n0.294506 0.805887 0.427022 Se\n0.701766 0.346624 0.199142 Se\n0.679248 0.187788 0.330699 Se\n0.577429 0.584376 0.574230 Se\n0.094903 0.246534 0.601612 Se\n0.478160 0.481283 0.469116 Se\n0.897200 0.546827 0.398972 Se\n0.428550 0.793174 0.300567 Se\n0.888968 0.396591 0.531156 Se\n0.774370 0.772266 0.772194 Se\n0.302526 0.455597 0.798590 Se\n0.674891 0.665821 0.673939 Se\n0.479103 0.973102 0.632272 Se\n0.699874 0.191451 0.826627 Se\n0.087133 0.726549 0.602357 Se\n0.080966 0.588038 0.727220 Se\n0.974194 0.969502 0.969871 Se\n0.495742 0.631410 0.998782 Se\n0.334544 0.203018 0.700275 Se\n0.866784 0.875111 0.869318 Se\n0.303869 0.937704 0.797949 Se\n0.831064 0.196740 0.702232 Se\n0.287948 0.778393 0.928842 Se\n0.553244 0.401451 0.898709 Se\n0.498617 0.149991 0.996859 Se\n0.037657 0.407984 0.899891 Se\n","nsites":68,"nelements":3,"elements":["Tb","Pb","Se"],"chemical_system":"Pb-Se-Tb","density":7.564228794698649,"density_atomic":0.03970557211133634,"volume":1712.6059740261323,"volume_molar":15.166991532356285,"formula_full":"Tb24 Pb4 Se40","formula_reduced":"Tb6PbSe10","formula_anonymous":"AB6C10","energy":-351.29864227,"energy_per_atom":-5.166156503970589,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-332.41864227,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":0.027549,"is_theoretical":true,"updated_at":"2021-11-28T01:34:54.733000Z","spacegroup":1},{"id":"mp-1277563","created_at":"2022-09-04T14:40:21.380717Z","structure_string":"Li8 Ti2 Ni6 O16\n1.0\n-2.956817 5.122946 0.000721\n-2.964161 -1.711185 4.883526\n5.760392 3.327544 4.747598\nLi Ti Ni O\n8 2 6 16\ndirect\n0.000015 0.000087 0.500025 Li\n0.499978 0.499951 0.999994 Li\n0.248437 0.747733 0.750717 Li\n0.751588 0.252278 0.249299 Li\n0.251746 0.247540 0.250623 Li\n0.748284 0.752435 0.749385 Li\n0.000050 0.500076 0.999942 Li\n0.499960 0.999912 0.500035 Li\n0.999993 0.000030 0.000018 Ti\n0.500092 0.499928 0.499982 Ti\n0.251234 0.249514 0.749709 Ni\n0.748726 0.750522 0.250279 Ni\n0.500049 0.999934 0.999963 Ni\n0.248824 0.749703 0.249672 Ni\n0.751154 0.250333 0.750354 Ni\n0.000048 0.500043 0.499987 Ni\n0.998114 0.538700 0.251720 O\n0.501766 0.038354 0.751741 O\n0.498190 0.961627 0.248275 O\n0.001849 0.461371 0.748267 O\n0.260404 0.261528 0.513510 O\n0.758039 0.763003 0.013762 O\n0.241855 0.236989 0.986249 O\n0.739662 0.738459 0.486460 O\n0.258156 0.736958 0.486231 O\n0.760199 0.238388 0.986616 O\n0.239666 0.761561 0.013353 O\n0.741968 0.263042 0.513824 O\n0.000884 0.987381 0.762780 O\n0.499195 0.487316 0.262749 O\n0.500818 0.512651 0.737230 O\n0.999057 0.012652 0.237251 O\n","nsites":32,"nelements":4,"elements":["Li","Ti","Ni","O"],"chemical_system":"Li-Ni-O-Ti","density":4.374384201235001,"density_atomic":0.11100432294956725,"volume":288.2770611964239,"volume_molar":5.425140751262496,"formula_full":"Li8 Ti2 Ni6 O16","formula_reduced":"Li4TiNi3O8","formula_anonymous":"AB3C4D8","energy":-208.86086031,"energy_per_atom":-6.5269018846875,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-182.62286031,"band_gap":0.5063,"is_gap_direct":false,"is_magnetic":true,"total_magnetization":7.9995265,"is_theoretical":true,"updated_at":"2021-11-28T01:35:06.429000Z","spacegroup":12},{"id":"mp-1212067","created_at":"2022-09-04T14:40:19.352285Z","structure_string":"In4 Sb4 O16\n1.0\n5.301884 0.000000 0.000000\n0.000000 7.527686 0.000000\n0.000000 1.428648 7.496801\nIn Sb O\n4 4 16\ndirect\n0.260026 0.638321 0.156618 In\n0.739974 0.361679 0.843382 In\n0.760026 0.861679 0.843382 In\n0.239974 0.138321 0.156618 In\n0.753832 0.813784 0.331872 Sb\n0.246168 0.186216 0.668128 Sb\n0.253832 0.686216 0.668128 Sb\n0.746168 0.313784 0.331872 Sb\n0.447907 0.894373 0.190545 O\n0.552093 0.105627 0.809455 O\n0.947907 0.605627 0.809455 O\n0.052093 0.394373 0.190545 O\n0.936356 0.815285 0.101609 O\n0.063644 0.184715 0.898391 O\n0.436356 0.684715 0.898391 O\n0.563644 0.315285 0.101609 O\n0.602962 0.563388 0.323102 O\n0.397038 0.436612 0.676898 O\n0.102962 0.936612 0.676898 O\n0.897038 0.063388 0.323102 O\n0.579774 0.807459 0.566926 O\n0.420226 0.192541 0.433074 O\n0.079774 0.692541 0.433074 O\n0.920226 0.307459 0.566926 O\n","nsites":24,"nelements":3,"elements":["In","Sb","O"],"chemical_system":"In-O-Sb","density":6.6726003194430135,"density_atomic":0.08021277516763163,"volume":299.2042096766246,"volume_molar":7.507707777738282,"formula_full":"In4 Sb4 O16","formula_reduced":"InSbO4","formula_anonymous":"ABC4","energy":-153.56533742,"energy_per_atom":-6.398555725833333,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-142.57333742,"band_gap":1.0427999999999995,"is_gap_direct":true,"is_magnetic":false,"total_magnetization":8e-07,"is_theoretical":true,"updated_at":"2021-11-28T01:34:50.273000Z","spacegroup":14}]}