{"count":1013513,"next":"https://simmate.org/third-parties/OqmdStructure/?format=json&ordering=density&page=5","previous":"https://simmate.org/third-parties/OqmdStructure/?format=json&ordering=density&page=3","results":[{"id":"oqmd-1214885","created_at":"2022-09-04T15:39:05.802705Z","updated_at":"2022-09-04T15:39:05.802729Z","structure_string":"H20\n1.0\n4.259826 -0.005146 -0.005146\n-0.005146 4.259826 -0.005146\n-0.005146 -0.005146 4.259826\nH\n20\ndirect\n0.270626 0.124984 0.020786 H\n0.425550 0.574517 0.074542 H\n0.020786 0.270626 0.124984 H\n0.324520 0.675512 0.175523 H\n0.874986 0.520785 0.229217 H\n0.124984 0.020786 0.270626 H\n0.675512 0.175523 0.324520 H\n0.979356 0.770595 0.374967 H\n0.574517 0.074542 0.425550 H\n0.729181 0.624971 0.479367 H\n0.229217 0.874986 0.520785 H\n0.074542 0.425550 0.574517 H\n0.479367 0.729181 0.624971 H\n0.175523 0.324520 0.675512 H\n0.624971 0.479367 0.729181 H\n0.374967 0.979356 0.770595 H\n0.824594 0.824594 0.824594 H\n0.520785 0.229217 0.874986 H\n0.925426 0.925426 0.925426 H\n0.770595 0.374967 0.979356 H\n","nsites":20,"nelements":1,"elements":["H"],"chemical_system":"H","density":0.43305204781770484,"density_atomic":0.25873567764606065,"volume":77.2989646497811,"volume_molar":2.3275262286162297,"formula_full":"H20","formula_reduced":"H","formula_anonymous":"A","formation_energy":0.5271792235,"spacegroup":213},{"id":"oqmd-1241621","created_at":"2022-09-04T15:41:26.131366Z","updated_at":"2022-09-04T15:41:26.131392Z","structure_string":"Rb2 B4\n1.0\n0.000000 7.414619 7.414619\n7.414619 0.000000 7.414619\n7.414619 7.414619 0.000000\nB Rb\n4 2\ndirect\n0.625000 0.625000 0.125001 B\n0.625000 0.125001 0.625000 B\n0.125001 0.625000 0.625000 B\n0.625000 0.625000 0.625000 B\n0.500000 0.500000 0.500000 Rb\n0.750000 0.750000 0.750000 Rb\n","nsites":6,"nelements":2,"elements":["B","Rb"],"chemical_system":"B-Rb","density":0.4362452244176163,"density_atomic":0.007359608893363946,"volume":815.2607138417524,"volume_molar":81.82691291421857,"formula_full":"Rb2 B4","formula_reduced":"RbB2","formula_anonymous":"AB2","formation_energy":3.82647537166667,"spacegroup":227},{"id":"oqmd-1241534","created_at":"2022-09-04T15:41:08.623938Z","updated_at":"2022-09-04T15:41:08.623968Z","structure_string":"Li4 H2\n1.0\n0.000000 3.836154 3.836154\n3.836154 0.000000 3.836154\n3.836154 3.836154 0.000000\nH Li\n2 4\ndirect\n0.000000 0.000000 0.000000 H\n0.250000 0.250000 0.250000 H\n0.125000 0.125000 0.125000 Li\n0.625000 0.125000 0.125000 Li\n0.125000 0.625000 0.125000 Li\n0.125000 0.125000 0.625000 Li\n","nsites":6,"nelements":2,"elements":["H","Li"],"chemical_system":"H-Li","density":0.4379796631286926,"density_atomic":0.053141419957834446,"volume":112.90627922175877,"volume_molar":11.332291769354908,"formula_full":"Li4 H2","formula_reduced":"Li2H","formula_anonymous":"AB2","formation_energy":0.010915547605275,"spacegroup":227},{"id":"oqmd-1237699","created_at":"2022-09-04T15:40:43.852367Z","updated_at":"2022-09-04T15:40:43.852395Z","structure_string":"Na2 Al4\n1.0\n4.680912 