{"count":1013513,"next":"https://simmate.org/third-parties/OqmdStructure/?format=json&ordering=density&page=19","previous":"https://simmate.org/third-parties/OqmdStructure/?format=json&ordering=density&page=17","results":[{"id":"oqmd-1214530","created_at":"2022-09-04T15:39:02.792733Z","updated_at":"2022-09-04T15:39:02.792763Z","structure_string":"He1\n1.0\n0.000000 1.698078 -1.698078\n1.698078 0.000000 1.698078\n0.000000 -1.698078 -1.698078\nHe\n1\ndirect\n0.000000 0.000000 0.000000 He\n","nsites":1,"nelements":1,"elements":["He"],"chemical_system":"He","density":0.6787168070103868,"density_atomic":0.10211677677187983,"volume":9.792710185456741,"volume_molar":5.89730791587062,"formula_full":"He1","formula_reduced":"He","formula_anonymous":"A","formation_energy":0.00203922,"spacegroup":225},{"id":"oqmd-1237828","created_at":"2022-09-04T15:40:44.110416Z","updated_at":"2022-09-04T15:40:44.110446Z","structure_string":"Be4 B2\n1.0\n0.000000 4.131741 4.131741\n4.131741 0.000000 4.131741\n4.131741 4.131741 0.000000\nB Be\n2 4\ndirect\n0.500000 0.500000 0.500000 B\n0.750000 0.750000 0.750000 B\n0.624999 0.624999 0.125002 Be\n0.624999 0.125002 0.624999 Be\n0.125002 0.624999 0.624999 Be\n0.624999 0.624999 0.624999 Be\n","nsites":6,"nelements":2,"elements":["B","Be"],"chemical_system":"B-Be","density":0.6788522569703624,"density_atomic":0.042532605256503674,"volume":141.0682454981414,"volume_molar":14.158880519267399,"formula_full":"Be4 B2","formula_reduced":"Be2B","formula_anonymous":"AB2","formation_energy":1.26370843833333,"spacegroup":227},{"id":"oqmd-1521882","created_at":"2022-09-04T15:54:09.460762Z","updated_at":"2022-09-04T15:54:09.460782Z","structure_string":"Li1\n1.0\n-1.619051 1.619051 1.619051\n1.619051 -1.619051 1.619051\n1.619051 1.619051 -1.619051\nLi\n1\ndirect\n0.000000 0.000000 0.000000 Li\n","nsites":1,"nelements":1,"elements":["Li"],"chemical_system":"Li","density":0.6789371341994447,"density_atomic":0.0589058491680308,"volume":16.97624283706476,"volume_molar":10.223332394074571,"formula_full":"Li1","formula_reduced":"Li","formula_anonymous":"A","formation_energy":0.0207847099999998,"spacegroup":229},{"id":"oqmd-1521886","created_at":"2022-09-04T15:54:09.501987Z","updated_at":"2022-09-04T15:54:09.502017Z","structure_string":"Li1\n1.0\n-1.619051 1.619051 1.619051\n1.619051 -1.619051 1.619051\n1.619051 1.619051 -1.619051\nLi\n1\ndirect\n0.000000 0.000000 0.000000 Li\n","nsites":1,"nelements":1,"elements":["Li"],"chemical_system":"Li","density":0.6789371341994447,"density_atomic":0.0589058491680308,"volume":16.97624283706476,"volume_molar":10.223332394074571,"formula_full":"Li1","formula_reduced":"Li","formula_anonymous":"A","formation_energy":0.0207847099999998,"spacegroup":229},{"id":"oqmd-22487","created_at":"2022-09-04T15:16:17.659098Z","updated_at":"2022-09-04T15:16:17.659136Z","structure_string":"Li12\n1.0\n6.941700 -2.722863 0.000000\n-6.941700 -2.722863 0.000000\n0.000000 0.000000 -5.385064\nLi\n12\ndirect\n0.749999 0.749999 0.000271 Li\n0.615749 0.296324 0.249991 Li\n0.296324 