{"count":146323,"next":"https://simmate.org/third-parties/MatprojStructure/?format=json&ordering=-energy_uncorrected&page=54","previous":"https://simmate.org/third-parties/MatprojStructure/?format=json&ordering=-energy_uncorrected&page=52","results":[{"id":"mp-1058944","created_at":"2022-09-04T14:41:19.157717Z","structure_string":"K1 Si1\n1.0\n0.000000 3.389798 3.389798\n3.389798 0.000000 3.389798\n3.389798 3.389798 0.000000\nK Si\n1 1\ndirect\n0.000000 0.000000 0.000000 K\n0.500000 0.500000 0.500000 Si\n","nsites":2,"nelements":2,"elements":["K","Si"],"chemical_system":"K-Si","density":1.4320632796431372,"density_atomic":0.02567311360839522,"volume":77.90251040473686,"volume_molar":23.456994160734496,"formula_full":"K1 Si1","formula_reduced":"KSi","formula_anonymous":"AB","energy":-4.11183863,"energy_per_atom":-2.055919315,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-4.18283863,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":true,"total_magnetization":1.1856937,"is_theoretical":false,"updated_at":"2021-11-28T01:35:10.581000Z","spacegroup":225},{"id":"mp-1912","created_at":"2022-09-04T14:48:14.072596Z","structure_string":"Zn1 Ag1\n1.0\n3.191211 0.000000 0.000000\n0.000000 3.191211 0.000000\n0.000000 0.000000 3.191211\nZn Ag\n1 1\ndirect\n0.500000 0.500000 0.500000 Zn\n0.000000 0.000000 0.000000 Ag\n","nsites":2,"nelements":2,"elements":["Zn","Ag"],"chemical_system":"Ag-Zn","density":8.853682791786275,"density_atomic":0.06154084211304468,"volume":32.49874280768193,"volume_molar":9.785600185544908,"formula_full":"Zn1 Ag1","formula_reduced":"ZnAg","formula_anonymous":"AB","energy":-4.19151912,"energy_per_atom":-2.09575956,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-4.19151912,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":0.0002065,"is_theoretical":false,"updated_at":"2021-11-28T01:38:41.726000Z","spacegroup":221},{"id":"mp-1097074","created_at":"2022-09-04T14:46:42.829371Z","structure_string":"Li1 Ca1 Tl2\n1.0\n-5.939552 6.510142 9.535240\n5.939552 -6.510142 9.535240\n5.939552 6.510142 -9.535240\nLi Ca Tl\n1 1 2\ndirect\n0.000000 0.000000 0.000000 Li\n0.000000 0.500000 0.500000 Ca\n0.000000 0.228377 0.228377 Tl\n0.000000 0.771623 0.771623 Tl\n","nsites":4,"nelements":3,"elements":["Li","Ca","Tl"],"chemical_system":"Ca-Li-Tl","density":0.5131849684912838,"density_atomic":0.0027122156709107766,"volume":1474.8089699875447,"volume_molar":222.03768028439026,"formula_full":"Li1 Ca1 Tl2","formula_reduced":"LiCaTl2","formula_anonymous":"ABC2","energy":-4.19766076,"energy_per_atom":-1.04941519,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-4.19766076,"band_gap":0.0486999999999997,"is_gap_direct":false,"is_magnetic":true,"total_magnetization":2.9994833,"is_theoretical":true,"updated_at":"2021-11-28T01:37:50.233000Z","spacegroup":71},{"id":"mp-1210811","created_at":"2022-09-04T14:47:58.287691Z","structure_string":"Na9 Hg1\n1.0\n6.675720 -11.568252 0.000000\n6.675720 11.568252 0.000000\n0.000000 0.000000 32.897133\nNa Hg\n9 1\ndirect\n0.000000 0.000000 0.248294 Na\n0.000000 0.000000 0.751706 Na\n0.252157 0.996765 0.000000 Na\n0.747843 0.003235 0.000000 Na\n0.996765 0.252157 0.000000 Na\n0.003235 0.747843 0.000000 Na\n0.000000 0.000000 0.500000 Na\n0.500000 0.000000 0.000000 Na\n0.000000 0.500000 0.000000 Na\n0.000000 0.000000 0.000000 