{"count":146323,"next":"https://simmate.org/third-parties/MatprojStructure/?format=json&ordering=-volume_molar&page=23","previous":"https://simmate.org/third-parties/MatprojStructure/?format=json&ordering=-volume_molar&page=21","results":[{"id":"mp-1093874","created_at":"2022-09-04T14:39:25.058330Z","structure_string":"Cs2 Hg1 Se1\n1.0\n-6.697850 7.178748 9.387621\n6.697850 -7.178748 9.387621\n6.697850 7.178748 -9.387621\nCs Hg Se\n2 1 1\ndirect\n0.786125 0.000000 0.786125 Cs\n0.213875 0.000000 0.213875 Cs\n0.500000 0.000000 0.500000 Hg\n0.000000 0.000000 0.000000 Se\n","nsites":4,"nelements":3,"elements":["Cs","Hg","Se"],"chemical_system":"Cs-Hg-Se","density":0.5015721724843325,"density_atomic":0.002215441704014194,"volume":1805.509029080899,"volume_molar":271.8257379144027,"formula_full":"Cs2 Hg1 Se1","formula_reduced":"Cs2HgSe","formula_anonymous":"ABC2","energy":-6.833578360000001,"energy_per_atom":-1.7083945900000002,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-6.36157836,"band_gap":0.8032000000000001,"is_gap_direct":true,"is_magnetic":false,"total_magnetization":0.0002071,"is_theoretical":true,"updated_at":"2021-11-28T01:34:40.720000Z","spacegroup":71},{"id":"mp-1097521","created_at":"2022-09-04T14:45:22.026942Z","structure_string":"Ca2 Tl1 Ga1\n1.0\n-6.054758 7.338699 10.157767\n6.054758 -7.338699 10.157767\n6.054758 7.338699 -10.157767\nCa Tl Ga\n2 1 1\ndirect\n0.000000 0.241451 0.241451 Ca\n0.000000 0.758549 0.758549 Ca\n0.000000 0.500000 0.500000 Tl\n0.000000 0.000000 0.000000 Ga\n","nsites":4,"nelements":3,"elements":["Ca","Tl","Ga"],"chemical_system":"Ca-Ga-Tl","density":0.325836650243054,"density_atomic":0.002215572103730671,"volume":1805.4027640376207,"volume_molar":271.80973933819047,"formula_full":"Ca2 Tl1 Ga1","formula_reduced":"Ca2TlGa","formula_anonymous":"ABC2","energy":-4.1498721,"energy_per_atom":-1.037468025,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-4.1498721,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":true,"total_magnetization":2.1055238,"is_theoretical":true,"updated_at":"2021-11-28T01:37:01.717000Z","spacegroup":71},{"id":"mp-1096236","created_at":"2022-09-04T14:41:22.901171Z","structure_string":"Ba2 Ga1 Hg1\n1.0\n-6.824689 6.919959 9.552362\n6.824689 -6.919959 9.552362\n6.824689 6.919959 -9.552362\nBa Ga Hg\n2 1 1\ndirect\n0.231248 0.000000 0.231248 Ba\n0.768752 0.000000 0.768752 Ba\n0.000000 0.000000 0.000000 Ga\n0.500000 0.000000 0.500000 Hg\n","nsites":4,"nelements":3,"elements":["Ba","Ga","Hg"],"chemical_system":"Ba-Ga-Hg","density":0.5014898550690652,"density_atomic":0.0022166791735878113,"volume":1804.5010968031927,"volume_molar":271.6739901630803,"formula_full":"Ba2 Ga1 Hg1","formula_reduced":"Ba2GaHg","formula_anonymous":"ABC2","energy":-3.2186426,"energy_per_atom":-0.80466065,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-3.2186426,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":true,"total_magnetization":2.6378864,"is_theoretical":true,"updated_at":"2021-11-28T01:35:11.568000Z","spacegroup":71},{"id":"mp-1095766","created_at":"2022-09-04T14:46:16.814372Z","structure_string":"Sr1 Mg1 Cd2\n1.0\n-6.776225 6.940191 9.586307\n6.776225 -6.940191 9.586307\n6.776225 6.940191 -9.586307\nSr Mg Cd\n1 1 2\ndirect\n0.500000 0.000000 0.500000 Sr\n0.000000 0.000000 0.000000 Mg\n0.765423 0.000000 0.765423 Cd\n0.234577 0.000000 0.234577 