{"count":146323,"next":"https://simmate.org/third-parties/MatprojStructure/?format=json&ordering=density&page=10211","previous":"https://simmate.org/third-parties/MatprojStructure/?format=json&ordering=density&page=10209","results":[{"id":"mp-1193387","created_at":"2022-09-04T14:47:56.655877Z","structure_string":"Sm6 Mn23\n1.0\n0.000000 6.141656 6.141656\n6.141656 0.000000 6.141656\n6.141656 6.141656 0.000000\nSm Mn\n6 23\ndirect\n0.710318 0.710318 0.289682 Sm\n0.289682 0.710318 0.289682 Sm\n0.710318 0.289682 0.289682 Sm\n0.289682 0.289682 0.710318 Sm\n0.710318 0.289682 0.710318 Sm\n0.289682 0.710318 0.710318 Sm\n0.000000 0.000000 0.000000 Mn\n0.000000 0.000000 0.500000 Mn\n0.500000 0.000000 0.500000 Mn\n0.000000 0.500000 0.500000 Mn\n0.500000 0.500000 0.000000 Mn\n0.000000 0.500000 0.000000 Mn\n0.500000 0.000000 0.000000 Mn\n0.881287 0.881287 0.356138 Mn\n0.881287 0.356138 0.881287 Mn\n0.356138 0.881287 0.881287 Mn\n0.881287 0.881287 0.881287 Mn\n0.118713 0.118713 0.643862 Mn\n0.118713 0.643862 0.118713 Mn\n0.643862 0.118713 0.118713 Mn\n0.118713 0.118713 0.118713 Mn\n0.679747 0.679747 0.960760 Mn\n0.679747 0.960760 0.679747 Mn\n0.960760 0.679747 0.679747 Mn\n0.679747 0.679747 0.679747 Mn\n0.320253 0.320253 0.039240 Mn\n0.320253 0.039240 0.320253 Mn\n0.039240 0.320253 0.320253 Mn\n0.320253 0.320253 0.320253 Mn\n","nsites":29,"nelements":2,"elements":["Sm","Mn"],"chemical_system":"Mn-Sm","density":7.761898536232418,"density_atomic":0.06259094947038654,"volume":463.3257722623409,"volume_molar":9.621424201032829,"formula_full":"Sm6 Mn23","formula_reduced":"Sm6Mn23","formula_anonymous":"A6B23","energy":-233.45703664,"energy_per_atom":-8.05024264275862,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-233.45703664,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":true,"total_magnetization":37.5734612,"is_theoretical":false,"updated_at":"2021-11-28T01:38:19.182000Z","spacegroup":225},{"id":"mp-1578","created_at":"2022-09-04T14:45:53.526981Z","structure_string":"V6 Rh2\n1.0\n4.782896 0.000000 0.000000\n0.000000 4.782896 0.000000\n0.000000 0.000000 4.782896\nV Rh\n6 2\ndirect\n0.500000 0.250000 0.000000 V\n0.500000 0.750000 0.000000 V\n0.250000 0.000000 0.500000 V\n0.750000 0.000000 0.500000 V\n0.000000 0.500000 0.250000 V\n0.000000 0.500000 0.750000 V\n0.500000 0.500000 0.500000 Rh\n0.000000 0.000000 0.000000 Rh\n","nsites":8,"nelements":2,"elements":["V","Rh"],"chemical_system":"Rh-V","density":7.762255950174997,"density_atomic":0.07311679969226229,"volume":109.41397919042967,"volume_molar":8.236329797455978,"formula_full":"V6 Rh2","formula_reduced":"V3Rh","formula_anonymous":"AB3","energy":-71.80599187,"energy_per_atom":-8.97574898375,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-71.80599187,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":0.0015731,"is_theoretical":false,"updated_at":"2021-11-28T01:37:09.236000Z","spacegroup":223},{"id":"mp-568258","created_at":"2022-09-04T14:41:08.918120Z","structure_string":"Fe2 Ge1\n1.0\n2.081817 -3.605813 0.000000\n2.081817 3.605813 0.000000\n0.000000 0.000000 2.626466\nFe Ge\n2 1\ndirect\n0.333333 0.666667 0.500000 Fe\n0.666667 0.333333 0.500000 Fe\n0.000000 0.000000 0.000000 Ge\n","nsites":3,"nelements":2,"elements":["Fe","Ge"],"chemical_system":"Fe-Ge","density":7.762428107271648,"density_atomic":0.07608056428827346,"volume":39.43188418835636,"volume_molar":7.915478567143346,"formula_full":"Fe2 