{"count":55712,"next":"https://simmate.org/third-parties/JarvisStructure/?format=json&ordering=formula_anonymous&page=3416","previous":"https://simmate.org/third-parties/JarvisStructure/?format=json&ordering=formula_anonymous&page=3414","results":[{"id":"jvasp-65104","created_at":"2022-09-04T14:35:54.668222Z","updated_at":"2022-09-04T14:35:54.668246Z","structure_string":"Mg1 Be2 Se1\n1.0\n3.254031 0.000000 0.000000\n0.000000 3.254031 -0.000000\n-0.000000 0.000000 5.799847\nMg Be Se\n1 2 1\ndirect\n0.000000 0.000000 0.458907 Mg\n0.000000 0.000000 -0.005955 Be\n0.500000 0.500000 0.210759 Be\n0.500000 0.500000 0.836290 Se\n","nsites":4,"nelements":3,"elements":["Mg","Be","Se"],"chemical_system":"Be-Mg-Se","density":3.2795322593624605,"density_atomic":0.06513285006479769,"volume":61.4129428701582,"volume_molar":9.245934661248278,"formula_full":"Mg1 Be2 Se1","formula_reduced":"MgBe2Se","formula_anonymous":"ABC2","energy_above_hull":1.0944586541666663,"spacegroup":99},{"id":"jvasp-71994","created_at":"2022-09-04T14:35:48.781064Z","updated_at":"2022-09-04T14:35:48.781083Z","structure_string":"Mn1 Be1 Ge2\n1.0\n-1.818550 1.818550 4.172302\n1.818550 -1.818550 4.172302\n1.818550 1.818550 -4.172302\nMn Be Ge\n1 1 2\ndirect\n0.500000 0.500000 0.000000 Mn\n0.750000 0.250000 0.500000 Be\n0.000000 0.000000 0.000000 Ge\n0.250000 0.750000 0.500000 Ge\n","nsites":4,"nelements":3,"elements":["Mn","Be","Ge"],"chemical_system":"Be-Ge-Mn","density":6.294877801760112,"density_atomic":0.0724725882026581,"volume":55.19328202843583,"volume_molar":8.309542834540473,"formula_full":"Mn1 Be1 Ge2","formula_reduced":"MnBeGe2","formula_anonymous":"ABC2","energy_above_hull":1.9886238103448275,"spacegroup":119},{"id":"jvasp-68600","created_at":"2022-09-04T14:36:00.546125Z","updated_at":"2022-09-04T14:36:00.546154Z","structure_string":"Be2 V1 Si1\n1.0\n2.460874 -0.000000 -0.000000\n-0.000000 2.460874 -0.000000\n0.000000 0.000000 7.645556\nBe V Si\n2 1 1\ndirect\n0.000000 0.000000 0.737250 Be\n0.000000 0.000000 0.262751 Be\n0.499999 0.499999 0.500000 V\n0.499999 0.499999 0.000000 Si\n","nsites":4,"nelements":3,"elements":["Be","V","Si"],"chemical_system":"Be-Si-V","density":3.4806704939005804,"density_atomic":0.08639172824275491,"volume":46.30072903230122,"volume_molar":6.9707376880784135,"formula_full":"Be2 V1 Si1","formula_reduced":"Be2VSi","formula_anonymous":"ABC2","energy_above_hull":2.85528625,"spacegroup":123},{"id":"jvasp-74401","created_at":"2022-09-04T14:35:55.485815Z","updated_at":"2022-09-04T14:35:55.485845Z","structure_string":"Be1 Bi2 P1\n1.0\n-2.520918 2.520918 3.567754\n2.520918 -2.520918 3.567754\n2.520918 2.520918 -3.567754\nBe Bi P\n1 2 1\ndirect\n0.750000 0.250000 0.500000 Be\n0.000000 0.000000 0.000000 Bi\n0.499999 0.499999 0.000000 Bi\n0.250000 0.750000 0.500000 P\n","nsites":4,"nelements":3,"elements":["Be","Bi","P"],"chemical_system":"Be-Bi-P","density":8.384781339610186,"density_atomic":0.04410498307759879,"volume":90.69270002807521,"volume_molar":13.654105136838123,"formula_full":"Be1 Bi2 