{"count":146323,"next":"https://simmate.org/third-parties/MatprojStructure/?format=json&ordering=-energy_uncorrected&page=74","previous":"https://simmate.org/third-parties/MatprojStructure/?format=json&ordering=-energy_uncorrected&page=72","results":[{"id":"mp-1096691","created_at":"2022-09-04T14:40:35.164309Z","structure_string":"Sr2 Tl1 Pb1\n1.0\n-6.598010 6.922155 9.791845\n6.598010 -6.922155 9.791845\n6.598010 6.922155 -9.791845\nSr Tl Pb\n2 1 1\ndirect\n0.000000 0.251413 0.251413 Sr\n0.000000 0.748587 0.748587 Sr\n0.000000 0.000000 0.000000 Tl\n0.000000 0.500000 0.500000 Pb\n","nsites":4,"nelements":3,"elements":["Sr","Tl","Pb"],"chemical_system":"Pb-Sr-Tl","density":0.5447254120781533,"density_atomic":0.0022360483015703594,"volume":1788.8701228818854,"volume_molar":269.32069203383026,"formula_full":"Sr2 Tl1 Pb1","formula_reduced":"Sr2TlPb","formula_anonymous":"ABC2","energy":-4.89380767,"energy_per_atom":-1.2234519175,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-4.89380767,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":true,"total_magnetization":3.9491334,"is_theoretical":true,"updated_at":"2021-11-28T01:35:03.422000Z","spacegroup":71},{"id":"mp-1039029","created_at":"2022-09-04T14:43:57.962952Z","structure_string":"Mg2 Cd4\n1.0\n6.663442 0.000000 0.000000\n0.000000 6.663442 0.000000\n0.000000 0.000000 4.444980\nMg Cd\n2 4\ndirect\n0.000000 0.000000 0.000000 Mg\n0.500000 0.500000 0.500000 Mg\n0.300790 0.300790 0.000000 Cd\n0.699210 0.699210 0.000000 Cd\n0.199210 0.800790 0.500000 Cd\n0.800790 0.199210 0.500000 Cd\n","nsites":6,"nelements":2,"elements":["Mg","Cd"],"chemical_system":"Cd-Mg","density":4.192111607027285,"density_atomic":0.03040074281937214,"volume":197.36359850314724,"volume_molar":19.8091895181013,"formula_full":"Mg2 Cd4","formula_reduced":"MgCd2","formula_anonymous":"AB2","energy":-4.89557103,"energy_per_atom":-0.815928505,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-4.89557103,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":0.0013068,"is_theoretical":true,"updated_at":"2021-11-28T01:36:12.320000Z","spacegroup":136},{"id":"mp-1014212","created_at":"2022-09-04T14:40:19.364987Z","structure_string":"Si1\n1.0\n-1.545834 1.545834 1.545834\n1.545834 -1.545834 1.545834\n1.545834 1.545834 -1.545834\nSi\n1\ndirect\n0.000000 0.000000 0.000000 Si\n","nsites":1,"nelements":1,"elements":["Si"],"chemical_system":"Si","density":3.156332160571929,"density_atomic":0.06767861196292675,"volume":14.775716744128614,"volume_molar":8.898144606303141,"formula_full":"Si1","formula_reduced":"Si","formula_anonymous":"A","energy":-4.89982253,"energy_per_atom":-4.89982253,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-4.89982253,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":5.1e-06,"is_theoretical":true,"updated_at":"2021-11-28T01:35:00.452000Z","spacegroup":229},{"id":"mp-1064459","created_at":"2022-09-04T14:40:32.055677Z","structure_string":"P1 Br1\n1.0\n3.437410 0.000000 0.000000\n0.000000 3.437410 0.000000\n0.000000 0.000000 3.437410\nP Br\n1 1\ndirect\n0.000000 0.000000 0.000000 P\n0.500000 0.500000 0.500000 Br\n","nsites":2,"nelements":2,"elements":["P","Br"],"chemical_system":"Br-P","density":4.533144266693646,"density_atomic":0.049242034428599216,"volume":40.615706138218016,"volume_molar":12.229674971557246,"formula_full":"P1 