{"count":146323,"next":"https://simmate.org/third-parties/MatprojStructure/?format=json&ordering=energy_uncorrected&page=12120","previous":"https://simmate.org/third-parties/MatprojStructure/?format=json&ordering=energy_uncorrected&page=12118","results":[{"id":"mp-1186872","created_at":"2022-09-04T14:44:18.371135Z","structure_string":"Rb3 Tb1\n1.0\n0.000000 5.134150 5.134150\n5.134150 0.000000 5.134150\n5.134150 5.134150 0.000000\nRb Tb\n3 1\ndirect\n0.250000 0.250000 0.250000 Rb\n0.750000 0.750000 0.750000 Rb\n0.500000 0.500000 0.500000 Rb\n0.000000 0.000000 0.000000 Tb\n","nsites":4,"nelements":2,"elements":["Rb","Tb"],"chemical_system":"Rb-Tb","density":2.548035286432636,"density_atomic":0.01477829518100736,"volume":270.66721506149673,"volume_molar":40.749901705438134,"formula_full":"Rb3 Tb1","formula_reduced":"Rb3Tb","formula_anonymous":"AB3","energy":-5.00707792,"energy_per_atom":-1.25176948,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-5.00707792,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":true,"total_magnetization":0.3546405,"is_theoretical":true,"updated_at":"2021-11-28T01:36:37.832000Z","spacegroup":225},{"id":"mp-1097574","created_at":"2022-09-04T14:44:28.202268Z","structure_string":"Ba2 Hg1 Ge1\n1.0\n-6.462767 6.606354 9.292899\n6.462767 -6.606354 9.292899\n6.462767 6.606354 -9.292899\nBa Hg Ge\n2 1 1\ndirect\n0.000000 0.220861 0.220861 Ba\n0.000000 0.779139 0.779139 Ba\n0.000000 0.500000 0.500000 Hg\n0.000000 0.000000 0.000000 Ge\n","nsites":4,"nelements":3,"elements":["Ba","Hg","Ge"],"chemical_system":"Ba-Ge-Hg","density":0.5732527761637736,"density_atomic":0.0025203940325412145,"volume":1587.053432263112,"volume_molar":238.93647906823963,"formula_full":"Ba2 Hg1 Ge1","formula_reduced":"Ba2HgGe","formula_anonymous":"ABC2","energy":-5.00219078,"energy_per_atom":-1.250547695,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-5.00219078,"band_gap":0.1664000000000001,"is_gap_direct":false,"is_magnetic":true,"total_magnetization":8e-07,"is_theoretical":true,"updated_at":"2021-11-28T01:36:38.902000Z","spacegroup":71},{"id":"mp-1185036","created_at":"2022-09-04T14:43:58.977954Z","structure_string":"K1 Nd1\n1.0\n3.723056 -0.000276 -0.000005\n-1.861766 3.224007 0.000009\n-0.000009 0.000015 7.246040\nK Nd\n1 1\ndirect\n0.666668 0.333331 0.749998 K\n0.333329 0.666666 0.250000 Nd\n","nsites":2,"nelements":2,"elements":["K","Nd"],"chemical_system":"K-Nd","density":3.500494144466626,"density_atomic":0.02299600085176991,"volume":86.97164402157638,"volume_molar":26.187774121327276,"formula_full":"K1 Nd1","formula_reduced":"KNd","formula_anonymous":"AB","energy":-5.00090124,"energy_per_atom":-2.50045062,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-5.00090124,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":0.050824,"is_theoretical":true,"updated_at":"2021-11-28T01:36:09.249000Z","spacegroup":187},{"id":"mp-1180991","created_at":"2022-09-04T14:39:41.834755Z","structure_string":"K5\n1.0\n6.064214 0.000000 0.000000\n0.000000 6.064214 0.000000\n0.000000 0.000000 11.413700\nK\n5\ndirect\n0.000000 0.000000 0.000000 K\n0.500000 0.000000 0.695328 K\n0.000000 0.500000 0.695328 K\n0.000000 0.500000 0.304672 K\n0.500000 0.000000 0.304672 K\n","nsites":5,"nelements":1,"elements":["K"],"chemical_system":"K","density":0.7733952238279851,"density_atomic":0.011912269593852835,"volume":419.7352956635722,"volume_molar":50.55410064852499,"formula_full":"K5","formula_reduced":"K","formula_anonymous":"A","energy":-4.98716699,"energy_per_atom":-0.9974333980000001,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-4.98716699,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":0.0352015,"is_theoretical":true,"updated_at":"2021-11-28T01:34:29.186000Z","spacegroup":123},{"id":"mp-1096181","created_at":"2022-09-04T14:41:10.401644Z","structure_string":"Ca2 