{"count":146323,"next":"https://simmate.org/third-parties/MatprojStructure/?format=json&ordering=energy&page=10164","previous":"https://simmate.org/third-parties/MatprojStructure/?format=json&ordering=energy&page=10162","results":[{"id":"mp-1183216","created_at":"2022-09-04T14:45:15.875648Z","structure_string":"Al2 Cu6\n1.0\n2.603645 -4.509645 0.000000\n2.603645 4.509645 0.000000\n0.000000 0.000000 4.235207\nAl Cu\n2 6\ndirect\n0.333333 0.666667 0.750000 Al\n0.666667 0.333333 0.250000 Al\n0.165834 0.331668 0.250000 Cu\n0.668332 0.834166 0.250000 Cu\n0.165834 0.834166 0.250000 Cu\n0.834166 0.668332 0.750000 Cu\n0.331668 0.165834 0.750000 Cu\n0.834166 0.165834 0.750000 Cu\n","nsites":8,"nelements":2,"elements":["Al","Cu"],"chemical_system":"Al-Cu","density":7.266883810067712,"density_atomic":0.08043799281525753,"volume":99.45549012359935,"volume_molar":7.486687010988813,"formula_full":"Al2 Cu6","formula_reduced":"AlCu3","formula_anonymous":"AB3","energy":-33.54792418,"energy_per_atom":-4.1934905225,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-33.54792418,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":1.48e-05,"is_theoretical":true,"updated_at":"2021-11-28T01:36:56.211000Z","spacegroup":194},{"id":"mp-1112906","created_at":"2022-09-04T14:40:34.866553Z","structure_string":"Cs2 Hg1 Bi1 Cl6\n1.0\n0.000000 5.626595 5.626595\n5.626595 0.000000 5.626595\n5.626595 5.626595 0.000000\nCs Hg Bi Cl\n2 1 1 6\ndirect\n0.750000 0.750000 0.750000 Cs\n0.250000 0.250000 0.250000 Cs\n0.500000 0.500000 0.500000 Hg\n0.000000 0.000000 0.000000 Bi\n0.757705 0.242295 0.242295 Cl\n0.242295 0.242295 0.757705 Cl\n0.242295 0.757705 0.757705 Cl\n0.242295 0.757705 0.242295 Cl\n0.757705 0.242295 0.757705 Cl\n0.757705 0.757705 0.242295 Cl\n","nsites":10,"nelements":4,"elements":["Cs","Hg","Bi","Cl"],"chemical_system":"Bi-Cl-Cs-Hg","density":4.139459745211197,"density_atomic":0.02806939399453033,"volume":356.2599179002092,"volume_molar":21.45447372741103,"formula_full":"Cs2 Hg1 Bi1 Cl6","formula_reduced":"Cs2HgBiCl6","formula_anonymous":"ABC2D6","energy":-33.54768384,"energy_per_atom":-3.3547683839999998,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-29.86368384,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":0.0009705,"is_theoretical":true,"updated_at":"2021-11-28T01:35:05.532000Z","spacegroup":225},{"id":"mp-1026794","created_at":"2022-09-04T14:41:46.377178Z","structure_string":"Li1 Mg14 Mo1\n1.0\n6.319851 0.000000 -0.000000\n-3.159926 5.473151 0.000000\n-0.000000 0.000000 9.904820\nLi Mg Mo\n1 14 1\ndirect\n0.166667 0.333333 0.125000 Li\n0.168465 0.834232 0.125000 Mg\n0.168098 0.834049 0.625000 Mg\n0.665768 0.331535 0.125000 Mg\n0.665951 0.331902 0.625000 Mg\n0.665768 0.834232 0.125000 Mg\n0.665951 0.834049 0.625000 Mg\n0.327569 0.172431 0.380835 Mg\n0.327569 0.172431 0.869165 Mg\n0.327569 0.655139 0.380835 Mg\n0.327569 0.655139 0.869165 Mg\n0.844861 0.172431 0.380835 Mg\n0.844861 0.172431 0.869165 Mg\n0.833333 0.666667 0.374998 Mg\n0.833333 0.666667 0.875002 Mg\n0.166667 0.333333 0.625000 Mo\n","nsites":16,"nelements":3,"elements":["Li","Mg","Mo"],"chemical_system":"Li-Mg-Mo","density":2.1478798026367185,"density_atomic":0.04670131674850096,"volume":342.60275970727474,"volume_molar":12.895012773260406,"formula_full":"Li1 Mg14 