Br1","formula_reduced":"PBr","formula_anonymous":"AB","energy":-5.43636809,"energy_per_atom":-2.718184045,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-4.90236809,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":0.0017127,"is_theoretical":true,"updated_at":"2021-11-28T01:34:53.728000Z","spacegroup":221},{"id":"mp-1209830","created_at":"2022-09-04T14:41:17.344370Z","structure_string":"P1 Br2\n1.0\n10.104816 0.000000 0.000000\n0.000000 10.104816 0.000000\n0.000000 0.000000 14.527105\nP Br\n1 2\ndirect\n0.500000 0.500000 0.500000 P\n0.500000 0.500000 0.079361 Br\n0.500000 0.500000 0.920639 Br\n","nsites":3,"nelements":2,"elements":["P","Br"],"chemical_system":"Br-P","density":0.21357482431456934,"density_atomic":0.002022485234085032,"volume":1483.3235612507174,"volume_molar":297.7594426158767,"formula_full":"P1 Br2","formula_reduced":"PBr2","formula_anonymous":"AB2","energy":-5.972461340000001,"energy_per_atom":-1.9908204466666668,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-4.90446134,"band_gap":1.7542,"is_gap_direct":true,"is_magnetic":true,"total_magnetization":2.9999403,"is_theoretical":true,"updated_at":"2021-11-28T01:35:15.727000Z","spacegroup":123},{"id":"mp-1096151","created_at":"2022-09-04T14:45:58.259047Z","structure_string":"Ca2 Zn1 Ge1\n1.0\n-6.037976 6.055190 8.543541\n6.037976 -6.055190 8.543541\n6.037976 6.055190 -8.543541\nCa Zn Ge\n2 1 1\ndirect\n0.000000 0.267671 0.267671 Ca\n0.000000 0.732329 0.732329 Ca\n0.000000 0.000000 0.000000 Zn\n0.000000 0.500000 0.500000 Ge\n","nsites":4,"nelements":3,"elements":["Ca","Zn","Ge"],"chemical_system":"Ca-Ge-Zn","density":0.2899991591431639,"density_atomic":0.0032014220705213862,"volume":1249.444750453837,"volume_molar":188.10830397690202,"formula_full":"Ca2 Zn1 Ge1","formula_reduced":"Ca2ZnGe","formula_anonymous":"ABC2","energy":-4.90873311,"energy_per_atom":-1.2271832775,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-4.90873311,"band_gap":0.0057,"is_gap_direct":false,"is_magnetic":true,"total_magnetization":1.9998648,"is_theoretical":true,"updated_at":"2021-11-28T01:37:09.823000Z","spacegroup":71},{"id":"mp-1009489","created_at":"2022-09-04T14:39:05.673215Z","structure_string":"Rb1 Te1\n1.0\n0.000000 3.737975 3.737975\n3.737975 0.000000 3.737975\n3.737975 3.737975 0.000000\nRb Te\n1 1\ndirect\n0.000000 0.000000 0.000000 Rb\n0.500000 0.500000 0.500000 Te\n","nsites":2,"nelements":2,"elements":["Rb","Te"],"chemical_system":"Rb-Te","density":3.3870978730583796,"density_atomic":0.019146562893598323,"volume":104.45739066141748,"volume_molar":31.45285549926828,"formula_full":"Rb1 Te1","formula_reduced":"RbTe","formula_anonymous":"AB","energy":-5.33091372,"energy_per_atom":-2.66545686,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-4.90891372,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":true,"total_magnetization":0.999969,"is_theoretical":true,"updated_at":"2021-11-28T01:34:35.648000Z","spacegroup":225},{"id":"mp-974748","created_at":"2022-09-04T14:42:52.784329Z","structure_string":"Rb3 Tm1\n1.0\n0.000000 5.091636 5.091636\n5.091636 0.000000 5.091636\n5.091636 5.091636 0.000000\nRb Tm\n3 1\ndirect\n0.250000 0.250000 0.250000 Rb\n0.750000 0.750000 0.750000 Rb\n0.500000 0.500000 0.500000 Rb\n0.000000 0.000000 0.000000 Tm\n","nsites":4,"nelements":2,"elements":["Rb","Tm"],"chemical_system":"Rb-Tm","density":2.675351457445288,"density_atomic":0.01515158094274749,"volume":263.9988536585454,"volume_molar":39.74595643026004,"formula_full":"Rb3 