2.702526 7.643897\n-4.680912 2.702526 7.643897\n0.000000 -5.405051 7.643897\nAl Na\n4 2\ndirect\n0.625000 0.625000 0.125002 Al\n0.625000 0.125002 0.625000 Al\n0.125002 0.625000 0.625000 Al\n0.625000 0.625000 0.625000 Al\n0.500000 0.500000 0.500000 Na\n0.750001 0.750001 0.750001 Na\n","nsites":6,"nelements":2,"elements":["Al","Na"],"chemical_system":"Al-Na","density":0.4404913672221108,"density_atomic":0.0103415317531466,"volume":580.1848452647637,"volume_molar":58.2325800833871,"formula_full":"Na2 Al4","formula_reduced":"NaAl2","formula_anonymous":"AB2","formation_energy":1.74199697138278,"spacegroup":227},{"id":"oqmd-1237434","created_at":"2022-09-04T15:40:41.943943Z","updated_at":"2022-09-04T15:40:41.943963Z","structure_string":"K4 Si2\n1.0\n0.000000 7.357407 7.357407\n7.357407 0.000000 7.357407\n7.357407 7.357407 0.000000\nK Si\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 Si\n0.750000 0.750000 0.750000 Si\n","nsites":6,"nelements":2,"elements":["K","Si"],"chemical_system":"K-Si","density":0.44313380384650136,"density_atomic":0.007532634780080776,"volume":796.534038244671,"volume_molar":79.94733497401053,"formula_full":"K4 Si2","formula_reduced":"K2Si","formula_anonymous":"AB2","formation_energy":0.82345057,"spacegroup":227},{"id":"oqmd-1215776","created_at":"2022-09-04T15:39:06.208305Z","updated_at":"2022-09-04T15:39:06.208341Z","structure_string":"H2\n1.0\n1.000409 -1.732759 -0.000000\n-1.000409 -1.732759 -0.000000\n0.000000 1.155173 -2.162059\nH\n2\ndirect\n0.166315 0.166315 0.498946 H\n0.833682 0.833682 0.501050 H\n","nsites":2,"nelements":1,"elements":["H"],"chemical_system":"H","density":0.4465812483653632,"density_atomic":0.26681897130405857,"volume":7.49571887720406,"volume_molar":2.2570137087956,"formula_full":"H2","formula_reduced":"H","formula_anonymous":"A","formation_energy":0.559757925,"spacegroup":166},{"id":"oqmd-1215510","created_at":"2022-09-04T15:39:04.918234Z","updated_at":"2022-09-04T15:39:04.918258Z","structure_string":"He2\n1.0\n0.000000 2.458169 -2.458169\n2.458169 0.000000 2.458169\n0.000000 -2.458169 -2.458169\nHe\n2\ndirect\n0.000000 0.000000 0.000000 He\n0.249999 0.499998 0.749997 He\n","nsites":2,"nelements":1,"elements":["He"],"chemical_system":"He","density":0.4474621376755682,"density_atomic":0.06732320572427623,"volume":29.707438593923275,"volume_molar":8.945118841583122,"formula_full":"He2","formula_reduced":"He","formula_anonymous":"A","formation_energy":0.04730488,"spacegroup":227},{"id":"oqmd-1239366","created_at":"2022-09-04T15:40:49.465782Z","updated_at":"2022-09-04T15:40:49.465804Z","structure_string":"Li2 B4\n1.0\n3.333571 1.924638 5.443699\n-3.333571 1.924638 5.443699\n0.000000 -3.849276 5.443699\nB Li\n4 2\ndirect\n0.875000 0.875000 0.375000 B\n0.875000 0.375000 0.875000 B\n0.375000 0.875000 0.875000 B\n0.875000 0.875000 0.875000 B\n0.000000 0.000000 0.000000 Li\n0.750000 0.750000 0.750000 Li\n","nsites":6,"nelements":2,"elements":["B","Li"],"chemical_system":"B-Li","density":0.45266695658989,"density_atomic":0.02863169972615464,"volume":209.5579395350772,"volume_molar":21.033123487596733,"formula_full":"Li2 