{"count":146323,"next":"https://simmate.org/third-parties/MatprojStructure/?format=json&ordering=-energy_uncorrected&page=72","previous":"https://simmate.org/third-parties/MatprojStructure/?format=json&ordering=-energy_uncorrected&page=70","results":[{"id":"mp-1226724","created_at":"2022-09-04T14:43:17.160099Z","structure_string":"Cd1 Sb1\n1.0\n3.108627 0.000000 0.000000\n0.000000 3.239193 0.000000\n0.000000 0.000000 5.474133\nCd Sb\n1 1\ndirect\n0.000000 0.000000 0.000000 Cd\n0.000000 0.500000 0.500000 Sb\n","nsites":2,"nelements":2,"elements":["Cd","Sb"],"chemical_system":"Cd-Sb","density":7.054421793456101,"density_atomic":0.036283503111218224,"volume":55.12146922168701,"volume_molar":16.597462327550343,"formula_full":"Cd1 Sb1","formula_reduced":"CdSb","formula_anonymous":"AB","energy":-5.01803253,"energy_per_atom":-2.509016265,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-4.82603253,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":0.0124263,"is_theoretical":true,"updated_at":"2021-11-28T01:36:06.003000Z","spacegroup":47},{"id":"mp-1172894","created_at":"2022-09-04T14:46:27.249595Z","structure_string":"Ca2 Ga4\n1.0\n17.361917 0.000000 0.000000\n-8.680958 15.035861 -0.000000\n0.000000 -0.000000 29.921568\nCa Ga\n2 4\ndirect\n-0.000000 0.000000 0.250000 Ca\n-0.000000 0.000000 0.750000 Ca\n0.666667 0.333333 0.704356 Ga\n0.333333 0.666667 0.204356 Ga\n0.666667 0.333333 0.795644 Ga\n0.333333 0.666667 0.295644 Ga\n","nsites":6,"nelements":2,"elements":["Ca","Ga"],"chemical_system":"Ca-Ga","density":0.07632930061378769,"density_atomic":0.0007681409603742695,"volume":7811.066340058934,"volume_molar":783.9890164255487,"formula_full":"Ca2 Ga4","formula_reduced":"CaGa2","formula_anonymous":"AB2","energy":-4.82832814,"energy_per_atom":-0.8047213566666667,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-4.82832814,"band_gap":0.1720999999999999,"is_gap_direct":true,"is_magnetic":true,"total_magnetization":4.0008309,"is_theoretical":true,"updated_at":"2021-11-28T01:37:36.169000Z","spacegroup":194},{"id":"mp-973601","created_at":"2022-09-04T14:48:00.571361Z","structure_string":"Hg1 I3\n1.0\n-2.257526 2.257526 8.465275\n2.257526 -2.257526 8.465275\n2.257526 2.257526 -8.465275\nHg I\n1 3\ndirect\n0.000000 0.000000 0.000000 Hg\n0.750000 0.250000 0.500000 I\n0.250000 0.750000 0.500000 I\n0.500000 0.500000 0.000000 I\n","nsites":4,"nelements":2,"elements":["Hg","I"],"chemical_system":"Hg-I","density":5.593522432287204,"density_atomic":0.023178931252505072,"volume":172.5705105392941,"volume_molar":25.981097637317315,"formula_full":"Hg1 I3","formula_reduced":"HgI3","formula_anonymous":"AB3","energy":-5.9667719,"energy_per_atom":-1.491692975,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-4.8297719,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":0.0017032,"is_theoretical":true,"updated_at":"2021-11-28T01:38:29.089000Z","spacegroup":139},{"id":"mp-1095830","created_at":"2022-09-04T14:43:11.524180Z","structure_string":"Sr2 Li1 Sn1\n1.0\n-6.598649 6.860735 9.294015\n6.598649 -6.860735 9.294015\n6.598649 6.860735 -9.294015\nSr Li Sn\n2 1 1\ndirect\n0.738187 0.000000 0.738187 Sr\n0.261813 0.000000 0.261813 Sr\n0.000000 0.000000 0.000000 Li\n0.500000 0.000000 0.500000 Sn\n","nsites":4,"nelements":3,"elements":["Sr","Li","Sn"],"chemical_system":"Li-Sn-Sr","density":0.296872016418202,"density_atomic":0.002376681351310967,"volume":1683.0190541923585,"volume_molar":253.3844411527113,"formula_full":"Sr2 Li1 