Tm1","formula_reduced":"Rb3Tm","formula_anonymous":"AB3","energy":-4.9115126,"energy_per_atom":-1.22787815,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-4.9115126,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":0.1188933,"is_theoretical":true,"updated_at":"2021-11-28T01:35:52.960000Z","spacegroup":225},{"id":"mp-634105","created_at":"2022-09-04T14:47:58.631070Z","structure_string":"H1 Br1\n1.0\n0.000000 4.038815 4.254400\n1.676888 0.000000 4.254400\n1.676888 4.038815 0.000000\nH Br\n1 1\ndirect\n0.000000 0.000000 0.000000 H\n0.500000 0.500000 0.500000 Br\n","nsites":2,"nelements":2,"elements":["H","Br"],"chemical_system":"Br-H","density":2.3314997790365335,"density_atomic":0.0347059280895231,"volume":57.62704270120794,"volume_molar":17.351908136460242,"formula_full":"H1 Br1","formula_reduced":"HBr","formula_anonymous":"AB","energy":-5.44598591,"energy_per_atom":-2.722992955,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-4.91198591,"band_gap":1.4833,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":0.0006634,"is_theoretical":true,"updated_at":"2021-11-28T01:38:27.148000Z","spacegroup":69},{"id":"mp-2434","created_at":"2022-09-04T14:44:19.439744Z","structure_string":"Sr1 Tl1\n1.0\n4.116750 0.000000 0.000000\n0.000000 4.116750 0.000000\n0.000000 0.000000 4.116750\nSr Tl\n1 1\ndirect\n0.000000 0.000000 0.000000 Sr\n0.500000 0.500000 0.500000 Tl\n","nsites":2,"nelements":2,"elements":["Sr","Tl"],"chemical_system":"Sr-Tl","density":6.9498170868687685,"density_atomic":0.028665961492791558,"volume":69.76915811817186,"volume_molar":21.007984544716383,"formula_full":"Sr1 Tl1","formula_reduced":"SrTl","formula_anonymous":"AB","energy":-4.91307587,"energy_per_atom":-2.456537935,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-4.91307587,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":0.002336,"is_theoretical":false,"updated_at":"2021-11-28T01:36:39.424000Z","spacegroup":221},{"id":"mp-684580","created_at":"2022-09-04T14:47:57.679058Z","structure_string":"Ag1 I1\n1.0\n-2.394580 2.394580 3.194773\n2.394580 -2.394580 3.194773\n2.394580 2.394580 -3.194773\nAg I\n1 1\ndirect\n0.250000 0.750000 0.500000 Ag\n0.000000 0.000000 0.000000 I\n","nsites":2,"nelements":2,"elements":["Ag","I"],"chemical_system":"Ag-I","density":5.320322248904008,"density_atomic":0.027294258298916935,"volume":73.27548446624623,"volume_molar":22.063764085646408,"formula_full":"Ag1 I1","formula_reduced":"AgI","formula_anonymous":"AB","energy":-5.29475304,"energy_per_atom":-2.64737652,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-4.91575304,"band_gap":1.704,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":0.0001455,"is_theoretical":true,"updated_at":"2021-11-28T01:38:23.401000Z","spacegroup":119},{"id":"mp-1058798","created_at":"2022-09-04T14:40:16.747240Z","structure_string":"Li1 Be1\n1.0\n2.811153 0.000000 0.000000\n0.000000 2.811153 0.000000\n0.000000 0.000000 2.811153\nLi Be\n1 1\ndirect\n0.000000 0.000000 0.000000 Li\n0.500000 0.500000 0.500000 Be\n","nsites":2,"nelements":2,"elements":["Li","Be"],"chemical_system":"Be-Li","density":1.1924576600109447,"density_atomic":0.09002778105844694,"volume":22.21536481835068,"volume_molar":6.689202698542981,"formula_full":"Li1 Be1","formula_reduced":"LiBe","formula_anonymous":"AB","energy":-4.91636887,"energy_per_atom":-2.458184435,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-4.91636887,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":0.0014896,"is_theoretical":false,"updated_at":"2021-11-28T01:34:53.534000Z","spacegroup":221}]}