B4","formula_reduced":"LiB2","formula_anonymous":"AB2","formation_energy":3.19156654166667,"spacegroup":227},{"id":"oqmd-1236705","created_at":"2022-09-04T15:40:28.536561Z","updated_at":"2022-09-04T15:40:28.536577Z","structure_string":"Cs4 K2\n1.0\n7.331552 4.232874 11.972375\n-7.331552 4.232874 11.972375\n0.000000 -8.465747 11.972375\nCs K\n4 2\ndirect\n0.374999 0.374999 0.374999 Cs\n0.875000 0.374999 0.374999 Cs\n0.374999 0.875000 0.374999 Cs\n0.374999 0.374999 0.875000 Cs\n0.250000 0.250000 0.250000 K\n0.500000 0.500000 0.500000 K\n","nsites":6,"nelements":2,"elements":["Cs","K"],"chemical_system":"Cs-K","density":0.45424153128353295,"density_atomic":0.0026914633018100234,"volume":2229.270596394522,"volume_molar":223.7496887269493,"formula_full":"Cs4 K2","formula_reduced":"Cs2K","formula_anonymous":"AB2","formation_energy":0.377227581666667,"spacegroup":227},{"id":"oqmd-1215954","created_at":"2022-09-04T15:39:05.683279Z","updated_at":"2022-09-04T15:39:05.683316Z","structure_string":"H4\n1.0\n1.993771 0.000000 0.000000\n-0.996886 1.726657 0.000000\n0.000000 0.000000 4.269607\nH\n4\ndirect\n0.000000 0.000000 0.249997 H\n0.333335 0.666670 0.249997 H\n0.000000 0.000000 0.749999 H\n0.666668 0.333332 0.749999 H\n","nsites":4,"nelements":1,"elements":["H"],"chemical_system":"H","density":0.4554854611097167,"density_atomic":0.2721389727448202,"volume":14.698372525094845,"volume_molar":2.212891707225945,"formula_full":"H4","formula_reduced":"H","formula_anonymous":"A","formation_energy":0.5635327425,"spacegroup":194},{"id":"oqmd-1240133","created_at":"2022-09-04T15:40:52.030758Z","updated_at":"2022-09-04T15:40:52.030772Z","structure_string":"K2 V4\n1.0\n5.654743 3.264767 9.234156\n-5.654743 3.264767 9.234156\n0.000000 -6.529535 9.234156\nK V\n2 4\ndirect\n0.249999 0.249999 0.249999 K\n0.500000 0.500000 0.500000 K\n0.375000 0.375000 0.375000 V\n0.875001 0.375000 0.375000 V\n0.375000 0.875001 0.375000 V\n0.375000 0.375000 0.875001 V\n","nsites":6,"nelements":2,"elements":["K","V"],"chemical_system":"K-V","density":0.45774861457490923,"density_atomic":0.005865940923975851,"volume":1022.8538060238911,"volume_molar":102.66282661296016,"formula_full":"K2 V4","formula_reduced":"KV2","formula_anonymous":"AB2","formation_energy":3.32318720666667,"spacegroup":227},{"id":"oqmd-1240606","created_at":"2022-09-04T15:40:54.043738Z","updated_at":"2022-09-04T15:40:54.043753Z","structure_string":"K4 Zr2\n1.0\n0.000000 8.468204 8.468204\n8.468204 0.000000 8.468204\n8.468204 8.468204 0.000000\nK Zr\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 Zr\n0.750000 0.750000 0.750000 Zr\n","nsites":6,"nelements":2,"elements":["K","Zr"],"chemical_system":"K-Zr","density":0.46327768086950066,"density_atomic":0.0049402317182089366,"volume":1214.5179299758188,"volume_molar":121.89996549763676,"formula_full":"K4 Zr2","formula_reduced":"K2Zr","formula_anonymous":"AB2","formation_energy":2.16848790333333,"spacegroup":227}]}