Mo1","formula_reduced":"LiMg14Mo","formula_anonymous":"ABC14","energy":-33.54734887,"energy_per_atom":-2.096709304375,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-33.54734887,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":true,"total_magnetization":0.36222,"is_theoretical":true,"updated_at":"2021-11-28T01:35:24.797000Z","spacegroup":187},{"id":"mp-1220204","created_at":"2022-09-04T14:40:55.053942Z","structure_string":"Nd1 Cu1 Ni4\n1.0\n2.466242 -4.333456 0.000000\n2.466242 4.333456 0.000000\n0.000000 0.000000 4.007324\nNd Cu Ni\n1 1 4\ndirect\n0.500000 0.500000 0.000000 Nd\n0.000000 0.000000 0.500000 Cu\n0.175758 0.824242 0.000000 Ni\n0.824242 0.175758 0.000000 Ni\n0.000000 0.500000 0.500000 Ni\n0.500000 0.000000 0.500000 Ni\n","nsites":6,"nelements":3,"elements":["Nd","Cu","Ni"],"chemical_system":"Cu-Nd-Ni","density":8.579624725706358,"density_atomic":0.07004815752297804,"volume":85.65535785908156,"volume_molar":8.597143697926024,"formula_full":"Nd1 Cu1 Ni4","formula_reduced":"NdCuNi4","formula_anonymous":"ABC4","energy":-33.54711909,"energy_per_atom":-5.591186515,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-33.54711909,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":0.1401871,"is_theoretical":true,"updated_at":"2021-11-28T01:34:59.229000Z","spacegroup":65},{"id":"mp-1039395","created_at":"2022-09-04T14:41:06.116940Z","structure_string":"Mg6 Bi6\n1.0\n5.341601 0.000000 0.000000\n0.000000 3.454110 0.000000\n0.000000 0.000000 17.622863\nMg Bi\n6 6\ndirect\n-0.000000 -0.000000 0.996014 Mg\n-0.000000 -0.000000 0.339345 Mg\n0.500000 -0.000000 0.217728 Mg\n-0.000000 0.500000 0.496014 Mg\n0.000000 0.500000 0.839345 Mg\n0.500000 0.500000 0.717728 Mg\n0.000000 0.500000 0.185536 Bi\n0.500000 0.500000 0.373386 Bi\n0.500000 0.500000 0.054659 Bi\n0.000000 -0.000000 0.685536 Bi\n0.500000 -0.000000 0.873386 Bi\n0.500000 0.000000 0.554659 Bi\n","nsites":12,"nelements":2,"elements":["Mg","Bi"],"chemical_system":"Bi-Mg","density":7.148317499456615,"density_atomic":0.03690601657349794,"volume":325.15023603542056,"volume_molar":16.317504079604394,"formula_full":"Mg6 Bi6","formula_reduced":"MgBi","formula_anonymous":"AB","energy":-33.54548511,"energy_per_atom":-2.7954570925,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-33.54548511,"band_gap":0.5468000000000002,"is_gap_direct":true,"is_magnetic":false,"total_magnetization":2.76e-05,"is_theoretical":true,"updated_at":"2021-11-28T01:35:14.104000Z","spacegroup":38},{"id":"mp-1017441","created_at":"2022-09-04T14:42:10.820923Z","structure_string":"Sr1 Rh1 O3\n1.0\n4.004484 0.000000 0.000000\n0.000000 4.004484 0.000000\n0.000000 0.000000 4.004484\nSr Rh O\n1 1 3\ndirect\n0.500000 0.500000 0.500000 Sr\n0.000000 0.000000 0.000000 Rh\n0.500000 0.000000 0.000000 O\n0.000000 0.000000 0.500000 O\n0.000000 0.500000 0.000000 O\n","nsites":5,"nelements":3,"elements":["Sr","Rh","O"],"chemical_system":"O-Rh-Sr","density":6.167951451627042,"density_atomic":0.0778628535767738,"volume":64.21547336522843,"volume_molar":7.734292391508731,"formula_full":"Sr1 Rh1 O3","formula_reduced":"SrRhO3","formula_anonymous":"ABC3","energy":-33.54509686,"energy_per_atom":-6.709019372,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-31.48409686,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":true,"total_magnetization":1.4077495,"is_theoretical":true,"updated_at":"2021-11-28T01:35:35.942000Z","spacegroup":221},{"id":"mp-569103","created_at":"2022-09-04T14:39:40.019169Z","structure_string":"Mg18 