Ga1 Ag1\n1.0\n-5.948416 6.313936 8.927113\n5.948416 -6.313936 8.927113\n5.948416 6.313936 -8.927113\nCa Ga Ag\n2 1 1\ndirect\n0.000000 0.247694 0.247694 Ca\n0.000000 0.752306 0.752306 Ca\n0.000000 0.000000 0.000000 Ga\n0.000000 0.500000 0.500000 Ag\n","nsites":4,"nelements":3,"elements":["Ca","Ga","Ag"],"chemical_system":"Ag-Ca-Ga","density":0.3191321231457882,"density_atomic":0.0029825481204618226,"volume":1341.1351094582285,"volume_molar":201.9126101833865,"formula_full":"Ca2 Ga1 Ag1","formula_reduced":"Ca2GaAg","formula_anonymous":"ABC2","energy":-4.98475827,"energy_per_atom":-1.2461895675,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-4.98475827,"band_gap":0.0064999999999999,"is_gap_direct":false,"is_magnetic":true,"total_magnetization":2.0002725,"is_theoretical":true,"updated_at":"2021-11-28T01:35:10.932000Z","spacegroup":71},{"id":"mp-1184990","created_at":"2022-09-04T14:43:23.394117Z","structure_string":"K1 Mg3\n1.0\n0.000000 3.907692 3.907692\n3.907692 0.000000 3.907692\n3.907692 3.907692 0.000000\nK Mg\n1 3\ndirect\n0.000000 0.000000 0.000000 K\n0.250000 0.250000 0.250000 Mg\n0.500000 0.500000 0.500000 Mg\n0.750000 0.750000 0.750000 Mg\n","nsites":4,"nelements":2,"elements":["K","Mg"],"chemical_system":"K-Mg","density":1.558575038717814,"density_atomic":0.033517299361503376,"volume":119.34135733484064,"volume_molar":17.96726130899672,"formula_full":"K1 Mg3","formula_reduced":"KMg3","formula_anonymous":"AB3","energy":-4.98356025,"energy_per_atom":-1.2458900625,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-4.98356025,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":0.0019181,"is_theoretical":true,"updated_at":"2021-11-28T01:36:16.794000Z","spacegroup":225},{"id":"mp-406","created_at":"2022-09-04T14:40:18.881490Z","structure_string":"Cd1 Te1\n1.0\n0.000000 3.314524 3.314524\n3.314524 0.000000 3.314524\n3.314524 3.314524 0.000000\nCd Te\n1 1\ndirect\n0.000000 0.000000 0.000000 Cd\n0.750000 0.750000 0.750000 Te\n","nsites":2,"nelements":2,"elements":["Cd","Te"],"chemical_system":"Cd-Te","density":5.472512271905128,"density_atomic":0.02746227399879926,"volume":72.82718102978095,"volume_molar":21.928776765767132,"formula_full":"Cd1 Te1","formula_reduced":"CdTe","formula_anonymous":"AB","energy":-5.404786929999999,"energy_per_atom":-2.7023934649999997,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-4.98278693,"band_gap":0.5846000000000002,"is_gap_direct":true,"is_magnetic":false,"total_magnetization":0.0016615,"is_theoretical":false,"updated_at":"2021-11-28T01:34:52.026000Z","spacegroup":216},{"id":"mp-1066029","created_at":"2022-09-04T14:40:42.742774Z","structure_string":"Rb1 Bi1\n1.0\n4.685266 0.000000 0.000000\n0.000000 4.685266 0.000000\n0.000000 0.000000 3.858881\nRb Bi\n1 1\ndirect\n0.500000 0.500000 0.500000 Rb\n0.000000 0.000000 0.000000 Bi\n","nsites":2,"nelements":2,"elements":["Rb","Bi"],"chemical_system":"Bi-Rb","density":5.772023762262501,"density_atomic":0.02361022385494077,"volume":84.70906554244601,"volume_molar":25.506495817233784,"formula_full":"Rb1 Bi1","formula_reduced":"RbBi","formula_anonymous":"AB","energy":-4.9821576,"energy_per_atom":-2.4910788,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-4.9821576,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":0.000243,"is_theoretical":true,"updated_at":"2021-11-28T01:35:07.660000Z","spacegroup":123},{"id":"mp-975013","created_at":"2022-09-04T14:42:55.772074Z","structure_string":"Rb3 