{"count":1013513,"next":"https://simmate.org/third-parties/OqmdStructure/?format=json&ordering=density&page=3","previous":"https://simmate.org/third-parties/OqmdStructure/?format=json&ordering=density","results":[{"id":"oqmd-1240324","created_at":"2022-09-04T15:40:53.460047Z","updated_at":"2022-09-04T15:40:53.460080Z","structure_string":"Rb2 Be4\n1.0\n5.900723 3.406784 9.635841\n-5.900723 3.406784 9.635841\n0.000000 -6.813568 9.635841\nBe Rb\n4 2\ndirect\n0.625000 0.625000 0.125000 Be\n0.625000 0.125000 0.625000 Be\n0.125000 0.625000 0.625000 Be\n0.625000 0.625000 0.625000 Be\n0.500000 0.500000 0.500000 Rb\n0.749999 0.749999 0.749999 Rb\n","nsites":6,"nelements":2,"elements":["Be","Rb"],"chemical_system":"Be-Rb","density":0.29573032386365694,"density_atomic":0.005162505746588061,"volume":1162.2263091843424,"volume_molar":116.65150714805651,"formula_full":"Rb2 Be4","formula_reduced":"RbBe2","formula_anonymous":"AB2","formation_energy":2.32247907333333,"spacegroup":227},{"id":"oqmd-1236701","created_at":"2022-09-04T15:40:28.335374Z","updated_at":"2022-09-04T15:40:28.335394Z","structure_string":"K4 Li2\n1.0\n5.466267 3.155950 8.926376\n-5.466267 3.155950 8.926376\n0.000000 -6.311901 8.926376\nK Li\n4 2\ndirect\n0.625000 0.625000 0.125000 K\n0.625000 0.125000 0.625000 K\n0.125000 0.625000 0.625000 K\n0.625000 0.625000 0.625000 K\n0.500000 0.500000 0.500000 Li\n0.750000 0.750000 0.750000 Li\n","nsites":6,"nelements":2,"elements":["K","Li"],"chemical_system":"K-Li","density":0.30602229574031986,"density_atomic":0.006493873475233356,"volume":923.9477829192524,"volume_molar":92.73572672716104,"formula_full":"K4 Li2","formula_reduced":"K2Li","formula_anonymous":"AB2","formation_energy":0.529398955,"spacegroup":227},{"id":"oqmd-1239272","created_at":"2022-09-04T15:40:49.691670Z","updated_at":"2022-09-04T15:40:49.691689Z","structure_string":"K4 Mg2\n1.0\n5.807397 3.352902 9.483439\n-5.807397 3.352902 9.483439\n0.000000 -6.705804 9.483439\nK Mg\n4 2\ndirect\n0.625000 0.625000 0.125000 K\n0.625000 0.125000 0.625000 K\n0.125000 0.625000 0.625000 K\n0.625000 0.625000 0.625000 K\n0.500000 0.500000 0.500000 Mg\n0.750000 0.750000 0.750000 Mg\n","nsites":6,"nelements":2,"elements":["K","Mg"],"chemical_system":"K-Mg","density":0.30724884324685675,"density_atomic":0.00541541531942673,"volume":1107.9482636310809,"volume_molar":111.2036733063993,"formula_full":"K4 Mg2","formula_reduced":"K2Mg","formula_anonymous":"AB2","formation_energy":0.65094665361111,"spacegroup":227},{"id":"oqmd-40867","created_at":"2022-09-04T15:15:50.961982Z","updated_at":"2022-09-04T15:15:50.961999Z","structure_string":"H2\n1.0\n3.579711 0.000000 0.000000\n-1.789855 3.104049 0.000000\n0.000000 0.000000 0.969201\nH\n2\ndirect\n0.333435 0.666871 0.250000 H\n0.666566 0.333129 0.749999 H\n","nsites":2,"nelements":1,"elements":["H"],"chemical_system":"H","density":0.31083032709645825,"density_atomic":0.18571184623078654,"volume":10.769372232262308,"volume_molar":3.2427337739759516,"formula_full":"H2","formula_reduced":"H","formula_anonymous":"A","formation_energy":0.387579205,"spacegroup":194},{"id":"oqmd-1236564","created_at":"2022-09-04T15:40:26.637116Z","updated_at":"2022-09-04T15:40:26.637144Z","structure_string":"Li4 Al2\n1.0\n4.251650 2.454691 6.942916\n-4.251650 2.454691 