{"count":146323,"next":"https://simmate.org/third-parties/MatprojStructure/?format=json&ordering=-energy&page=60","previous":"https://simmate.org/third-parties/MatprojStructure/?format=json&ordering=-energy&page=58","results":[{"id":"mp-1093817","created_at":"2022-09-04T14:48:17.612484Z","structure_string":"Cs2 Hg1 Au1\n1.0\n-6.697491 7.474480 9.449568\n6.697491 -7.474480 9.449568\n6.697491 7.474480 -9.449568\nCs Hg Au\n2 1 1\ndirect\n0.775881 0.000000 0.775881 Cs\n0.224119 0.000000 0.224119 Cs\n0.500000 0.000000 0.500000 Hg\n0.000000 0.000000 0.000000 Au\n","nsites":4,"nelements":3,"elements":["Cs","Hg","Au"],"chemical_system":"Au-Cs-Hg","density":0.5821544230414218,"density_atomic":0.002113951029902571,"volume":1892.191419488253,"volume_molar":284.87607682556165,"formula_full":"Cs2 Hg1 Au1","formula_reduced":"Cs2HgAu","formula_anonymous":"ABC2","energy":-4.51303876,"energy_per_atom":-1.12825969,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-4.51303876,"band_gap":0.0933999999999999,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":0.9996303,"is_theoretical":true,"updated_at":"2021-11-28T01:38:53.676000Z","spacegroup":71},{"id":"mp-1093889","created_at":"2022-09-04T14:45:30.779851Z","structure_string":"Li2 Zn1 Ag1\n1.0\n-5.335764 5.479025 7.741923\n5.335764 -5.479025 7.741923\n5.335764 5.479025 -7.741923\nLi Zn Ag\n2 1 1\ndirect\n0.000000 0.257928 0.257928 Li\n0.000000 0.742072 0.742072 Li\n0.000000 0.000000 0.000000 Zn\n0.000000 0.500000 0.500000 Ag\n","nsites":4,"nelements":3,"elements":["Li","Zn","Ag"],"chemical_system":"Ag-Li-Zn","density":0.34328240495637835,"density_atomic":0.004418259885259276,"volume":905.333797440317,"volume_molar":136.3011890742729,"formula_full":"Li2 Zn1 Ag1","formula_reduced":"Li2ZnAg","formula_anonymous":"ABC2","energy":-4.51333639,"energy_per_atom":-1.1283340975,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-4.51333639,"band_gap":0.5495000000000001,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":0.9999716,"is_theoretical":true,"updated_at":"2021-11-28T01:36:57.399000Z","spacegroup":71},{"id":"mp-1096026","created_at":"2022-09-04T14:46:52.316055Z","structure_string":"Ca2 Zn1 Sn1\n1.0\n-6.201203 6.348346 8.962368\n6.201203 -6.348346 8.962368\n6.201203 6.348346 -8.962368\nCa Zn Sn\n2 1 1\ndirect\n0.000000 0.258552 0.258552 Ca\n0.000000 0.741448 0.741448 Ca\n0.000000 0.000000 0.000000 Zn\n0.000000 0.500000 0.500000 Sn\n","nsites":4,"nelements":3,"elements":["Ca","Zn","Sn"],"chemical_system":"Ca-Sn-Zn","density":0.3109466469599636,"density_atomic":0.0028342665443042976,"volume":1411.299868051699,"volume_molar":212.47616149941894,"formula_full":"Ca2 Zn1 Sn1","formula_reduced":"Ca2ZnSn","formula_anonymous":"ABC2","energy":-4.51416422,"energy_per_atom":-1.128541055,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-4.51416422,"band_gap":0.0038999999999997,"is_gap_direct":false,"is_magnetic":true,"total_magnetization":2.0013837,"is_theoretical":true,"updated_at":"2021-11-28T01:37:44.184000Z","spacegroup":71},{"id":"mp-22915","created_at":"2022-09-04T14:47:15.647384Z","structure_string":"Ag1 I1\n1.0\n3.855000 0.000000 0.000000\n0.000000 3.855000 0.000000\n0.000000 0.000000 3.855000\nAg I\n1 1\ndirect\n0.000000 0.000000 0.000000 Ag\n0.500000 0.500000 0.500000 I\n","nsites":2,"nelements":2,"elements":["Ag","I"],"chemical_system":"Ag-I","density":6.804927293483764,"density_atomic":0.03491056266224425,"volume":57.289251375,"volume_molar":17.250196790763674,"formula_full":"Ag1 