Sn1","formula_reduced":"Sr2LiSn","formula_anonymous":"ABC2","energy":-4.83011825,"energy_per_atom":-1.2075295625,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-4.83011825,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":true,"total_magnetization":2.1205722,"is_theoretical":true,"updated_at":"2021-11-28T01:36:03.068000Z","spacegroup":71},{"id":"mp-1093897","created_at":"2022-09-04T14:46:24.156179Z","structure_string":"Li2 La1 Al1\n1.0\n-10.335142 0.000000 -5.966996\n-10.496666 -0.027233 6.246765\n-6.931098 10.057715 0.071021\nLi La Al\n2 1 1\ndirect\n0.766174 1.000000 0.000000 Li\n0.233826 0.000000 1.000000 Li\n0.500000 0.000000 -0.000000 La\n0.000000 0.000000 -0.000000 Al\n","nsites":4,"nelements":3,"elements":["Li","La","Al"],"chemical_system":"Al-La-Li","density":0.23313441148492428,"density_atomic":0.003123938332599017,"volume":1280.4350067538394,"volume_molar":192.77399611757932,"formula_full":"Li2 La1 Al1","formula_reduced":"Li2LaAl","formula_anonymous":"ABC2","energy":-4.835912,"energy_per_atom":-1.208978,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-4.835912,"band_gap":0.1551,"is_gap_direct":false,"is_magnetic":true,"total_magnetization":2.087997,"is_theoretical":true,"updated_at":"2021-11-28T01:37:35.085000Z","spacegroup":71},{"id":"mp-1016226","created_at":"2022-09-04T14:46:01.502593Z","structure_string":"Rb1 Mg3\n1.0\n3.332475 0.000000 0.000000\n0.000000 5.219822 0.000000\n0.000000 0.000000 7.971050\nRb Mg\n1 3\ndirect\n0.000000 0.000000 0.133379 Rb\n0.500000 0.000000 0.653062 Mg\n0.500000 0.500000 0.439873 Mg\n0.000000 0.500000 0.773686 Mg\n","nsites":4,"nelements":2,"elements":["Rb","Mg"],"chemical_system":"Mg-Rb","density":1.8967888457040059,"density_atomic":0.02884840885443343,"volume":138.65582743865193,"volume_molar":20.875122750745806,"formula_full":"Rb1 Mg3","formula_reduced":"RbMg3","formula_anonymous":"AB3","energy":-4.8370396,"energy_per_atom":-1.2092599,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-4.8370396,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":0.002783,"is_theoretical":true,"updated_at":"2021-11-28T01:37:21.025000Z","spacegroup":25},{"id":"mp-1096139","created_at":"2022-09-04T14:40:24.465083Z","structure_string":"Li1 Cd2 Ni1\n1.0\n-5.375194 5.915680 8.243327\n5.375194 -5.915680 8.243327\n5.375194 5.915680 -8.243327\nLi Cd Ni\n1 2 1\ndirect\n0.000000 0.000000 0.000000 Li\n0.000000 0.257434 0.257434 Cd\n0.000000 0.742566 0.742566 Cd\n0.000000 0.500000 0.500000 Ni\n","nsites":4,"nelements":3,"elements":["Li","Cd","Ni"],"chemical_system":"Cd-Li-Ni","density":0.46001152414694996,"density_atomic":0.003815036130162615,"volume":1048.482861898742,"volume_molar":157.85278447004663,"formula_full":"Li1 Cd2 Ni1","formula_reduced":"LiCd2Ni","formula_anonymous":"ABC2","energy":-4.84589965,"energy_per_atom":-1.2114749125,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-4.84589965,"band_gap":0.1080999999999998,"is_gap_direct":false,"is_magnetic":true,"total_magnetization":0.9999998,"is_theoretical":true,"updated_at":"2021-11-28T01:34:53.879000Z","spacegroup":71},{"id":"mp-1096182","created_at":"2022-09-04T14:44:19.181488Z","structure_string":"Ca2 Cd1 Au1\n1.0\n-6.292015 6.416382 9.090497\n6.292015 -6.416382 9.090497\n6.292015 6.416382 -9.090497\nCa Cd Au\n2 1 1\ndirect\n0.000000 0.269421 0.269421 Ca\n0.000000 0.730579 0.730579 Ca\n0.000000 0.000000 0.000000 Cd\n0.000000 0.500000 0.500000 Au\n","nsites":4,"nelements":3,"elements":["Ca","Cd","Au"],"chemical_system":"Au-Ca-Cd","density":0.44062223311839893,"density_atomic":0.002724786074333451,"volume":1468.0051537545005,"volume_molar":221.0133418078761,"formula_full":"Ca2 Cd1 