{"count":55712,"next":"https://simmate.org/third-parties/JarvisStructure/?format=json&ordering=spacegroup&page=3594","previous":"https://simmate.org/third-parties/JarvisStructure/?format=json&ordering=spacegroup&page=3592","results":[{"id":"jvasp-99090","created_at":"2022-09-04T14:36:15.831400Z","updated_at":"2022-09-04T14:36:15.831431Z","structure_string":"K1 Cl1 O4\n1.0\n4.554141 0.000000 2.629335\n1.518047 4.293744 2.629335\n0.000000 -0.000000 5.258669\nK Cl O\n1 1 4\ndirect\n0.500002 0.499993 0.500001 K\n-0.000000 0.000001 -0.000000 Cl\n0.660335 0.113222 0.113222 O\n0.113222 0.113222 0.660335 O\n0.113222 0.113222 0.113222 O\n0.113221 0.660340 0.113220 O\n","nsites":6,"nelements":3,"elements":["K","Cl","O"],"chemical_system":"Cl-K-O","density":2.2373489466424337,"density_atomic":0.05834891633455623,"volume":102.82967322987957,"volume_molar":10.320912774918977,"formula_full":"K1 Cl1 O4","formula_reduced":"KClO4","formula_anonymous":"ABC4","energy_above_hull":1.6359464797222223,"spacegroup":216},{"id":"jvasp-64772","created_at":"2022-09-04T14:36:15.857210Z","updated_at":"2022-09-04T14:36:15.857237Z","structure_string":"Ba4 Zr1 Bi1\n1.0\n0.000000 5.020394 5.020394\n5.020394 0.000000 5.020394\n5.020394 5.020394 0.000000\nBa Zr Bi\n4 1 1\ndirect\n0.126784 0.624405 0.624405 Ba\n0.624405 0.624405 0.624405 Ba\n0.624405 0.126784 0.624405 Ba\n0.624405 0.624405 0.126784 Ba\n0.000000 0.000000 0.000000 Zr\n0.250000 0.250000 0.250000 Bi\n","nsites":6,"nelements":3,"elements":["Ba","Zr","Bi"],"chemical_system":"Ba-Bi-Zr","density":5.574108508646079,"density_atomic":0.023708705885056486,"volume":253.0715944214306,"volume_molar":25.400546066058098,"formula_full":"Ba4 Zr1 Bi1","formula_reduced":"Ba4ZrBi","formula_anonymous":"ABC4","energy_above_hull":0.8618187799999999,"spacegroup":216},{"id":"jvasp-75680","created_at":"2022-09-04T14:36:15.870042Z","updated_at":"2022-09-04T14:36:15.870073Z","structure_string":"Be2 As1 Cl1\n1.0\n0.000000 3.164174 3.164174\n3.164174 -0.000000 3.164174\n3.164174 3.164174 0.000000\nBe As Cl\n2 1 1\ndirect\n0.000000 0.000000 0.000000 Be\n0.250000 0.250000 0.250000 Be\n0.499999 0.499999 0.499999 As\n0.749999 0.749999 0.749999 Cl\n","nsites":4,"nelements":3,"elements":["Be","As","Cl"],"chemical_system":"As-Be-Cl","density":3.365112195621131,"density_atomic":0.06313190913978503,"volume":63.359401838194124,"volume_molar":9.538980908475196,"formula_full":"Be2 As1 Cl1","formula_reduced":"Be2AsCl","formula_anonymous":"ABC2","energy_above_hull":1.748797004375,"spacegroup":216},{"id":"jvasp-64413","created_at":"2022-09-04T14:36:15.842034Z","updated_at":"2022-09-04T14:36:15.842068Z","structure_string":"Ba4 Ca1 Tc1\n1.0\n0.000000 4.958046 4.958046\n4.958046 0.000000 4.958046\n4.958046 4.958046 -0.000000\nBa Ca Tc\n4 1 1\ndirect\n0.119364 0.626879 0.626879 Ba\n0.626879 0.626879 0.626879 Ba\n0.626879 0.119364 0.626879 Ba\n0.626879 0.626879 0.119364 Ba\n0.250000 0.250000 0.250000 Ca\n0.000000 0.000000 0.000000 Tc\n","nsites":6,"nelements":3,"elements":["Ba","Ca","Tc"],"chemical_system":"Ba-Ca-Tc","density":4.682611518659341,"density_atomic":0.024614419583327864,"volume":243.75955645381103,"volume_molar":24.465906009333608,"formula_full":"Ba4 