Cd\n","nsites":4,"nelements":3,"elements":["Sr","Mg","Cd"],"chemical_system":"Cd-Mg-Sr","density":0.3100860776937939,"density_atomic":0.0022181424134245,"volume":1803.3107233293294,"volume_molar":271.494775247666,"formula_full":"Sr1 Mg1 Cd2","formula_reduced":"SrMgCd2","formula_anonymous":"ABC2","energy":-1.09800768,"energy_per_atom":-0.27450192,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-1.09800768,"band_gap":0.2513000000000001,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":0.0001392,"is_theoretical":true,"updated_at":"2021-11-28T01:37:26.541000Z","spacegroup":71},{"id":"mp-1096148","created_at":"2022-09-04T14:47:28.760524Z","structure_string":"Ba2 Zn1 Hg1\n1.0\n-6.820881 6.854115 9.634875\n6.820881 -6.854115 9.634875\n6.820881 6.854115 -9.634875\nBa Zn Hg\n2 1 1\ndirect\n0.251619 0.000000 0.251619 Ba\n0.748381 0.000000 0.748381 Ba\n0.000000 0.000000 0.000000 Zn\n0.500000 0.000000 0.500000 Hg\n","nsites":4,"nelements":3,"elements":["Ba","Zn","Hg"],"chemical_system":"Ba-Hg-Zn","density":0.49827578167068304,"density_atomic":0.0022200464220539637,"volume":1801.7641254092523,"volume_molar":271.2619294883202,"formula_full":"Ba2 Zn1 Hg1","formula_reduced":"Ba2ZnHg","formula_anonymous":"ABC2","energy":-1.21157118,"energy_per_atom":-0.302892795,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-1.21157118,"band_gap":0.0318,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":1.9997771,"is_theoretical":true,"updated_at":"2021-11-28T01:38:09.681000Z","spacegroup":71},{"id":"mp-1096314","created_at":"2022-09-04T14:46:30.990262Z","structure_string":"La2 Ag1 Pb1\n1.0\n-5.871692 7.335971 10.454955\n5.871692 -7.335971 10.454955\n5.871692 7.335971 -10.454955\nLa Ag Pb\n2 1 1\ndirect\n0.000000 0.246225 0.246225 La\n0.000000 0.753775 0.753775 La\n0.000000 0.000000 0.000000 Ag\n0.000000 0.500000 0.500000 Pb\n","nsites":4,"nelements":3,"elements":["La","Ag","Pb"],"chemical_system":"Ag-La-Pb","density":0.5465277726003354,"density_atomic":0.0022205316091815155,"volume":1801.3704391600145,"volume_molar":271.2026586381156,"formula_full":"La2 Ag1 Pb1","formula_reduced":"La2AgPb","formula_anonymous":"ABC2","energy":-9.60053618,"energy_per_atom":-2.400134045,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-9.60053618,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":true,"total_magnetization":0.9999854,"is_theoretical":true,"updated_at":"2021-11-28T01:37:31.948000Z","spacegroup":71},{"id":"mp-1095980","created_at":"2022-09-04T14:40:41.770689Z","structure_string":"Ba1 Ca1 Tl2\n1.0\n-6.102037 7.202599 10.178816\n6.102037 -7.202599 10.178816\n6.102037 7.202599 -10.178816\nBa Ca Tl\n1 1 2\ndirect\n0.000000 0.500000 0.500000 Ba\n0.000000 0.000000 0.000000 Ca\n0.000000 0.243561 0.243561 Tl\n0.000000 0.756439 0.756439 Tl\n","nsites":4,"nelements":3,"elements":["Ba","Ca","Tl"],"chemical_system":"Ba-Ca-Tl","density":0.5439419355610746,"density_atomic":0.002235314643253034,"volume":1789.4572525051035,"volume_molar":269.4090864647149,"formula_full":"Ba1 Ca1 Tl2","formula_reduced":"BaCaTl2","formula_anonymous":"ABC2","energy":-3.69003811,"energy_per_atom":-0.9225095275,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-3.69003811,"band_gap":0.0543,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":0.0002325,"is_theoretical":true,"updated_at":"2021-11-28T01:35:06.581000Z","spacegroup":71},{"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-1096010","created_at":"2022-09-04T14:46:41.251232Z","structure_string":"Cs2 I1 Br1\n1.0\n-6.743196 6.946807 9.545157\n6.743196 -6.946807 9.545157\n6.743196 6.946807 -9.545157\nCs I Br\n2 1 1\ndirect\n0.758990 0.000000 0.758990 Cs\n0.241010 0.000000 0.241010 Cs\n0.500000 0.000000 0.500000 I\n0.000000 0.000000 0.000000 Br\n","nsites":4,"nelements":3,"elements":["Cs","I","Br"],"chemical_system":"Br-Cs-I","density":0.4387999142202584,"density_atomic":0.002236484576226247,"volume":1788.521165099845,"volume_molar":269.2681552117616,"formula_full":"Cs2 I1 Br1","formula_reduced":"Cs2IBr","formula_anonymous":"ABC2","energy":-10.9574046,"energy_per_atom":-2.73935115,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-10.0444046,"band_gap":3.714,"is_gap_direct":true,"is_magnetic":false,"total_magnetization":0.0,"is_theoretical":true,"updated_at":"2021-11-28T01:37:48.284000Z","spacegroup":71},{"id":"mp-1096694","created_at":"2022-09-04T14:46:54.279690Z","structure_string":"Sr2 Tl1 Hg1\n1.0\n-6.738291 6.865182 9.662687\n6.738291 -6.865182 9.662687\n6.738291 6.865182 -9.662687\nSr Tl Hg\n2 1 1\ndirect\n0.000000 0.260697 0.260697 Sr\n0.000000 0.739303 0.739303 Sr\n0.000000 0.500000 0.500000 Tl\n0.000000 0.000000 0.000000 Hg\n","nsites":4,"nelements":3,"elements":["Sr","Tl","Hg"],"chemical_system":"Hg-Sr-Tl","density":0.538861376831591,"density_atomic":0.0022371766124828097,"volume":1787.967913521506,"volume_molar":269.18486123975043,"formula_full":"Sr2 Tl1 Hg1","formula_reduced":"Sr2TlHg","formula_anonymous":"ABC2","energy":-2.36074623,"energy_per_atom":-0.5901865575,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-2.36074623,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":true,"total_magnetization":1.2844207,"is_theoretical":true,"updated_at":"2021-11-28T01:37:44.577000Z","spacegroup":71},{"id":"mp-1093935","created_at":"2022-09-04T14:41:19.900384Z","structure_string":"Sr2 Tl1 Ga1\n1.0\n-6.441521 7.022453 9.867292\n6.441521 -7.022453 9.867292\n6.441521 7.022453 -9.867292\nSr Tl Ga\n2 1 1\ndirect\n0.000000 0.238828 0.238828 Sr\n0.000000 0.761172 0.761172 Sr\n0.000000 0.500000 0.500000 Tl\n0.000000 0.000000 0.000000 Ga\n","nsites":4,"nelements":3,"elements":["Sr","Tl","Ga"],"chemical_system":"Ga-Sr-Tl","density":0.41792180171955423,"density_atomic":0.002240395808308836,"volume":1785.398805499195,"volume_molar":268.7980729863004,"formula_full":"Sr2 Tl1 Ga1","formula_reduced":"Sr2TlGa","formula_anonymous":"ABC2","energy":-3.85411723,"energy_per_atom":-0.9635293075,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-3.85411723,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":true,"total_magnetization":1.9808662,"is_theoretical":true,"updated_at":"2021-11-28T01:35:18.415000Z","spacegroup":71},{"id":"mp-1096502","created_at":"2022-09-04T14:42:05.326170Z","structure_string":"Ba2 Hg1 Sb1\n1.0\n-6.800591 6.867817 9.496631\n6.800591 -6.867817 9.496631\n6.800591 6.867817 -9.496631\nBa Hg Sb\n2 1 1\ndirect\n0.224088 0.000000 0.224088 Ba\n0.775912 0.000000 0.775912 Ba\n0.500000 0.000000 0.500000 Hg\n0.000000 0.000000 0.000000 Sb\n","nsites":4,"nelements":3,"elements":["Ba","Hg","Sb"],"chemical_system":"Ba-Hg-Sb","density":0.5587678536721203,"density_atomic":0.002254576966411921,"volume":1774.1687507638553,"volume_molar":267.1073487273324,"formula_full":"Ba2 Hg1 Sb1","formula_reduced":"Ba2HgSb","formula_anonymous":"ABC2","energy":-6.4025225,"energy_per_atom":-1.600630625,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-6.2105225,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":0.0051561,"is_theoretical":true,"updated_at":"2021-11-28T01:35:32.285000Z","spacegroup":71}]}