Hg6\n1.0\n9.270087 -4.161962 0.000000\n9.270087 4.161962 0.000000\n7.401503 0.000000 6.962341\nMg Hg\n18 6\ndirect\n0.327211 0.081898 0.759616 Mg\n0.862940 0.862940 0.862940 Mg\n0.770682 0.037690 0.519458 Mg\n0.442881 0.442881 0.442881 Mg\n0.759616 0.327211 0.081898 Mg\n0.672789 0.240384 0.918102 Mg\n0.962310 0.229318 0.480542 Mg\n0.037690 0.519458 0.770682 Mg\n0.519458 0.770682 0.037690 Mg\n0.681165 0.681165 0.681165 Mg\n0.081898 0.759616 0.327211 Mg\n0.918102 0.672789 0.240384 Mg\n0.137060 0.137060 0.137060 Mg\n0.480542 0.962310 0.229318 Mg\n0.557119 0.557119 0.557119 Mg\n0.229318 0.480542 0.962310 Mg\n0.240384 0.918102 0.672789 Mg\n0.318835 0.318835 0.318835 Mg\n0.181664 0.818336 0.500000 Hg\n0.000000 0.326180 0.673820 Hg\n0.326180 0.673820 0.000000 Hg\n0.673820 0.000000 0.326180 Hg\n0.500000 0.181664 0.818336 Hg\n0.818336 0.500000 0.181664 Hg\n","nsites":24,"nelements":2,"elements":["Mg","Hg"],"chemical_system":"Hg-Mg","density":5.072223845551737,"density_atomic":0.04467288857563406,"volume":537.2385973959679,"volume_molar":13.480526896764534,"formula_full":"Mg18 Hg6","formula_reduced":"Mg3Hg","formula_anonymous":"AB3","energy":-33.5415964,"energy_per_atom":-1.3975665166666669,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-33.5415964,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":0.0007771,"is_theoretical":false,"updated_at":"2021-11-28T01:34:34.743000Z","spacegroup":155},{"id":"mp-1183431","created_at":"2022-09-04T14:39:39.026549Z","structure_string":"Be1 Os1 O3\n1.0\n3.437481 0.000000 0.000000\n0.000000 3.437481 0.000000\n0.000000 0.000000 3.437481\nBe Os O\n1 1 3\ndirect\n0.500000 0.500000 0.500000 Be\n0.000000 0.000000 0.000000 Os\n0.500000 0.500000 0.000000 O\n0.500000 0.000000 0.500000 O\n0.000000 0.500000 0.500000 O\n","nsites":5,"nelements":3,"elements":["Be","Os","O"],"chemical_system":"Be-O-Os","density":10.107589237169604,"density_atomic":0.12309745814810204,"volume":40.61822295294155,"volume_molar":4.8921731208735375,"formula_full":"Be1 Os1 O3","formula_reduced":"BeOsO3","formula_anonymous":"ABC3","energy":-33.5415693,"energy_per_atom":-6.70831386,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-31.4805693,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":0.017113,"is_theoretical":true,"updated_at":"2021-11-28T01:34:26.956000Z","spacegroup":221},{"id":"mp-1110763","created_at":"2022-09-04T14:39:36.127496Z","structure_string":"Rb2 Pr1 Cu1 I6\n1.0\n0.000000 6.009275 6.009275\n6.009275 0.000000 6.009275\n6.009275 6.009275 0.000000\nRb Pr Cu I\n2 1 1 6\ndirect\n0.750000 0.750000 0.750000 Rb\n0.250000 0.250000 0.250000 Rb\n0.500000 0.500000 0.500000 Pr\n0.000000 0.000000 0.000000 Cu\n0.760266 0.239734 0.239734 I\n0.239734 0.239734 0.760266 I\n0.239734 0.760266 0.760266 I\n0.239734 0.760266 0.239734 I\n0.760266 0.239734 0.760266 I\n0.760266 0.760266 0.239734 I\n","nsites":10,"nelements":4,"elements":["Rb","Pr","Cu","I"],"chemical_system":"Cu-I-Pr-Rb","density":4.34953739683276,"density_atomic":0.023041129646999784,"volume":434.00649851827524,"volume_molar":26.136482248317847,"formula_full":"Rb2 Pr1 Cu1 