Ca1 Tc1","formula_reduced":"Ba4CaTc","formula_anonymous":"ABC4","energy_above_hull":0.9226426333333332,"spacegroup":216},{"id":"jvasp-64506","created_at":"2022-09-04T14:36:15.918387Z","updated_at":"2022-09-04T14:36:15.918413Z","structure_string":"Ba4 Y1 Zr1\n1.0\n-0.000000 5.023141 5.023141\n5.023141 -0.000000 5.023141\n5.023141 5.023141 0.000000\nBa Y Zr\n4 1 1\ndirect\n0.122970 0.625677 0.625677 Ba\n0.625677 0.625677 0.625677 Ba\n0.625677 0.122970 0.625677 Ba\n0.625677 0.625677 0.122970 Ba\n0.250000 0.250000 0.250000 Y\n0.000000 0.000000 0.000000 Zr\n","nsites":6,"nelements":3,"elements":["Ba","Y","Zr"],"chemical_system":"Ba-Y-Zr","density":4.778386662655834,"density_atomic":0.02366983048507654,"volume":253.48723996071314,"volume_molar":25.44226399845519,"formula_full":"Ba4 Y1 Zr1","formula_reduced":"Ba4YZr","formula_anonymous":"ABC4","energy_above_hull":1.2863739716666664,"spacegroup":216},{"id":"jvasp-63999","created_at":"2022-09-04T14:36:16.018601Z","updated_at":"2022-09-04T14:36:16.018629Z","structure_string":"Ba4 Be1 Nb1\n1.0\n-0.000000 4.929183 4.929183\n4.929183 0.000000 4.929183\n4.929183 4.929183 0.000000\nBa Be Nb\n4 1 1\ndirect\n0.125370 0.624876 0.624876 Ba\n0.624876 0.624876 0.624876 Ba\n0.624876 0.125370 0.624876 Ba\n0.624876 0.624876 0.125370 Ba\n0.250000 0.250000 0.250000 Be\n0.000000 0.000000 0.000000 Nb\n","nsites":6,"nelements":3,"elements":["Ba","Be","Nb"],"chemical_system":"Ba-Be-Nb","density":4.514673855342557,"density_atomic":0.025049348142307817,"volume":239.52719112343397,"volume_molar":24.04110767987903,"formula_full":"Ba4 Be1 Nb1","formula_reduced":"Ba4BeNb","formula_anonymous":"ABC4","energy_above_hull":1.386831563333333,"spacegroup":216},{"id":"jvasp-66509","created_at":"2022-09-04T14:36:16.093584Z","updated_at":"2022-09-04T14:36:16.093613Z","structure_string":"Ba1 Sr1 Nb1\n1.0\n-0.000000 3.952870 3.952870\n3.952870 0.000000 3.952870\n3.952870 3.952870 0.000000\nBa Sr Nb\n1 1 1\ndirect\n0.750000 0.750000 0.750000 Ba\n0.500000 0.500000 0.500000 Sr\n0.000000 0.000000 0.000000 Nb\n","nsites":3,"nelements":3,"elements":["Ba","Sr","Nb"],"chemical_system":"Ba-Nb-Sr","density":4.272758439368683,"density_atomic":0.024285869885273776,"volume":123.5286203118098,"volume_molar":24.79689131354379,"formula_full":"Ba1 Sr1 Nb1","formula_reduced":"BaSrNb","formula_anonymous":"ABC","energy_above_hull":1.884973893333333,"spacegroup":216},{"id":"jvasp-65281","created_at":"2022-09-04T14:36:15.987056Z","updated_at":"2022-09-04T14:36:15.987080Z","structure_string":"Hf4 Be1 P1\n1.0\n-0.000000 3.954375 3.954375\n3.954375 -0.000000 3.954375\n3.954375 3.954375 0.000000\nHf Be P\n4 1 1\ndirect\n0.122033 0.625988 0.625988 Hf\n0.625988 0.625988 0.625988 Hf\n0.625988 0.122033 0.625988 Hf\n0.625988 0.625988 0.122033 Hf\n0.000000 0.000000 0.000000 Be\n0.250000 0.250000 0.250000 P\n","nsites":6,"nelements":3,"elements":["Hf","Be","P"],"chemical_system":"Be-Hf-P","density":10.12338504336667,"density_atomic":0.048516302956516044,"volume":123.669769425293,"volume_molar":12.412612653930978,"formula_full":"Hf4 