{"count":146323,"next":"https://simmate.org/third-parties/MatprojStructure/?format=json&ordering=-density_atomic&page=12163","previous":"https://simmate.org/third-parties/MatprojStructure/?format=json&ordering=-density_atomic&page=12161","results":[{"id":"mp-1095971","created_at":"2022-09-04T14:39:48.368982Z","structure_string":"Sr2 Mg1 In1\n1.0\n-6.143645 6.902114 9.188986\n6.143645 -6.902114 9.188986\n6.143645 6.902114 -9.188986\nSr Mg In\n2 1 1\ndirect\n0.733437 0.000000 0.733437 Sr\n0.266563 0.000000 0.266563 Sr\n0.000000 0.000000 0.000000 Mg\n0.500000 0.000000 0.500000 In\n","nsites":4,"nelements":3,"elements":["Sr","Mg","In"],"chemical_system":"In-Mg-Sr","density":0.33492278975094364,"density_atomic":0.0025663989519238376,"volume":1558.6041277804834,"volume_molar":234.65333616527744,"formula_full":"Sr2 Mg1 In1","formula_reduced":"Sr2MgIn","formula_anonymous":"ABC2","energy":-2.63903674,"energy_per_atom":-0.659759185,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-2.63903674,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":true,"total_magnetization":1.7247893,"is_theoretical":true,"updated_at":"2021-11-28T01:34:44.036000Z","spacegroup":71},{"id":"mp-1097248","created_at":"2022-09-04T14:45:30.237045Z","structure_string":"Y2 Mg1 Tl1\n1.0\n-6.277254 6.636493 9.354688\n6.277254 -6.636493 9.354688\n6.277254 6.636493 -9.354688\nY Mg Tl\n2 1 1\ndirect\n0.000000 0.268848 0.268848 Y\n0.000000 0.731152 0.731152 Y\n0.000000 0.000000 0.000000 Mg\n0.000000 0.500000 0.500000 Tl\n","nsites":4,"nelements":3,"elements":["Y","Mg","Tl"],"chemical_system":"Mg-Tl-Y","density":0.4330240383924294,"density_atomic":0.0025660336654996607,"volume":1558.8260020825237,"volume_molar":234.68674012222527,"formula_full":"Y2 Mg1 Tl1","formula_reduced":"Y2MgTl","formula_anonymous":"ABC2","energy":-8.33638585,"energy_per_atom":-2.0840964625,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-8.33638585,"band_gap":0.104,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":0.9998022,"is_theoretical":true,"updated_at":"2021-11-28T01:37:01.390000Z","spacegroup":71},{"id":"mp-1097189","created_at":"2022-09-04T14:42:15.114745Z","structure_string":"Sr2 Ag1 Sn1\n1.0\n-6.360781 6.585447 9.305209\n6.360781 -6.585447 9.305209\n6.360781 6.585447 -9.305209\nSr Ag Sn\n2 1 1\ndirect\n0.000000 0.248863 0.248863 Sr\n0.000000 0.751137 0.751137 Sr\n0.000000 0.000000 0.000000 Ag\n0.000000 0.500000 0.500000 Sn\n","nsites":4,"nelements":3,"elements":["Sr","Ag","Sn"],"chemical_system":"Ag-Sn-Sr","density":0.4279537889769045,"density_atomic":0.00256553631158059,"volume":1559.1281955138875,"volume_molar":234.73223640673578,"formula_full":"Sr2 Ag1 Sn1","formula_reduced":"Sr2AgSn","formula_anonymous":"ABC2","energy":-6.11470467,"energy_per_atom":-1.5286761675,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-6.11470467,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":true,"total_magnetization":1.999809,"is_theoretical":true,"updated_at":"2021-11-28T01:35:38.346000Z","spacegroup":71},{"id":"mp-1207372","created_at":"2022-09-04T14:42:49.586351Z","structure_string":"Rb1 Er3 O6\n1.0\n5.780732 -7.563063 0.000000\n5.780732 7.563063 0.000000\n0.000000 0.000000 44.586961\nRb Er O\n1 3 6\ndirect\n0.000000 0.000000 0.000000 Rb\n0.000000 0.000000 0.500000 Er\n0.500000 0.000000 0.000000 Er\n0.000000 0.500000 0.000000 Er\n0.000000 0.000000 0.231013 O\n0.000000 0.000000 0.768987 O\n0.301140 0.023500 0.000000 O\n0.698860 0.976500 0.000000 O\n0.023500 0.301140 0.000000 O\n0.976500 0.698860 0.000000 O\n","nsites":10,"nelements":3,"elements":["Rb","Er","O"],"chemical_system":"Er-O-Rb","density":0.2910078622775649,"density_atomic":0.002564965797595071,"volume":3898.687463737749,"volume_molar":234.7844468587612,"formula_full":"Rb1 Er3 