I6","formula_reduced":"Rb2PrCuI6","formula_anonymous":"ABC2D6","energy":-33.54121152,"energy_per_atom":-3.354121152,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-31.26721152,"band_gap":1.7961,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":0.00201,"is_theoretical":true,"updated_at":"2021-11-28T01:34:24.550000Z","spacegroup":225},{"id":"mp-1208368","created_at":"2022-09-04T14:42:14.758319Z","structure_string":"Tb2 Ga2 Fe2\n1.0\n2.100856 -3.638790 0.000000\n2.100856 3.638790 0.000000\n0.000000 0.000000 7.412378\nTb Ga Fe\n2 2 2\ndirect\n0.000000 0.000000 0.000000 Tb\n0.000000 0.000000 0.500000 Tb\n0.333333 0.666667 0.250000 Ga\n0.666667 0.333333 0.750000 Ga\n0.333333 0.666667 0.750000 Fe\n0.666667 0.333333 0.250000 Fe\n","nsites":6,"nelements":3,"elements":["Tb","Ga","Fe"],"chemical_system":"Fe-Ga-Tb","density":8.337011113742767,"density_atomic":0.05294322815840194,"volume":113.32894137184978,"volume_molar":11.374713952051115,"formula_full":"Tb2 Ga2 Fe2","formula_reduced":"TbGaFe","formula_anonymous":"ABC","energy":-33.5409458,"energy_per_atom":-5.590157633333334,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-33.5409458,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":true,"total_magnetization":3.3051583,"is_theoretical":true,"updated_at":"2021-11-28T01:35:38.740000Z","spacegroup":194},{"id":"mp-989511","created_at":"2022-09-04T14:45:05.238774Z","structure_string":"Cs2 As1 Br1 Cl6\n1.0\n0.000000 5.515873 5.515873\n5.515873 0.000000 5.515873\n5.515873 5.515873 0.000000\nCs As Br Cl\n2 1 1 6\ndirect\n0.250000 0.250000 0.250000 Cs\n0.750000 0.750000 0.750000 Cs\n0.000000 0.000000 0.000000 As\n0.500000 0.500000 0.500000 Br\n0.214181 0.785819 0.785819 Cl\n0.214181 0.785819 0.214181 Cl\n0.785819 0.214181 0.785819 Cl\n0.785819 0.785819 0.214181 Cl\n0.214181 0.214181 0.785819 Cl\n0.785819 0.214181 0.214181 Cl\n","nsites":10,"nelements":4,"elements":["Cs","As","Br","Cl"],"chemical_system":"As-Br-Cl-Cs","density":3.1334530388971173,"density_atomic":0.029793891348987824,"volume":335.63927191872926,"volume_molar":20.212669400785032,"formula_full":"Cs2 As1 Br1 Cl6","formula_reduced":"Cs2AsBrCl6","formula_anonymous":"ABC2D6","energy":-33.54014427,"energy_per_atom":-3.354014427,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-29.85614427,"band_gap":0.0675,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":0.0011454,"is_theoretical":true,"updated_at":"2021-11-28T01:36:52.242000Z","spacegroup":225},{"id":"mp-1078053","created_at":"2022-09-04T14:46:19.619899Z","structure_string":"Ga2 Fe1 Se4\n1.0\n5.516532 0.000000 0.000000\n0.000000 5.516532 0.000000\n0.000000 0.000000 5.744866\nGa Fe Se\n2 1 4\ndirect\n0.000000 0.500000 0.500000 Ga\n0.500000 0.000000 0.500000 Ga\n0.000000 0.000000 0.000000 Fe\n0.741215 0.741215 0.237433 Se\n0.258785 0.258785 0.237433 Se\n0.258785 0.741215 0.762567 Se\n0.741215 0.258785 0.762567 Se\n","nsites":7,"nelements":3,"elements":["Ga","Fe","Se"],"chemical_system":"Fe-Ga-Se","density":4.854775286144171,"density_atomic":0.0400392425796968,"volume":174.82848198406174,"volume_molar":15.040596105216343,"formula_full":"Ga2 Fe1 Se4","formula_reduced":"Ga2FeSe4","formula_anonymous":"AB2C4","energy":-33.53602835,"energy_per_atom":-4.790861192857143,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-31.648028350000004,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":true,"total_magnetization":3.9998972,"is_theoretical":false,"updated_at":"2021-11-28T01:37:18.229000Z","spacegroup":111}]}