Be1 P1","formula_reduced":"Hf4BeP","formula_anonymous":"ABC4","energy_above_hull":5.070600600000001,"spacegroup":216},{"id":"jvasp-75752","created_at":"2022-09-04T14:36:16.034108Z","updated_at":"2022-09-04T14:36:16.034132Z","structure_string":"Cd1 Fe1 As1\n1.0\n0.000000 3.160940 3.160940\n3.160940 0.000000 3.160940\n3.160940 3.160940 0.000000\nCd Fe As\n1 1 1\ndirect\n0.750000 0.750000 0.750000 Cd\n0.000000 0.000000 0.000000 Fe\n0.500000 0.500000 0.500000 As\n","nsites":3,"nelements":3,"elements":["Cd","Fe","As"],"chemical_system":"As-Cd-Fe","density":6.392841146505815,"density_atomic":0.04749441057138745,"volume":63.16532753871718,"volume_molar":12.679683119655309,"formula_full":"Cd1 Fe1 As1","formula_reduced":"CdFeAs","formula_anonymous":"ABC","energy_above_hull":1.382972333333333,"spacegroup":216},{"id":"jvasp-64225","created_at":"2022-09-04T14:36:15.936560Z","updated_at":"2022-09-04T14:36:15.936588Z","structure_string":"Ba4 Sc1 Be1\n1.0\n0.000000 5.056242 5.056242\n5.056242 0.000000 5.056242\n5.056242 5.056242 -0.000000\nBa Sc Be\n4 1 1\ndirect\n0.126331 0.624556 0.624556 Ba\n0.624556 0.624556 0.624556 Ba\n0.624556 0.126331 0.624556 Ba\n0.624556 0.624556 0.126331 Ba\n0.000000 0.000000 0.000000 Sc\n0.250000 0.250000 0.250000 Be\n","nsites":6,"nelements":3,"elements":["Ba","Sc","Be"],"chemical_system":"Ba-Be-Sc","density":3.8748211558312584,"density_atomic":0.0232079991172059,"volume":258.5315506820979,"volume_molar":25.948556485144458,"formula_full":"Ba4 Sc1 Be1","formula_reduced":"Ba4ScBe","formula_anonymous":"ABC4","energy_above_hull":0.7933775383333331,"spacegroup":216},{"id":"jvasp-63284","created_at":"2022-09-04T14:36:15.942458Z","updated_at":"2022-09-04T14:36:15.942478Z","structure_string":"Tb1 Ni4 Au1\n1.0\n-0.000000 3.490977 3.490977\n3.490977 0.000000 3.490977\n3.490977 3.490977 0.000000\nTb Ni Au\n1 4 1\ndirect\n0.000000 0.000000 0.000000 Tb\n0.375599 0.375599 0.375599 Ni\n0.375599 0.873205 0.375599 Ni\n0.375599 0.375599 0.873205 Ni\n0.873205 0.375599 0.375599 Ni\n0.750001 0.750001 0.750001 Au\n","nsites":6,"nelements":3,"elements":["Tb","Ni","Au"],"chemical_system":"Au-Ni-Tb","density":11.527091970709156,"density_atomic":0.0705148022277552,"volume":85.08851773590241,"volume_molar":8.54025051442268,"formula_full":"Tb1 Ni4 Au1","formula_reduced":"TbNi4Au","formula_anonymous":"ABC4","energy_above_hull":1.0395892616666669,"spacegroup":216},{"id":"jvasp-67795","created_at":"2022-09-04T14:36:16.511672Z","updated_at":"2022-09-04T14:36:16.511716Z","structure_string":"Ca1 Be1 Tc2\n1.0\n-2.215201 2.215201 3.133180\n2.215201 -2.215201 3.133180\n2.215201 2.215201 -3.133180\nCa Be Tc\n1 1 2\ndirect\n0.750000 0.250000 0.500000 Ca\n0.500000 0.500000 0.000000 Be\n0.000000 0.000000 0.000000 Tc\n0.250000 0.750000 0.500000 Tc\n","nsites":4,"nelements":3,"elements":["Ca","Be","Tc"],"chemical_system":"Be-Ca-Tc","density":6.617643952696928,"density_atomic":0.06504117475660581,"volume":61.499504198204015,"volume_molar":9.258966773794889,"formula_full":"Ca1 Be1 Tc2","formula_reduced":"CaBeTc2","formula_anonymous":"ABC2","energy_above_hull":3.16238488,"spacegroup":216}]}