O6","formula_reduced":"RbEr3O6","formula_anonymous":"AB3C6","energy":-43.42101846,"energy_per_atom":-4.342101846,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-39.29901846,"band_gap":0.1148999999999995,"is_gap_direct":false,"is_magnetic":true,"total_magnetization":5.5405257,"is_theoretical":true,"updated_at":"2021-11-28T01:35:50.456000Z","spacegroup":65},{"id":"mp-1097156","created_at":"2022-09-04T14:43:01.484187Z","structure_string":"Ca1 Tl2 Pb1\n1.0\n-6.233171 6.751380 9.270306\n6.233171 -6.751380 9.270306\n6.233171 6.751380 -9.270306\nCa Tl Pb\n1 2 1\ndirect\n0.000000 0.000000 0.000000 Ca\n0.000000 0.266097 0.266097 Tl\n0.000000 0.733903 0.733903 Tl\n0.000000 0.500000 0.500000 Pb\n","nsites":4,"nelements":3,"elements":["Ca","Tl","Pb"],"chemical_system":"Ca-Pb-Tl","density":0.698114738892654,"density_atomic":0.0025633289112935746,"volume":1560.470832430714,"volume_molar":234.9343751193033,"formula_full":"Ca1 Tl2 Pb1","formula_reduced":"CaTl2Pb","formula_anonymous":"ABC2","energy":-5.9925486,"energy_per_atom":-1.49813715,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-5.9925486,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":5.9e-06,"is_theoretical":true,"updated_at":"2021-11-28T01:36:03.752000Z","spacegroup":71},{"id":"mp-1096403","created_at":"2022-09-04T14:41:05.401929Z","structure_string":"Ca2 Mg1 Hg1\n1.0\n-6.281515 6.990040 8.888740\n6.281515 -6.990040 8.888740\n6.281515 6.990040 -8.888740\nCa Mg Hg\n2 1 1\ndirect\n0.741281 0.000000 0.741281 Ca\n0.258719 0.000000 0.258719 Ca\n0.000000 0.000000 0.000000 Mg\n0.500000 0.000000 0.500000 Hg\n","nsites":4,"nelements":3,"elements":["Ca","Mg","Hg"],"chemical_system":"Ca-Hg-Mg","density":0.32447205095369036,"density_atomic":0.0025622159759571767,"volume":1561.1486453657385,"volume_molar":235.036422241895,"formula_full":"Ca2 Mg1 Hg1","formula_reduced":"Ca2MgHg","formula_anonymous":"ABC2","energy":-1.32382565,"energy_per_atom":-0.3309564125,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-1.32382565,"band_gap":0.2777000000000003,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":8.6e-06,"is_theoretical":true,"updated_at":"2021-11-28T01:35:16.725000Z","spacegroup":71},{"id":"mp-1095997","created_at":"2022-09-04T14:39:28.485005Z","structure_string":"K1 Hg2 Bi1\n1.0\n-6.496422 6.585593 9.139061\n6.496422 -6.585593 9.139061\n6.496422 6.585593 -9.139061\nK Hg Bi\n1 2 1\ndirect\n0.000000 0.000000 0.000000 K\n0.741889 0.000000 0.741889 Hg\n0.258111 0.000000 0.258111 Hg\n0.500000 0.000000 0.500000 Bi\n","nsites":4,"nelements":3,"elements":["K","Hg","Bi"],"chemical_system":"Bi-Hg-K","density":0.689344305502054,"density_atomic":0.002557580478334705,"volume":1563.9781558719453,"volume_molar":235.46241500565188,"formula_full":"K1 Hg2 Bi1","formula_reduced":"KHg2Bi","formula_anonymous":"ABC2","energy":-3.59289723,"energy_per_atom":-0.8982243075,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-3.59289723,"band_gap":0.1276999999999999,"is_gap_direct":false,"is_magnetic":true,"total_magnetization":2.0000838,"is_theoretical":true,"updated_at":"2021-11-28T01:34:42.522000Z","spacegroup":71},{"id":"mp-1095752","created_at":"2022-09-04T14:39:18.644312Z","structure_string":"Cs1 K1 Au2\n1.0\n-6.401265 6.568227 9.312422\n6.401265 -6.568227 9.312422\n6.401265 6.568227 -9.312422\nCs K Au\n1 1 2\ndirect\n0.000000 0.500000 0.500000 Cs\n0.000000 0.000000 0.000000 K\n0.000000 0.240059 0.240059 Au\n0.000000 0.759941 0.759941 Au\n","nsites":4,"nelements":3,"elements":["Cs","K","Au"],"chemical_system":"Au-Cs-K","density":0.600040413327613,"density_atomic":0.002554014694207142,"volume":1566.1617018385023,"volume_molar":235.79115553481532,"formula_full":"Cs1 K1 