0.615749 0.249991 Li\n0.796325 0.115748 0.250006 Li\n0.115748 0.796325 0.250006 Li\n0.249996 0.249996 0.499729 Li\n0.750001 0.750001 0.500271 Li\n0.884253 0.203676 0.749989 Li\n0.203676 0.884253 0.749989 Li\n0.703677 0.384252 0.750008 Li\n0.384252 0.703677 0.750008 Li\n0.250003 0.250003 0.999728 Li\n","nsites":12,"nelements":1,"elements":["Li"],"chemical_system":"Li","density":0.6794224480469067,"density_atomic":0.058947955900536246,"volume":203.56939976422214,"volume_molar":10.21602983174047,"formula_full":"Li12","formula_reduced":"Li","formula_anonymous":"A","formation_energy":0.069973635,"spacegroup":51},{"id":"oqmd-1240582","created_at":"2022-09-04T15:40:53.769976Z","updated_at":"2022-09-04T15:40:53.769997Z","structure_string":"Rb2 Cl4\n1.0\n5.131404 2.962617 8.379547\n-5.131404 2.962617 8.379547\n0.000000 -5.925235 8.379547\nCl Rb\n4 2\ndirect\n0.625000 0.625000 0.125000 Cl\n0.625000 0.125000 0.625000 Cl\n0.125000 0.625000 0.625000 Cl\n0.625000 0.625000 0.625000 Cl\n0.500000 0.500000 0.500000 Rb\n0.750000 0.750000 0.750000 Rb\n","nsites":6,"nelements":2,"elements":["Cl","Rb"],"chemical_system":"Cl-Rb","density":0.679453161382586,"density_atomic":0.007849964467999668,"volume":764.3346698521965,"volume_molar":76.71551615996759,"formula_full":"Rb2 Cl4","formula_reduced":"RbCl2","formula_anonymous":"AB2","formation_energy":-0.979450207079415,"spacegroup":227},{"id":"oqmd-1436211","created_at":"2022-09-04T15:49:42.295635Z","updated_at":"2022-09-04T15:49:42.295653Z","structure_string":"Al10 P2\n1.0\n20.277460 0.000000 0.000000\n0.000000 2.656235 7.513019\n0.000000 -2.656235 7.513019\nAl P\n10 2\ndirect\n0.000000 0.547480 0.028207 Al\n0.500000 0.056734 0.056734 Al\n0.090715 0.194162 0.194162 Al\n0.909285 0.194162 0.194162 Al\n0.500000 0.971711 0.452453 Al\n0.000000 0.028207 0.547480 Al\n0.409345 0.805885 0.805885 Al\n0.590655 0.805885 0.805885 Al\n0.000000 0.943400 0.943400 Al\n0.500000 0.452453 0.971711 Al\n0.000000 0.094567 0.094567 P\n0.500000 0.905365 0.905365 P\n","nsites":12,"nelements":2,"elements":["Al","P"],"chemical_system":"Al-P","density":0.6806947453952122,"density_atomic":0.014827117013576738,"volume":809.3279353641012,"volume_molar":40.61572289802333,"formula_full":"Al10 P2","formula_reduced":"Al5P","formula_anonymous":"AB5","formation_energy":0.84871223934001,"spacegroup":63},{"id":"oqmd-1239711","created_at":"2022-09-04T15:40:50.543215Z","updated_at":"2022-09-04T15:40:50.543236Z","structure_string":"Be4 Cr2\n1.0\n3.922719 2.264783 6.405773\n-3.922719 2.264783 6.405773\n0.000000 -4.529566 6.405773\nBe Cr\n4 2\ndirect\n0.625001 0.625001 0.125001 Be\n0.625001 0.625001 0.625001 Be\n0.125001 0.625001 0.625001 Be\n0.625001 0.125001 0.625001 Be\n0.500000 0.500000 0.500000 Cr\n0.749999 0.749999 0.749999 Cr\n","nsites":6,"nelements":2,"elements":["Be","Cr"],"chemical_system":"Be-Cr","density":0.6810319501864466,"density_atomic":0.017571735603597545,"volume":341.45744821994657,"volume_molar":34.271746945515495,"formula_full":"Be4 