P1","formula_reduced":"BeBi2P","formula_anonymous":"ABC2","energy_above_hull":1.81930255,"spacegroup":225},{"id":"jvasp-69006","created_at":"2022-09-04T14:35:48.779630Z","updated_at":"2022-09-04T14:35:48.779651Z","structure_string":"Ba1 In1 Te2\n1.0\n5.663990 0.000000 -0.000000\n0.000000 5.663990 0.000000\n0.000000 0.000000 4.276387\nBa In Te\n1 1 2\ndirect\n0.500000 0.500000 0.500000 Ba\n0.000000 0.000000 0.500000 In\n0.500000 0.000000 0.000000 Te\n0.000000 0.500000 0.000000 Te\n","nsites":4,"nelements":3,"elements":["Ba","In","Te"],"chemical_system":"Ba-In-Te","density":6.140878795350561,"density_atomic":0.029156677612654298,"volume":137.1898421740603,"volume_molar":20.654413510359387,"formula_full":"Ba1 In1 Te2","formula_reduced":"BaInTe2","formula_anonymous":"ABC2","energy_above_hull":0.1822825888888889,"spacegroup":123},{"id":"jvasp-72730","created_at":"2022-09-04T14:35:48.775576Z","updated_at":"2022-09-04T14:35:48.775606Z","structure_string":"K1 Ti1 Be2\n1.0\n-2.354656 2.354656 3.329401\n2.354656 -2.354656 3.329401\n2.354656 2.354656 -3.329401\nK Ti Be\n1 1 2\ndirect\n0.250000 0.750001 0.500001 K\n0.750001 0.250000 0.500001 Ti\n0.000000 0.000000 0.000000 Be\n0.500000 0.500000 0.000000 Be\n","nsites":4,"nelements":3,"elements":["K","Ti","Be"],"chemical_system":"Be-K-Ti","density":2.3611012404468004,"density_atomic":0.0541725098710478,"volume":73.83818858534701,"volume_molar":11.116599128109623,"formula_full":"K1 Ti1 Be2","formula_reduced":"KTiBe2","formula_anonymous":"ABC2","energy_above_hull":1.9205296333333333,"spacegroup":225},{"id":"jvasp-69012","created_at":"2022-09-04T14:36:00.490930Z","updated_at":"2022-09-04T14:36:00.490955Z","structure_string":"Ba1 Sr1 Mg2\n1.0\n4.247122 -0.000000 0.000000\n0.000000 4.247122 -0.000000\n0.000000 -0.000000 8.471703\nBa Sr Mg\n1 1 2\ndirect\n0.500000 0.500000 0.500000 Ba\n0.500000 0.500000 0.000000 Sr\n0.000000 0.000000 0.765699 Mg\n0.000000 0.000000 0.234301 Mg\n","nsites":4,"nelements":3,"elements":["Ba","Sr","Mg"],"chemical_system":"Ba-Mg-Sr","density":2.9726017904142235,"density_atomic":0.02617578992530086,"volume":152.81296233714423,"volume_molar":23.00652922867153,"formula_full":"Ba1 Sr1 Mg2","formula_reduced":"BaSrMg2","formula_anonymous":"ABC2","energy_above_hull":4.250000000000087e-05,"spacegroup":123},{"id":"jvasp-71681","created_at":"2022-09-04T14:36:02.831728Z","updated_at":"2022-09-04T14:36:02.831764Z","structure_string":"Be1 Fe2 Se1\n1.0\n-1.789971 1.789971 3.816631\n1.789971 -1.789971 3.816631\n1.789971 1.789971 -3.816631\nBe Fe Se\n1 2 1\ndirect\n0.750000 0.250000 0.500000 Be\n0.000000 0.000000 0.000000 Fe\n0.500000 0.500000 0.000000 Fe\n0.250000 0.750000 0.500000 Se\n","nsites":4,"nelements":3,"elements":["Be","Fe","Se"],"chemical_system":"Be-Fe-Se","density":6.778174665696413,"density_atomic":0.08177637154500488,"volume":48.913884590717466,"volume_molar":7.36415745309239,"formula_full":"Be1 Fe2 Se1","formula_reduced":"BeFe2Se","formula_anonymous":"ABC2","energy_above_hull":2.5966626166666664,"spacegroup":139},{"id":"jvasp-1864","created_at":"2022-09-04T14:35:48.764692Z","updated_at":"2022-09-04T14:35:48.764705Z","structure_string":"Na1 