Au2","formula_reduced":"CsKAu2","formula_anonymous":"ABC2","energy":-8.09277375,"energy_per_atom":-2.0231934375,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-8.09277375,"band_gap":2.9062,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":1.5e-06,"is_theoretical":true,"updated_at":"2021-11-28T01:34:32.075000Z","spacegroup":71},{"id":"mp-1093748","created_at":"2022-09-04T14:43:15.775270Z","structure_string":"Rb2 Au1 I1\n1.0\n-6.467235 6.623159 9.146578\n6.467235 -6.623159 9.146578\n6.467235 6.623159 -9.146578\nRb Au I\n2 1 1\ndirect\n0.257245 0.000000 0.257245 Rb\n0.742755 0.000000 0.742755 Rb\n0.500000 0.000000 0.500000 Au\n0.000000 0.000000 0.000000 I\n","nsites":4,"nelements":3,"elements":["Rb","Au","I"],"chemical_system":"Au-I-Rb","density":0.5243027777266706,"density_atomic":0.002552451709864905,"volume":1567.1207351506407,"volume_molar":235.93554137479595,"formula_full":"Rb2 Au1 I1","formula_reduced":"Rb2AuI","formula_anonymous":"ABC2","energy":-9.08328508,"energy_per_atom":-2.27082127,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-8.70428508,"band_gap":3.1823999999999995,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":0.0004766,"is_theoretical":true,"updated_at":"2021-11-28T01:36:12.432000Z","spacegroup":71},{"id":"mp-1096160","created_at":"2022-09-04T14:45:59.545149Z","structure_string":"Sr2 In1 Hg1\n1.0\n-6.607176 6.733677 8.811030\n6.607176 -6.733677 8.811030\n6.607176 6.733677 -8.811030\nSr In Hg\n2 1 1\ndirect\n0.759600 0.000000 0.759600 Sr\n0.240400 0.000000 0.240400 Sr\n0.000000 0.000000 0.000000 In\n0.500000 0.000000 0.500000 Hg\n","nsites":4,"nelements":3,"elements":["Sr","In","Hg"],"chemical_system":"Hg-In-Sr","density":0.5195942102289478,"density_atomic":0.0025509689008503815,"volume":1568.0316599181492,"volume_molar":236.07268430408863,"formula_full":"Sr2 In1 Hg1","formula_reduced":"Sr2InHg","formula_anonymous":"ABC2","energy":-2.59934461,"energy_per_atom":-0.6498361525,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-2.59934461,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":true,"total_magnetization":1.9998226,"is_theoretical":true,"updated_at":"2021-11-28T01:37:17.424000Z","spacegroup":71},{"id":"mp-1093659","created_at":"2022-09-04T14:39:13.755492Z","structure_string":"Ca2 Al1 Tl1\n1.0\n-6.144115 6.691737 9.544502\n6.144115 -6.691737 9.544502\n6.144115 6.691737 -9.544502\nCa Al Tl\n2 1 1\ndirect\n0.000000 0.242329 0.242329 Ca\n0.000000 0.757671 0.757671 Ca\n0.000000 0.000000 0.000000 Al\n0.000000 0.500000 0.500000 Tl\n","nsites":4,"nelements":3,"elements":["Ca","Al","Tl"],"chemical_system":"Al-Ca-Tl","density":0.32955259547917376,"density_atomic":0.0025482881047749766,"volume":1569.6812273717437,"volume_molar":236.32103248905514,"formula_full":"Ca2 Al1 Tl1","formula_reduced":"Ca2AlTl","formula_anonymous":"ABC2","energy":-4.24739645,"energy_per_atom":-1.0618491125,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-4.24739645,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":2.2821743,"is_theoretical":true,"updated_at":"2021-11-28T01:34:33.585000Z","spacegroup":71},{"id":"mp-1097338","created_at":"2022-09-04T14:39:16.740144Z","structure_string":"Ca2 Zn1 Pb1\n1.0\n-6.245206 6.669501 9.428726\n6.245206 -6.669501 9.428726\n6.245206 6.669501 -9.428726\nCa Zn Pb\n2 1 1\ndirect\n0.000000 0.257838 0.257838 Ca\n0.000000 0.742162 0.742162 Ca\n0.000000 0.000000 0.000000 Zn\n0.000000 0.500000 0.500000 Pb\n","nsites":4,"nelements":3,"elements":["Ca","Zn","Pb"],"chemical_system":"Ca-Pb-Zn","density":0.37289062965291175,"density_atomic":0.002546284195575974,"volume":1570.9165563489637,"volume_molar":236.5070156136983,"formula_full":"Ca2 Zn1 Pb1","formula_reduced":"Ca2ZnPb","formula_anonymous":"ABC2","energy":-4.16892501,"energy_per_atom":-1.0422312525,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-4.16892501,"band_gap":0.0054000000000002,"is_gap_direct":false,"is_magnetic":true,"total_magnetization":1.9998866,"is_theoretical":true,"updated_at":"2021-11-28T01:34:44.191000Z","spacegroup":71}]}