Ge1","formula_reduced":"Fe2Ge","formula_anonymous":"AB2","energy":-20.89482573,"energy_per_atom":-6.96494191,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-20.89482573,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":true,"total_magnetization":5.105497,"is_theoretical":false,"updated_at":"2021-11-28T01:35:11.573000Z","spacegroup":191},{"id":"mp-1018127","created_at":"2022-09-04T14:46:26.349084Z","structure_string":"Tb1 Sb2\n1.0\n1.789530 -3.194821 0.000000\n1.789530 3.194821 0.000000\n0.000000 0.000000 7.529046\nTb Sb\n1 2\ndirect\n0.000000 0.000000 0.000000 Tb\n0.500000 0.000000 0.673039 Sb\n0.000000 0.500000 0.326961 Sb\n","nsites":3,"nelements":2,"elements":["Tb","Sb"],"chemical_system":"Sb-Tb","density":7.762481018139992,"density_atomic":0.034847032041161734,"volume":86.09054557232777,"volume_molar":17.28164611805842,"formula_full":"Tb1 Sb2","formula_reduced":"TbSb2","formula_anonymous":"AB2","energy":-13.891488249999998,"energy_per_atom":-4.630496083333333,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-13.507488249999998,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":0.0009451,"is_theoretical":false,"updated_at":"2021-11-28T01:37:35.724000Z","spacegroup":21},{"id":"mp-1219240","created_at":"2022-09-04T14:40:14.472720Z","structure_string":"Sc1 Pa1 O4\n1.0\n3.735533 0.000000 0.000000\n0.000000 3.735533 0.000000\n0.000000 0.000000 5.212021\nSc Pa O\n1 1 4\ndirect\n0.000000 0.000000 0.000000 Sc\n0.500000 0.500000 0.500000 Pa\n0.500000 0.000000 0.751681 O\n0.000000 0.500000 0.248319 O\n0.500000 0.000000 0.248319 O\n0.000000 0.500000 0.751681 O\n","nsites":6,"nelements":3,"elements":["Sc","Pa","O"],"chemical_system":"O-Pa-Sc","density":7.76252751738846,"density_atomic":0.0824973387038642,"volume":72.72961884913455,"volume_molar":7.299800035510625,"formula_full":"Sc1 Pa1 O4","formula_reduced":"ScPaO4","formula_anonymous":"ABC4","energy":-59.93913124,"energy_per_atom":-9.989855206666666,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-57.19113124,"band_gap":2.493500000000001,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":4.7e-06,"is_theoretical":true,"updated_at":"2021-11-28T01:34:53.226000Z","spacegroup":123},{"id":"mp-1235182","created_at":"2022-09-04T14:47:21.534525Z","structure_string":"Cs2 Li1 Tm2 W4 O16\n1.0\n4.064733 5.338492 -3.405955\n4.323782 -5.571554 -3.462916\n0.015831 -0.039538 -7.506247\nCs Li Tm W O\n2 1 2 4 16\ndirect\n0.784946 0.228522 0.729137 Cs\n0.214460 0.809172 0.245019 Cs\n0.937154 0.931684 0.895171 Li\n0.266995 0.786333 0.732677 Tm\n0.757227 0.197790 0.251898 Tm\n0.294815 0.310389 0.710016 W\n0.704993 0.671592 0.309053 W\n0.693735 0.703331 0.800018 W\n0.309556 0.302378 0.209314 W\n0.371665 0.252883 0.934328 O\n0.633228 0.754677 0.051161 O\n0.758881 0.628668 0.569774 O\n0.242834 0.374940 0.435464 O\n0.611138 0.922060 0.637609 O\n0.384807 0.076615 0.362178 O\n0.042523 0.341357 0.882895 O\n0.960345 0.660499 0.106811 O\n0.400211 0.615000 0.549158 O\n0.588341 0.361331 0.464688 O\n0.369644 0.582234 0.968132 O\n0.633155 0.417119 0.031656 O\n0.217075 0.048410 0.789752 O\n0.770608 0.952937 0.193937 O\n0.971097 0.793687 0.699193 O\n0.038899 0.218059 0.298101 O\n","nsites":25,"nelements":5,"elements":["Cs","Li","Tm","W","O"],"chemical_system":"Cs-Li-O-Tm-W","density":7.762545554565978,"density_atomic":0.07295255354413643,"volume":342.6884843019916,"volume_molar":8.254873157190575,"formula_full":"Cs2 Li1 Tm2 W4 O16","formula_reduced":"Cs2LiTm2(WO4)4","formula_anonymous":"AB2C2D4E16","energy":-208.04497732,"energy_per_atom":-8.3217990928,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-179.30097732,"band_gap":1.9371,"is_gap_direct":false,"is_magnetic":true,"total_magnetization":0.9999992,"is_theoretical":true,"updated_at":"2021-11-28T01:38:05.728000Z","spacegroup":1},{"id":"mp-1217967","created_at":"2022-09-04T14:42:28.458528Z","structure_string":"Sr1 