6.942916\n0.000000 -4.909383 6.942916\nAl Li\n2 4\ndirect\n0.125000 0.125000 0.125000 Al\n0.875000 0.875000 0.875000 Al\n0.000000 0.000000 0.000000 Li\n0.500000 0.000000 0.000000 Li\n0.000000 0.500000 0.000000 Li\n0.000000 0.000000 0.500000 Li\n","nsites":6,"nelements":2,"elements":["Al","Li"],"chemical_system":"Al-Li","density":0.31215299679227326,"density_atomic":0.013800781946881079,"volume":434.7579740839233,"volume_molar":43.636228607763634,"formula_full":"Li4 Al2","formula_reduced":"Li2Al","formula_anonymous":"AB2","formation_energy":1.10585791833333,"spacegroup":227},{"id":"oqmd-1238075","created_at":"2022-09-04T15:40:44.335498Z","updated_at":"2022-09-04T15:40:44.335533Z","structure_string":"Cs2 Mg4\n1.0\n0.000000 9.836501 9.836501\n9.836501 0.000000 9.836501\n9.836501 9.836501 0.000000\nCs Mg\n2 4\ndirect\n0.250000 0.250000 0.250000 Cs\n0.500000 0.500000 0.500000 Cs\n0.375000 0.375000 0.375000 Mg\n0.875001 0.375000 0.375000 Mg\n0.375000 0.875001 0.375000 Mg\n0.375000 0.375000 0.875001 Mg\n","nsites":6,"nelements":2,"elements":["Cs","Mg"],"chemical_system":"Cs-Mg","density":0.3166946868740537,"density_atomic":0.0031520952563467513,"volume":1903.4957740947027,"volume_molar":191.0519914610577,"formula_full":"Cs2 Mg4","formula_reduced":"CsMg2","formula_anonymous":"AB2","formation_energy":0.96567859222222,"spacegroup":227},{"id":"oqmd-1214796","created_at":"2022-09-04T15:39:04.589462Z","updated_at":"2022-09-04T15:39:04.589489Z","structure_string":"H29\n1.0\n3.366164 3.366164 -3.366164\n3.366164 -3.366164 3.366164\n-3.366164 -3.366164 -3.366164\nH\n29\ndirect\n0.000000 0.000000 0.000000 H\n0.208965 0.000000 0.000000 H\n0.000000 0.208965 0.000000 H\n0.745181 0.434753 0.000000 H\n0.770121 0.570173 0.000000 H\n0.434753 0.745181 0.000000 H\n0.570173 0.770121 0.000000 H\n0.429828 0.429828 0.199949 H\n0.000000 0.000000 0.208965 H\n0.800050 0.229879 0.229879 H\n0.229879 0.800050 0.229879 H\n0.689571 0.254818 0.254818 H\n0.254818 0.689571 0.254818 H\n0.565246 0.565246 0.310428 H\n0.429828 0.199949 0.429828 H\n0.199949 0.429828 0.429828 H\n0.745181 0.000000 0.434753 H\n0.000000 0.745181 0.434753 H\n0.565246 0.310428 0.565246 H\n0.310428 0.565246 0.565246 H\n0.770121 0.000000 0.570173 H\n0.000000 0.770121 0.570173 H\n0.254818 0.254818 0.689571 H\n0.434753 0.000000 0.745181 H\n0.000000 0.434753 0.745181 H\n0.570173 0.000000 0.770121 H\n0.000000 0.570173 0.770121 H\n0.791034 0.791034 0.791034 H\n0.229879 0.229879 0.800050 H\n","nsites":29,"nelements":1,"elements":["H"],"chemical_system":"H","density":0.3181383112255239,"density_atomic":0.19007814870040657,"volume":152.56882602380887,"volume_molar":3.168244641045959,"formula_full":"H29","formula_reduced":"H","formula_anonymous":"A","formation_energy":0.36043791655172,"spacegroup":217},{"id":"oqmd-1239365","created_at":"2022-09-04T15:40:49.007397Z","updated_at":"2022-09-04T15:40:49.007424Z","structure_string":"Li4 B2\n1.0\n3.560135 2.055445 5.813676\n-3.560135 2.055445 5.813676\n0.000000 -4.110890 5.813676\nB Li\n2 4\ndirect\n0.500000 0.500000 0.500000 B\n0.750000 0.750000 0.750000 B\n0.624999 0.624999 0.125000 Li\n0.624999 0.125000 0.624999 Li\n0.125000 0.624999 0.624999 Li\n0.624999 0.624999 0.624999 