Cr2","formula_reduced":"Be2Cr","formula_anonymous":"AB2","formation_energy":2.54385133,"spacegroup":227},{"id":"oqmd-1241559","created_at":"2022-09-04T15:41:18.992124Z","updated_at":"2022-09-04T15:41:18.992149Z","structure_string":"Cs4 Yb2\n1.0\n7.230672 4.174630 11.807637\n-7.230672 4.174630 11.807637\n0.000000 -8.349261 11.807637\nCs Yb\n4 2\ndirect\n0.624999 0.624999 0.125000 Cs\n0.624999 0.125000 0.624999 Cs\n0.624999 0.624999 0.624999 Cs\n0.125000 0.624999 0.624999 Cs\n0.500000 0.500000 0.500000 Yb\n0.750000 0.750000 0.750000 Yb\n","nsites":6,"nelements":2,"elements":["Cs","Yb"],"chemical_system":"Cs-Yb","density":0.6815302874606737,"density_atomic":0.0028056941133111474,"volume":2138.5082470444663,"volume_molar":214.63996133537717,"formula_full":"Cs4 Yb2","formula_reduced":"Cs2Yb","formula_anonymous":"AB2","formation_energy":0.639514405,"spacegroup":227},{"id":"oqmd-1218710","created_at":"2022-09-04T15:39:09.363528Z","updated_at":"2022-09-04T15:39:09.363554Z","structure_string":"Li1 Be1\n1.0\n0.000000 2.687976 2.687976\n2.687976 0.000000 2.687976\n2.687976 2.687976 0.000000\nBe Li\n1 1\ndirect\n0.000000 0.000000 0.000000 Be\n0.250002 0.250002 0.250002 Li\n","nsites":2,"nelements":2,"elements":["Be","Li"],"chemical_system":"Be-Li","density":0.6820092444117145,"density_atomic":0.051490112391219936,"volume":38.8424089037537,"volume_molar":11.695722693794105,"formula_full":"Li1 Be1","formula_reduced":"LiBe","formula_anonymous":"AB","formation_energy":1.39976178,"spacegroup":216},{"id":"oqmd-1473867","created_at":"2022-09-04T15:52:14.044192Z","updated_at":"2022-09-04T15:52:14.044222Z","structure_string":"B2 H6\n1.0\n4.204937 0.000000 0.000000\n0.000000 4.395708 0.000000\n-2.102371 0.000000 3.642472\nB H\n2 6\ndirect\n0.666185 0.750000 0.333067 B\n0.333815 0.250000 0.666933 B\n0.374300 0.750000 0.056389 H\n0.943414 0.750000 0.317522 H\n0.317485 0.250000 0.373909 H\n0.682515 0.750000 0.626091 H\n0.056586 0.250000 0.682478 H\n0.625700 0.250000 0.943611 H\n","nsites":8,"nelements":2,"elements":["B","H"],"chemical_system":"B-H","density":0.6824456275499109,"density_atomic":0.11882434701925577,"volume":67.32626941096154,"volume_molar":5.068103390481159,"formula_full":"B2 H6","formula_reduced":"BH3","formula_anonymous":"AB3","formation_energy":0.2430245508618687,"spacegroup":176},{"id":"oqmd-1214975","created_at":"2022-09-04T15:39:03.632294Z","updated_at":"2022-09-04T15:39:03.632314Z","structure_string":"He8\n1.0\n4.270217 0.000000 0.000000\n0.000000 4.270217 0.000000\n0.000000 0.000000 4.270217\nHe\n8\ndirect\n0.000000 0.000000 0.000000 He\n0.500000 0.249999 0.000000 He\n0.500000 0.749999 0.000000 He\n0.000000 0.500000 0.249999 He\n0.249999 0.000000 0.500000 He\n0.749999 0.000000 0.500000 He\n0.500000 0.500000 0.500000 He\n0.000000 0.500000 0.749999 He\n","nsites":8,"nelements":1,"elements":["He"],"chemical_system":"He","density":0.6828599736964199,"density_atomic":0.10274013959896222,"volume":77.86635322112029,"volume_molar":5.861526744568322,"formula_full":"He8","formula_reduced":"He","formula_anonymous":"A","formation_energy":0.0403973225,"spacegroup":223}]}