P1 Pt1\n1.0\n2.069106 -3.583797 0.000000\n2.069106 3.583797 0.000000\n0.000000 0.000000 4.524490\nSr P Pt\n1 1 1\ndirect\n0.666667 0.333333 0.000000 Sr\n0.333333 0.666667 0.500000 P\n0.000000 0.000000 0.500000 Pt\n","nsites":3,"nelements":3,"elements":["Sr","P","Pt"],"chemical_system":"P-Pt-Sr","density":7.762597323851936,"density_atomic":0.0447090544119515,"volume":67.10050211211912,"volume_molar":13.469622292861954,"formula_full":"Sr1 P1 Pt1","formula_reduced":"SrPPt","formula_anonymous":"ABC","energy":-16.45304481,"energy_per_atom":-5.484348270000001,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-16.45304481,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":0.0009242,"is_theoretical":true,"updated_at":"2021-11-28T01:35:51.254000Z","spacegroup":187},{"id":"mp-1220300","created_at":"2022-09-04T14:47:58.545874Z","structure_string":"Nd2 Si4 Ru1 Rh3\n1.0\n4.140390 0.000000 0.000000\n0.000000 4.140390 0.000000\n0.000000 0.000000 10.115121\nNd Si Ru Rh\n2 4 1 3\ndirect\n0.000000 0.000000 0.002835 Nd\n0.500000 0.500000 0.497165 Nd\n0.500000 0.500000 0.131041 Si\n0.000000 0.000000 0.625920 Si\n0.000000 0.000000 0.368959 Si\n0.500000 0.500000 0.874080 Si\n0.000000 0.500000 0.250000 Ru\n0.500000 0.000000 0.750000 Rh\n0.500000 0.000000 0.250000 Rh\n0.000000 0.500000 0.750000 Rh\n","nsites":10,"nelements":4,"elements":["Nd","Si","Ru","Rh"],"chemical_system":"Nd-Rh-Ru-Si","density":7.762628629428299,"density_atomic":0.057669530497220414,"volume":173.40179317884312,"volume_molar":10.442500065594011,"formula_full":"Nd2 Si4 Ru1 Rh3","formula_reduced":"Nd2Si4RuRh3","formula_anonymous":"AB2C3D4","energy":-72.77181845,"energy_per_atom":-7.277181844999999,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-73.05581845,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":6.58e-05,"is_theoretical":true,"updated_at":"2021-11-28T01:38:24.558000Z","spacegroup":115},{"id":"mp-13931","created_at":"2022-09-04T14:42:57.522147Z","structure_string":"Ba2 Tb1 Re1 O6\n1.0\n0.000000 4.246146 4.246146\n4.246146 0.000000 4.246146\n4.246146 4.246146 0.000000\nBa Tb Re O\n2 1 1 6\ndirect\n0.250000 0.250000 0.250000 Ba\n0.750000 0.750000 0.750000 Ba\n0.500000 0.500000 0.500000 Tb\n0.000000 0.000000 0.000000 Re\n0.765695 0.234305 0.765695 O\n0.234305 0.234305 0.765695 O\n0.765695 0.765695 0.234305 O\n0.765695 0.234305 0.234305 O\n0.234305 0.765695 0.234305 O\n0.234305 0.765695 0.765695 O\n","nsites":10,"nelements":4,"elements":["Ba","Tb","Re","O"],"chemical_system":"Ba-O-Re-Tb","density":7.762749303664444,"density_atomic":0.0653108348970613,"volume":153.11395139506868,"volume_molar":9.22073767620902,"formula_full":"Ba2 Tb1 Re1 O6","formula_reduced":"Ba2TbReO6","formula_anonymous":"ABC2D6","energy":-80.93425936,"energy_per_atom":-8.093425936,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-76.81225936,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":true,"total_magnetization":1.9995853,"is_theoretical":false,"updated_at":"2021-11-28T01:36:00.930000Z","spacegroup":225},{"id":"mp-780671","created_at":"2022-09-04T14:40:28.561897Z","structure_string":"Sr4 Ta4 N4 O8\n1.0\n4.015686 4.091001 0.000000\n-4.015686 4.091001 0.000000\n0.000000 0.030527 8.192086\nSr Ta N O\n4 4 4 8\ndirect\n0.995640 0.994460 0.750098 Sr\n0.497171 0.491678 0.750082 Sr\n0.508322 0.502829 0.249918 Sr\n0.005540 0.004360 0.249902 Sr\n0.009260 0.508249 0.507945 Ta\n0.993814 0.489675 0.990757 Ta\n0.510325 0.006186 0.009243 Ta\n0.491751 0.990740 0.492055 Ta\n0.771887 0.228113 0.000000 N\n0.521159 0.976259 0.250081 N\n0.023741 0.478841 0.749919 N\n0.227497 