Ni1 O2\n1.0\n2.766856 -0.000000 0.745884\n1.288786 2.680214 0.724012\n0.022551 0.019675 5.421111\nNa Ni O\n1 1 2\ndirect\n0.500001 0.499999 0.499998 Na\n0.000000 0.000000 0.000000 Ni\n0.285913 0.231960 0.196215 O\n0.714087 0.768042 0.803783 O\n","nsites":4,"nelements":3,"elements":["Na","Ni","O"],"chemical_system":"Na-Ni-O","density":4.703329654329884,"density_atomic":0.09966088169736854,"volume":40.1361088912142,"volume_molar":6.042632432539486,"formula_full":"Na1 Ni1 O2","formula_reduced":"NaNiO2","formula_anonymous":"ABC2","energy_above_hull":0.9597846,"spacegroup":12},{"id":"jvasp-92222","created_at":"2022-09-04T14:36:00.557902Z","updated_at":"2022-09-04T14:36:00.557927Z","structure_string":"Ti2 O2 F4\n1.0\n3.797015 -0.000000 0.000000\n0.000000 3.797015 0.000000\n0.000000 0.000000 7.857722\nTi O F\n2 2 4\ndirect\n0.000000 0.000000 0.000000 Ti\n0.000000 0.000000 0.500000 Ti\n0.500001 0.000000 0.000000 O\n0.000000 0.500001 0.500000 O\n0.500001 0.000000 0.500000 F\n0.000000 0.500001 0.000000 F\n0.000000 0.000000 0.250000 F\n0.000000 0.000000 0.750000 F\n","nsites":8,"nelements":3,"elements":["Ti","O","F"],"chemical_system":"F-O-Ti","density":2.986174278382784,"density_atomic":0.07061690861726948,"volume":113.28731541277901,"volume_molar":8.527901996728408,"formula_full":"Ti2 O2 F4","formula_reduced":"TiOF2","formula_anonymous":"ABC2","energy_above_hull":0.6606305995833333,"spacegroup":131},{"id":"jvasp-64975","created_at":"2022-09-04T14:35:48.764526Z","updated_at":"2022-09-04T14:35:48.764548Z","structure_string":"Be1 Ge1 S2\n1.0\n-0.000000 3.177105 3.177105\n3.177105 -0.000000 3.177105\n3.177105 3.177105 0.000000\nBe Ge S\n1 1 2\ndirect\n0.000000 0.000000 0.000000 Be\n0.499999 0.499999 0.499999 Ge\n0.749999 0.749999 0.749999 S\n0.250000 0.250000 0.250000 S\n","nsites":4,"nelements":3,"elements":["Be","Ge","S"],"chemical_system":"Be-Ge-S","density":3.7742341850897208,"density_atomic":0.062364190794369764,"volume":64.13937147343087,"volume_molar":9.656408081773233,"formula_full":"Be1 Ge1 S2","formula_reduced":"BeGeS2","formula_anonymous":"ABC2","energy_above_hull":1.6745655125,"spacegroup":225},{"id":"jvasp-91700","created_at":"2022-09-04T14:35:48.248118Z","updated_at":"2022-09-04T14:35:48.248134Z","structure_string":"B4 C2 N2\n1.0\n2.511447 0.000000 0.000000\n0.000000 2.552589 0.000000\n0.000000 0.000000 7.903150\nB C N\n4 2 2\ndirect\n0.250000 0.000000 0.688146 B\n0.750001 0.000000 0.311854 B\n0.250000 0.500000 0.085029 B\n0.750001 0.500000 0.914971 B\n0.250000 0.500000 0.551832 C\n0.750001 0.500000 0.448168 C\n0.250000 0.000000 0.195038 N\n0.750001 0.000000 0.804962 N\n","nsites":8,"nelements":3,"elements":["B","C","N"],"chemical_system":"B-C-N","density":3.1227717398872135,"density_atomic":0.15790098939491073,"volume":50.66466037139249,"volume_molar":3.8138714539264935,"formula_full":"B4 C2 N2","formula_reduced":"B2CN","formula_anonymous":"ABC2","energy_above_hull":4.894097104166667,"spacegroup":51}]}