Au1","formula_reduced":"Ca2CdAu","formula_anonymous":"ABC2","energy":-4.84864762,"energy_per_atom":-1.212161905,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-4.84864762,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":0.0033334,"is_theoretical":true,"updated_at":"2021-11-28T01:36:35.994000Z","spacegroup":71},{"id":"mp-1248765","created_at":"2022-09-04T14:45:29.851996Z","structure_string":"Li2 La1 Al1\n1.0\n-10.418208 0.035657 -5.956726\n-10.191313 0.001509 5.555991\n-6.889595 9.340175 -0.162750\nLi La Al\n2 1 1\ndirect\n0.769092 0.003596 0.003596 Li\n0.230908 0.996404 0.996404 Li\n0.500000 -0.000000 -0.000000 La\n0.000000 -0.000000 -0.000000 Al\n","nsites":4,"nelements":3,"elements":["Li","La","Al"],"chemical_system":"Al-La-Li","density":0.26986194466553454,"density_atomic":0.0036160773867777696,"volume":1106.1710168665218,"volume_molar":166.5379392050632,"formula_full":"Li2 La1 Al1","formula_reduced":"Li2LaAl","formula_anonymous":"ABC2","energy":-4.86073925,"energy_per_atom":-1.2151848125,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-4.86073925,"band_gap":0.125,"is_gap_direct":false,"is_magnetic":true,"total_magnetization":2.0,"is_theoretical":true,"updated_at":"2021-11-28T01:36:58.034000Z","spacegroup":12},{"id":"mp-1095772","created_at":"2022-09-04T14:47:23.746633Z","structure_string":"Li2 Tl1 In1\n1.0\n-5.813652 5.937374 8.314122\n5.813652 -5.937374 8.314122\n5.813652 5.937374 -8.314122\nLi Tl In\n2 1 1\ndirect\n0.000000 0.249556 0.249556 Li\n0.000000 0.750444 0.750444 Li\n0.000000 0.500000 0.500000 Tl\n0.000000 0.000000 0.000000 In\n","nsites":4,"nelements":3,"elements":["Li","Tl","In"],"chemical_system":"In-Li-Tl","density":0.4818170162353395,"density_atomic":0.003484497593647163,"volume":1147.9416737990252,"volume_molar":172.82665859719336,"formula_full":"Li2 Tl1 In1","formula_reduced":"Li2TlIn","formula_anonymous":"ABC2","energy":-4.86685479,"energy_per_atom":-1.2167136975,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-4.86685479,"band_gap":0.0665,"is_gap_direct":true,"is_magnetic":false,"total_magnetization":3e-07,"is_theoretical":true,"updated_at":"2021-11-28T01:38:09.679000Z","spacegroup":71},{"id":"mp-1095976","created_at":"2022-09-04T14:46:29.467534Z","structure_string":"Mg2 Ga1 Cu1\n1.0\n-5.246919 5.264858 7.174421\n5.246919 -5.264858 7.174421\n5.246919 5.264858 -7.174421\nMg Ga Cu\n2 1 1\ndirect\n0.000000 0.239444 0.239444 Mg\n0.000000 0.760556 0.760556 Mg\n0.000000 0.500000 0.500000 Ga\n0.000000 0.000000 0.000000 Cu\n","nsites":4,"nelements":3,"elements":["Mg","Ga","Cu"],"chemical_system":"Cu-Ga-Mg","density":0.380972637080476,"density_atomic":0.005045708074048951,"volume":792.752957820285,"volume_molar":119.35174749750247,"formula_full":"Mg2 Ga1 Cu1","formula_reduced":"Mg2GaCu","formula_anonymous":"ABC2","energy":-4.87150231,"energy_per_atom":-1.2178755775,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-4.87150231,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":0.7452612,"is_theoretical":true,"updated_at":"2021-11-28T01:37:41.829000Z","spacegroup":71},{"id":"mp-11576","created_at":"2022-09-04T14:47:22.818938Z","structure_string":"Yb1 Tl1\n1.0\n3.859875 0.000000 0.000000\n0.000000 3.859875 0.000000\n0.000000 0.000000 3.859875\nYb Tl\n1 1\ndirect\n0.500000 0.500000 0.500000 Yb\n0.000000 0.000000 0.000000 Tl\n","nsites":2,"nelements":2,"elements":["Yb","Tl"],"chemical_system":"Tl-Yb","density":10.898283057935288,"density_atomic":0.03477845413353664,"volume":57.50686883093555,"volume_molar":17.31572293833753,"formula_full":"Yb1 Tl1","formula_reduced":"YbTl","formula_anonymous":"AB","energy":-4.8749214,"energy_per_atom":-2.4374607,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-4.8749214,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":0.0013793,"is_theoretical":false,"updated_at":"2021-11-28T01:38:07.426000Z","spacegroup":221}]}