0.772503 0.500000 N\n0.775742 0.224258 0.500000 O\n0.476292 0.028313 0.749609 O\n0.971687 0.523708 0.250391 O\n0.723155 0.726204 0.975825 O\n0.275290 0.274947 0.475963 O\n0.725053 0.724710 0.524037 O\n0.273796 0.276845 0.024175 O\n0.222880 0.777120 0.000000 O\n","nsites":20,"nelements":4,"elements":["Sr","Ta","N","O"],"chemical_system":"N-O-Sr-Ta","density":7.762779080637954,"density_atomic":0.07430467944957779,"volume":269.16205208275943,"volume_molar":8.104658824464144,"formula_full":"Sr4 Ta4 N4 O8","formula_reduced":"SrTaNO2","formula_anonymous":"ABCD2","energy":-182.04964423,"energy_per_atom":-9.1024822115,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-175.10964422999996,"band_gap":0.6686000000000005,"is_gap_direct":true,"is_magnetic":false,"total_magnetization":5.8e-06,"is_theoretical":true,"updated_at":"2021-11-28T01:34:59.778000Z","spacegroup":5},{"id":"mp-1214389","created_at":"2022-09-04T14:39:25.768258Z","structure_string":"Ba2 Pb6 O8\n1.0\n4.002179 -6.931977 0.000000\n4.002179 6.931977 0.000000\n0.000000 0.000000 6.344771\nBa Pb O\n2 6 8\ndirect\n0.666667 0.333333 0.250000 Ba\n0.333333 0.666667 0.750000 Ba\n0.166193 0.344999 0.250000 Pb\n0.655001 0.821194 0.250000 Pb\n0.344999 0.166193 0.750000 Pb\n0.178806 0.833807 0.250000 Pb\n0.821194 0.655001 0.750000 Pb\n0.833807 0.178806 0.750000 Pb\n0.333333 0.666667 0.250000 O\n0.666667 0.333333 0.750000 O\n0.392069 0.000000 0.000000 O\n0.000000 0.392069 0.000000 O\n0.392069 0.000000 0.500000 O\n0.607931 0.607931 0.000000 O\n0.000000 0.392069 0.500000 O\n0.607931 0.607931 0.500000 O\n","nsites":16,"nelements":3,"elements":["Ba","Pb","O"],"chemical_system":"Ba-O-Pb","density":7.763178440672062,"density_atomic":0.045448589900829894,"volume":352.046125851483,"volume_molar":13.25044577431441,"formula_full":"Ba2 Pb6 O8","formula_reduced":"BaPb3O4","formula_anonymous":"AB3C4","energy":-95.20767873,"energy_per_atom":-5.950479920625,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-89.71167873,"band_gap":2.0029,"is_gap_direct":true,"is_magnetic":false,"total_magnetization":0.0007797,"is_theoretical":true,"updated_at":"2021-11-28T01:34:38.471000Z","spacegroup":190},{"id":"mp-11033","created_at":"2022-09-04T14:41:58.978164Z","structure_string":"Tb2 Al14 Au6\n1.0\n7.430431 -4.054373 0.000000\n7.430431 4.054373 0.000000\n5.218184 0.000000 6.664818\nTb Al Au\n2 14 6\ndirect\n0.000000 0.000000 0.000000 Tb\n0.500000 0.500000 0.500000 Tb\n0.930310 0.147242 0.332606 Al\n0.332606 0.930310 0.147242 Al\n0.147242 0.332606 0.930310 Al\n0.569690 0.167394 0.352758 Al\n0.352758 0.569690 0.167394 Al\n0.167394 0.352758 0.569690 Al\n0.069690 0.852758 0.667394 Al\n0.667394 0.069690 0.852758 Al\n0.750000 0.750000 0.750000 Al\n0.250000 0.250000 0.250000 Al\n0.832606 0.647242 0.430310 Al\n0.647242 0.430310 0.832606 Al\n0.430310 0.832606 0.647242 Al\n0.852758 0.667394 0.069690 Al\n0.250000 0.573388 0.926612 Au\n0.926612 0.250000 0.573388 Au\n0.573388 0.926612 0.250000 Au\n0.750000 0.426612 0.073388 Au\n0.073388 0.750000 0.426612 Au\n0.426612 0.073388 0.750000 Au\n","nsites":22,"nelements":3,"elements":["Tb","Al","Au"],"chemical_system":"Al-Au-Tb","density":7.763328862675826,"density_atomic":0.054785633026724796,"volume":401.5651327651586,"volume_molar":10.992189790090332,"formula_full":"Tb2 Al14 Au6","formula_reduced":"TbAl7Au3","formula_anonymous":"AB3C7","energy":-92.67488091,"energy_per_atom":-4.212494586818182,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-92.67488091,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":0.0005823,"is_theoretical":false,"updated_at":"2021-11-28T01:35:38.119000Z","spacegroup":167}]}