I1","formula_reduced":"AgI","formula_anonymous":"AB","energy":-4.51699498,"energy_per_atom":-2.25849749,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-4.13799498,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":7.11e-05,"is_theoretical":false,"updated_at":"2021-11-28T01:38:03.047000Z","spacegroup":221},{"id":"mp-1206995","created_at":"2022-09-04T14:48:01.778084Z","structure_string":"K2 Ag1\n1.0\n2.996478 -5.190051 0.000000\n2.996478 5.190051 0.000000\n0.000000 0.000000 3.915900\nK Ag\n2 1\ndirect\n0.333333 0.666667 0.500000 K\n0.666667 0.333333 0.500000 K\n0.000000 0.000000 0.000000 Ag\n","nsites":3,"nelements":2,"elements":["K","Ag"],"chemical_system":"Ag-K","density":2.536699425771011,"density_atomic":0.024630710934712075,"volume":121.79916397671244,"volume_molar":24.449723663936126,"formula_full":"K2 Ag1","formula_reduced":"K2Ag","formula_anonymous":"AB2","energy":-4.519296,"energy_per_atom":-1.506432,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-4.519296,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":0.0006004,"is_theoretical":true,"updated_at":"2021-11-28T01:38:19.124000Z","spacegroup":191},{"id":"mp-1094851","created_at":"2022-09-04T14:40:37.786381Z","structure_string":"Mg1 Cd3\n1.0\n3.176500 0.000000 0.000000\n0.000000 5.220361 0.000000\n0.000000 0.000000 5.354475\nMg Cd\n1 3\ndirect\n0.000000 0.500000 0.335817 Mg\n0.000000 0.000000 0.002327 Cd\n0.500000 0.000000 0.497970 Cd\n0.500000 0.500000 0.830552 Cd\n","nsites":4,"nelements":2,"elements":["Mg","Cd"],"chemical_system":"Cd-Mg","density":6.761401993328155,"density_atomic":0.045049886377462996,"volume":88.79045701658131,"volume_molar":13.367715757464559,"formula_full":"Mg1 Cd3","formula_reduced":"MgCd3","formula_anonymous":"AB3","energy":-4.52028347,"energy_per_atom":-1.1300708675,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-4.52028347,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":0.0009461,"is_theoretical":true,"updated_at":"2021-11-28T01:35:02.485000Z","spacegroup":25},{"id":"mp-1093785","created_at":"2022-09-04T14:48:28.700892Z","structure_string":"Ba2 Tl1 In1\n1.0\n-6.386570 7.218102 10.204812\n6.386570 -7.218102 10.204812\n6.386570 7.218102 -10.204812\nBa Tl In\n2 1 1\ndirect\n0.000000 0.249844 0.249844 Ba\n0.000000 0.750156 0.750156 Ba\n0.000000 0.500000 0.500000 Tl\n0.000000 0.000000 0.000000 In\n","nsites":4,"nelements":3,"elements":["Ba","Tl","In"],"chemical_system":"Ba-In-Tl","density":0.5240515902515852,"density_atomic":0.0021257113933899428,"volume":1881.7229904484198,"volume_molar":283.300017995213,"formula_full":"Ba2 Tl1 In1","formula_reduced":"Ba2TlIn","formula_anonymous":"ABC2","energy":-4.52128618,"energy_per_atom":-1.130321545,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-4.52128618,"band_gap":0.6467000000000003,"is_gap_direct":true,"is_magnetic":true,"total_magnetization":1.58e-05,"is_theoretical":true,"updated_at":"2021-11-28T01:39:40.234000Z","spacegroup":71},{"id":"mp-1095859","created_at":"2022-09-04T14:41:51.930607Z","structure_string":"Ba2 Al1 Tl1\n1.0\n-6.341976 7.233343 10.235678\n6.341976 -7.233343 10.235678\n6.341976 7.233343 -10.235678\nBa Al Tl\n2 1 1\ndirect\n0.000000 0.246483 0.246483 Ba\n0.000000 0.753517 0.753517 Ba\n0.000000 0.000000 0.000000 Al\n0.000000 0.500000 0.500000 Tl\n","nsites":4,"nelements":3,"elements":["Ba","Al","Tl"],"chemical_system":"Al-Ba-Tl","density":0.44737892621343994,"density_atomic":0.0021297063762290057,"volume":1878.1931841152,"volume_molar":282.76859323035825,"formula_full":"Ba2 Al1 Tl1","formula_reduced":"Ba2AlTl","formula_anonymous":"ABC2","energy":-4.52139518,"energy_per_atom":-1.130348795,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-4.52139518,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":true,"total_magnetization":4.8591351,"is_theoretical":true,"updated_at":"2021-11-28T01:35:26.120000Z","spacegroup":71},{"id":"mp-1096325","created_at":"2022-09-04T14:47:07.641958Z","structure_string":"Y1 