Hg\n","nsites":10,"nelements":2,"elements":["Na","Hg"],"chemical_system":"Hg-Na","density":0.13317435370757058,"density_atomic":0.0019680951917459485,"volume":5081.055043444692,"volume_molar":305.98828680931854,"formula_full":"Na9 Hg1","formula_reduced":"Na9Hg","formula_anonymous":"AB9","energy":-4.20269748,"energy_per_atom":-0.42026974800000005,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-4.20269748,"band_gap":0.0583,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":3.9940814,"is_theoretical":true,"updated_at":"2021-11-28T01:38:24.711000Z","spacegroup":65},{"id":"mp-820","created_at":"2022-09-04T14:40:32.359212Z","structure_string":"Hg1 Se1\n1.0\n0.000000 3.137141 3.137141\n3.137141 0.000000 3.137141\n3.137141 3.137141 0.000000\nHg Se\n1 1\ndirect\n0.000000 0.000000 0.000000 Hg\n0.750000 0.750000 0.750000 Se\n","nsites":2,"nelements":2,"elements":["Hg","Se"],"chemical_system":"Hg-Se","density":7.517552718899584,"density_atomic":0.032389025690988345,"volume":61.7493103707798,"volume_molar":18.593151944288188,"formula_full":"Hg1 Se1","formula_reduced":"HgSe","formula_anonymous":"AB","energy":-4.68306948,"energy_per_atom":-2.34153474,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-4.21106948,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":4.84e-05,"is_theoretical":false,"updated_at":"2021-11-28T01:35:01.236000Z","spacegroup":216},{"id":"mp-1185119","created_at":"2022-09-04T14:40:31.928720Z","structure_string":"K3 Rb1\n1.0\n-3.302089 3.302089 7.130011\n3.302089 -3.302089 7.130011\n3.302089 3.302089 -7.130011\nK Rb\n3 1\ndirect\n0.750000 0.250000 0.500000 K\n0.250000 0.750000 0.500000 K\n0.500000 0.500000 0.000000 K\n0.000000 0.000000 0.000000 Rb\n","nsites":4,"nelements":2,"elements":["K","Rb"],"chemical_system":"K-Rb","density":1.0827032066049205,"density_atomic":0.01286270327576311,"volume":310.97662087386453,"volume_molar":46.818624599289166,"formula_full":"K3 Rb1","formula_reduced":"K3Rb","formula_anonymous":"AB3","energy":-4.22313405,"energy_per_atom":-1.0557835125,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-4.22313405,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":0.0469025,"is_theoretical":true,"updated_at":"2021-11-28T01:34:59.204000Z","spacegroup":139},{"id":"mp-1179832","created_at":"2022-09-04T14:42:54.098237Z","structure_string":"Rb8\n1.0\n-13.000871 13.000871 6.192701\n13.000871 -13.000871 6.192701\n13.000871 13.000871 -6.192701\nRb\n8\ndirect\n0.210183 0.086187 0.296370 Rb\n0.086187 0.789817 0.876005 Rb\n0.210183 0.913813 0.123995 Rb\n0.789817 0.913813 0.703630 Rb\n0.789817 0.086187 0.876005 Rb\n0.086187 0.210183 0.296370 Rb\n0.913813 0.210183 0.123995 Rb\n0.913813 0.789817 0.703630 Rb\n","nsites":8,"nelements":1,"elements":["Rb"],"chemical_system":"Rb","density":0.27117934564032864,"density_atomic":0.0019107549173081662,"volume":4186.826854419531,"volume_molar":315.17075818828056,"formula_full":"Rb8","formula_reduced":"Rb","formula_anonymous":"A","energy":-4.22407837,"energy_per_atom":-0.52800979625,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-4.22407837,"band_gap":0.1102999999999998,"is_gap_direct":true,"is_magnetic":false,"total_magnetization":1.8808979,"is_theoretical":false,"updated_at":"2021-11-28T01:35:55.898000Z","spacegroup":139},{"id":"mp-1096716","created_at":"2022-09-04T14:41:11.588042Z","structure_string":"Ca1 Y1 Cd2\n1.0\n-6.449112 6.484018 9.170540\n6.449112 -6.484018 9.170540\n6.449112 6.484018 -9.170540\nCa Y Cd\n1 1 2\ndirect\n0.000000 0.000000 0.000000 Ca\n0.000000 0.500000 0.500000 Y\n0.000000 0.255929 0.255929 Cd\n0.000000 0.744071 0.744071 Cd\n","nsites":4,"nelements":3,"elements":["Ca","Y","Cd"],"chemical_system":"Ca-Cd-Y","density":0.38301437600139276,"density_atomic":0.002607720009356604,"volume":1533.9070090530577,"volume_molar":230.9350980317027,"formula_full":"Ca1 Y1 Cd2","formula_reduced":"CaYCd2","formula_anonymous":"ABC2","energy":-4.22667022,"energy_per_atom":-1.056667555,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-4.22667022,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":true,"total_magnetization":1.2437243,"is_theoretical":true,"updated_at":"2021-11-28T01:35:09.913000Z","spacegroup":71},{"id":"mp-1096726","created_at":"2022-09-04T14:42:19.617879Z","structure_string":"Ba1 Na2 Sn1\n1.0\n-6.894444 7.237143 10.015856\n6.894444 -7.237143 10.015856\n6.894444 7.237143 -10.015856\nBa Na Sn\n1 2 1\ndirect\n0.000000 0.500000 0.500000 Ba\n0.000000 0.216022 0.216022 Na\n0.000000 0.783978 0.783978 Na\n0.000000 0.000000 0.000000 Sn\n","nsites":4,"nelements":3,"elements":["Ba","Na","Sn"],"chemical_system":"Ba-Na-Sn","density":0.250879605170803,"density_atomic":0.002000992798444065,"volume":1999.0076941357943,"volume_molar":300.95764286021955,"formula_full":"Ba1 Na2 Sn1","formula_reduced":"BaNa2Sn","formula_anonymous":"ABC2","energy":-4.23691662,"energy_per_atom":-1.059229155,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-4.23691662,"band_gap":0.1966000000000001,"is_gap_direct":true,"is_magnetic":true,"total_magnetization":2.0003691,"is_theoretical":true,"updated_at":"2021-11-28T01:35:45.633000Z","spacegroup":71},{"id":"mp-1059160","created_at":"2022-09-04T14:41:33.689961Z","structure_string":"Br1 N1\n1.0\n3.047445 0.000000 0.000000\n0.000000 3.047445 0.000000\n0.000000 0.000000 3.047445\nBr N\n1 1\ndirect\n0.000000 0.000000 0.000000 Br\n0.500000 0.500000 0.500000 N\n","nsites":2,"nelements":2,"elements":["Br","N"],"chemical_system":"Br-N","density":5.510062771631311,"density_atomic":0.07066792946632623,"volume":28.30138105224965,"volume_molar":8.521745019952215,"formula_full":"Br1 N1","formula_reduced":"BrN","formula_anonymous":"AB","energy":-4.5996594,"energy_per_atom":-2.2998297,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-4.2386594,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":0.0009269,"is_theoretical":false,"updated_at":"2021-11-28T01:35:21.343000Z","spacegroup":221},{"id":"mp-1185090","created_at":"2022-09-04T14:46:52.040991Z","structure_string":"K3 Rb1\n1.0\n0.000000 5.415650 5.415650\n5.415650 0.000000 5.415650\n5.415650 5.415650 0.000000\nK Rb\n3 1\ndirect\n0.250000 0.250000 0.250000 K\n0.750000 0.750000 0.750000 K\n0.500000 0.500000 0.500000 K\n0.000000 0.000000 0.000000 Rb\n","nsites":4,"nelements":2,"elements":["K","Rb"],"chemical_system":"K-Rb","density":1.0598768341859524,"density_atomic":0.012591521982961797,"volume":317.6740671550743,"volume_molar":47.826948705238756,"formula_full":"K3 Rb1","formula_reduced":"K3Rb","formula_anonymous":"AB3","energy":-4.2461643,"energy_per_atom":-1.061541075,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-4.2461643,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":0.00207,"is_theoretical":true,"updated_at":"2021-11-28T01:37:43.512000Z","spacegroup":225},{"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}]}