Li\n","nsites":6,"nelements":2,"elements":["B","Li"],"chemical_system":"B-Li","density":0.32127619492241255,"density_atomic":0.023505898060121263,"volume":255.25508468784057,"volume_molar":25.619700828264943,"formula_full":"Li4 B2","formula_reduced":"Li2B","formula_anonymous":"AB2","formation_energy":1.55582414333333,"spacegroup":227},{"id":"oqmd-1237257","created_at":"2022-09-04T15:40:41.693826Z","updated_at":"2022-09-04T15:40:41.693848Z","structure_string":"K4 Na2\n1.0\n5.674868 3.276387 9.267021\n-5.674868 3.276387 9.267021\n0.000000 -6.552773 9.267021\nK Na\n4 2\ndirect\n0.625000 0.625000 0.125001 K\n0.625000 0.125001 0.625000 K\n0.125001 0.625000 0.625000 K\n0.625000 0.625000 0.625000 K\n0.500000 0.500000 0.500000 Na\n0.749999 0.749999 0.749999 Na\n","nsites":6,"nelements":2,"elements":["K","Na"],"chemical_system":"K-Na","density":0.3250564549289672,"density_atomic":0.0058037532361354385,"volume":1033.813767725803,"volume_molar":103.76286714784551,"formula_full":"K4 Na2","formula_reduced":"K2Na","formula_anonymous":"AB2","formation_energy":0.410711136382784,"spacegroup":227},{"id":"oqmd-1240088","created_at":"2022-09-04T15:40:52.161354Z","updated_at":"2022-09-04T15:40:52.161377Z","structure_string":"Mg2 Be4\n1.0\n4.211693 2.431622 6.877667\n-4.211693 2.431622 6.877667\n0.000000 -4.863245 6.877667\nBe Mg\n4 2\ndirect\n0.375000 0.375000 0.375000 Be\n0.874999 0.375000 0.375000 Be\n0.375000 0.874999 0.375000 Be\n0.375000 0.375000 0.874999 Be\n0.250000 0.250000 0.250000 Mg\n0.499999 0.499999 0.499999 Mg\n","nsites":6,"nelements":2,"elements":["Be","Mg"],"chemical_system":"Be-Mg","density":0.3326408724111783,"density_atomic":0.014197308683033245,"volume":422.61530927832894,"volume_molar":42.41748133008385,"formula_full":"Mg2 Be4","formula_reduced":"MgBe2","formula_anonymous":"AB2","formation_energy":2.16089830694444,"spacegroup":227},{"id":"oqmd-1238916","created_at":"2022-09-04T15:40:48.219991Z","updated_at":"2022-09-04T15:40:48.220015Z","structure_string":"Na2 B4\n1.0\n0.000000 5.976487 5.976487\n5.976487 0.000000 5.976487\n5.976487 5.976487 0.000000\nB Na\n4 2\ndirect\n0.125000 0.125000 0.125000 B\n0.625000 0.125000 0.125000 B\n0.125000 0.625000 0.125000 B\n0.125000 0.125000 0.625000 B\n0.000000 0.000000 0.000000 Na\n0.250000 0.250000 0.250000 Na\n","nsites":6,"nelements":2,"elements":["B","Na"],"chemical_system":"B-Na","density":0.3470248757868947,"density_atomic":0.014053461790424623,"volume":426.9410690032346,"volume_molar":42.851653562705856,"formula_full":"Na2 B4","formula_reduced":"NaB2","formula_anonymous":"AB2","formation_energy":3.58118547304945,"spacegroup":227},{"id":"oqmd-1239153","created_at":"2022-09-04T15:40:48.229839Z","updated_at":"2022-09-04T15:40:48.229860Z","structure_string":"K2 Rb4\n1.0\n7.030173 4.058872 11.480225\n-7.030173 4.058872 11.480225\n0.000000 -8.117745 11.480225\nK Rb\n2 4\ndirect\n0.500000 0.500000 0.500000 K\n0.750000 0.750000 0.750000 K\n0.625001 0.625001 0.125000 Rb\n0.625001 0.125000 0.625001 Rb\n0.125000 0.625001 0.625001 Rb\n0.625001 0.625001 0.625001 Rb\n","nsites":6,"nelements":2,"elements":["K","Rb"],"chemical_system":"K-Rb","density":0.35489136770376567,"density_atomic":0.0030526583159569496,"volume":1965.5000262022825,"volume_molar":197.27529702623056,"formula_full":"K2 Rb4","formula_reduced":"KRb2","formula_anonymous":"AB2","formation_energy":0.421216226666667,"spacegroup":227}]}