Tl1 Hg2\n1.0\n-6.185151 6.286854 8.887899\n6.185151 -6.286854 8.887899\n6.185151 6.286854 -8.887899\nY Tl Hg\n1 1 2\ndirect\n0.000000 0.000000 0.000000 Y\n0.000000 0.500000 0.500000 Tl\n0.000000 0.250028 0.250028 Hg\n0.000000 0.749972 0.749972 Hg\n","nsites":4,"nelements":3,"elements":["Y","Tl","Hg"],"chemical_system":"Hg-Tl-Y","density":0.8341790374285307,"density_atomic":0.0028934581668153,"volume":1382.4288340766375,"volume_molar":208.1295257373049,"formula_full":"Y1 Tl1 Hg2","formula_reduced":"YTlHg2","formula_anonymous":"ABC2","energy":-4.52189705,"energy_per_atom":-1.1304742625,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-4.52189705,"band_gap":0.0817000000000001,"is_gap_direct":false,"is_magnetic":true,"total_magnetization":1.9948831,"is_theoretical":true,"updated_at":"2021-11-28T01:37:58.703000Z","spacegroup":71},{"id":"mp-1096192","created_at":"2022-09-04T14:46:08.528655Z","structure_string":"Li1 Mg1 In2\n1.0\n-5.750608 5.890271 8.360420\n5.750608 -5.890271 8.360420\n5.750608 5.890271 -8.360420\nLi Mg In\n1 1 2\ndirect\n0.000000 0.000000 0.000000 Li\n0.000000 0.500000 0.500000 Mg\n0.000000 0.245239 0.245239 In\n0.000000 0.754761 0.754761 In\n","nsites":4,"nelements":3,"elements":["Li","Mg","In"],"chemical_system":"In-Li-Mg","density":0.38243363847477796,"density_atomic":0.003531204457264137,"volume":1132.7579720770602,"volume_molar":170.54069887150516,"formula_full":"Li1 Mg1 In2","formula_reduced":"LiMgIn2","formula_anonymous":"ABC2","energy":-4.52215378,"energy_per_atom":-1.130538445,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-4.52215378,"band_gap":0.0908999999999999,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":0.9995113,"is_theoretical":true,"updated_at":"2021-11-28T01:37:25.420000Z","spacegroup":71},{"id":"mp-1096346","created_at":"2022-09-04T14:42:38.171954Z","structure_string":"Li2 Mg1 Ag1\n1.0\n-5.583944 5.604012 7.886966\n5.583944 -5.604012 7.886966\n5.583944 5.604012 -7.886966\nLi Mg Ag\n2 1 1\ndirect\n0.271065 0.000000 0.271065 Li\n0.728935 0.000000 0.728935 Li\n0.000000 0.000000 0.000000 Mg\n0.500000 0.000000 0.500000 Ag\n","nsites":4,"nelements":3,"elements":["Li","Mg","Ag"],"chemical_system":"Ag-Li-Mg","density":0.24567222009374184,"density_atomic":0.004051817917438032,"volume":987.2111929771029,"volume_molar":148.62811909889092,"formula_full":"Li2 Mg1 Ag1","formula_reduced":"Li2MgAg","formula_anonymous":"ABC2","energy":-4.52332055,"energy_per_atom":-1.1308301375,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-4.52332055,"band_gap":0.4773,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":0.999899,"is_theoretical":true,"updated_at":"2021-11-28T01:35:51.495000Z","spacegroup":71},{"id":"mp-1184574","created_at":"2022-09-04T14:45:30.358679Z","structure_string":"Hg3 P1\n1.0\n0.000000 3.586310 3.586310\n3.586310 0.000000 3.586310\n3.586310 3.586310 0.000000\nHg P\n3 1\ndirect\n0.250000 0.250000 0.250000 Hg\n0.750000 0.750000 0.750000 Hg\n0.500000 0.500000 0.500000 Hg\n0.000000 0.000000 0.000000 P\n","nsites":4,"nelements":2,"elements":["Hg","P"],"chemical_system":"Hg-P","density":11.389469410879027,"density_atomic":0.04335972449949221,"volume":92.25150865630718,"volume_molar":13.888789261266007,"formula_full":"Hg3 P1","formula_reduced":"Hg3P","formula_anonymous":"AB3","energy":-4.52703439,"energy_per_atom":-1.1317585975,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-4.52703439,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":0.0025382,"is_theoretical":true,"updated_at":"2021-11-28T01:37:02.562000Z","spacegroup":225}]}