Dy1\n1.0\n0.000000 5.091912 5.091912\n5.091912 0.000000 5.091912\n5.091912 5.091912 0.000000\nRb Dy\n3 1\ndirect\n0.250000 0.250000 0.250000 Rb\n0.750000 0.750000 0.750000 Rb\n0.500000 0.500000 0.500000 Rb\n0.000000 0.000000 0.000000 Dy\n","nsites":4,"nelements":2,"elements":["Rb","Dy"],"chemical_system":"Dy-Rb","density":2.6344521741211633,"density_atomic":0.015149117265248547,"volume":264.0417873836013,"volume_molar":39.75242025365098,"formula_full":"Rb3 Dy1","formula_reduced":"Rb3Dy","formula_anonymous":"AB3","energy":-4.9813701,"energy_per_atom":-1.245342525,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-4.9813701,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":true,"total_magnetization":0.2569921,"is_theoretical":true,"updated_at":"2021-11-28T01:36:00.662000Z","spacegroup":225},{"id":"mp-1186838","created_at":"2022-09-04T14:39:28.369585Z","structure_string":"Rb3 Er1\n1.0\n0.000000 5.104783 5.104783\n5.104783 0.000000 5.104783\n5.104784 5.104783 0.000000\nRb Er\n3 1\ndirect\n0.250000 0.250000 0.250000 Rb\n0.750000 0.750000 0.750000 Rb\n0.500000 0.500000 0.500000 Rb\n0.000000 0.000000 0.000000 Er\n","nsites":4,"nelements":2,"elements":["Rb","Er"],"chemical_system":"Er-Rb","density":2.6442780831219705,"density_atomic":0.015034815296940734,"volume":266.0491612965751,"volume_molar":40.05463746019798,"formula_full":"Rb3 Er1","formula_reduced":"Rb3Er","formula_anonymous":"AB3","energy":-4.97721498,"energy_per_atom":-1.244303745,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-4.97721498,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":0.1179364,"is_theoretical":true,"updated_at":"2021-11-28T01:34:23.631000Z","spacegroup":225},{"id":"mp-1097541","created_at":"2022-09-04T14:43:09.420048Z","structure_string":"Mg2 Hg1 Pd1\n1.0\n-5.532269 5.867259 8.284739\n5.532269 -5.867259 8.284739\n5.532269 5.867259 -8.284739\nMg Hg Pd\n2 1 1\ndirect\n0.000000 0.224650 0.224650 Mg\n0.000000 0.775350 0.775350 Mg\n0.000000 0.500000 0.500000 Hg\n0.000000 0.000000 0.000000 Pd\n","nsites":4,"nelements":3,"elements":["Mg","Hg","Pd"],"chemical_system":"Hg-Mg-Pd","density":0.5489817456681741,"density_atomic":0.00371862701560853,"volume":1075.6658259111327,"volume_molar":161.94527535896242,"formula_full":"Mg2 Hg1 Pd1","formula_reduced":"Mg2HgPd","formula_anonymous":"ABC2","energy":-4.97436321,"energy_per_atom":-1.2435908025,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-4.97436321,"band_gap":0.5150000000000001,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":1.4e-05,"is_theoretical":true,"updated_at":"2021-11-28T01:36:10.158000Z","spacegroup":71},{"id":"mp-1185047","created_at":"2022-09-04T14:41:17.753634Z","structure_string":"K1 Mg3\n1.0\n-2.651040 2.651040 4.248746\n2.651040 -2.651040 4.248746\n2.651040 2.651040 -4.248746\nK Mg\n1 3\ndirect\n0.000000 0.000000 0.000000 K\n0.500000 0.500000 0.000000 Mg\n0.750000 0.250000 0.500000 Mg\n0.250000 0.750000 0.500000 Mg\n","nsites":4,"nelements":2,"elements":["K","Mg"],"chemical_system":"K-Mg","density":1.5572752031874177,"density_atomic":0.03348934627903334,"volume":119.4409698735827,"volume_molar":17.98225832724086,"formula_full":"K1 Mg3","formula_reduced":"KMg3","formula_anonymous":"AB3","energy":-4.97105713,"energy_per_atom":-1.2427642825,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-4.97105713,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":0.0034813,"is_theoretical":true,"updated_at":"2021-11-28T01:35:16.632000Z","spacegroup":139}]}