{"count":1013513,"next":"https://simmate.org/third-parties/OqmdStructure/?format=json&ordering=density&page=33","previous":"https://simmate.org/third-parties/OqmdStructure/?format=json&ordering=density&page=31","results":[{"id":"oqmd-1472265","created_at":"2022-09-04T15:51:40.148910Z","updated_at":"2022-09-04T15:51:40.148939Z","structure_string":"Cs1 Li8\n1.0\n8.630784 0.000000 0.000000\n-4.315392 7.474478 0.000000\n0.000000 0.000000 5.825168\nCs Li\n1 8\ndirect\n0.000000 0.000000 0.500000 Cs\n0.338013 0.169006 0.000000 Li\n0.830994 0.169006 0.000000 Li\n0.666667 0.333333 0.000000 Li\n0.169006 0.338013 0.000000 Li\n0.830994 0.661987 0.000000 Li\n0.333333 0.666667 0.000000 Li\n0.169006 0.830994 0.000000 Li\n0.661987 0.830994 0.000000 Li\n","nsites":9,"nelements":2,"elements":["Cs","Li"],"chemical_system":"Cs-Li","density":0.8326596711414735,"density_atomic":0.023949857768698648,"volume":375.7851126682924,"volume_molar":25.144787155565737,"formula_full":"Cs1 Li8","formula_reduced":"CsLi8","formula_anonymous":"AB8","formation_energy":0.6778332855555553,"spacegroup":191},{"id":"oqmd-1241016","created_at":"2022-09-04T15:40:56.158442Z","updated_at":"2022-09-04T15:40:56.158464Z","structure_string":"Rb4 P2\n1.0\n5.220228 3.013900 8.524597\n-5.220228 3.013900 8.524597\n0.000000 -6.027801 8.524597\nP Rb\n2 4\ndirect\n0.500000 0.500000 0.500000 P\n0.750000 0.750000 0.750000 P\n0.624999 0.624999 0.125001 Rb\n0.624999 0.125001 0.624999 Rb\n0.125001 0.624999 0.624999 Rb\n0.624999 0.624999 0.624999 Rb\n","nsites":6,"nelements":2,"elements":["P","Rb"],"chemical_system":"P-Rb","density":0.8332821601117484,"density_atomic":0.007456032369698592,"volume":804.7175364184408,"volume_molar":80.76870460587126,"formula_full":"Rb4 P2","formula_reduced":"Rb2P","formula_anonymous":"AB2","formation_energy":0.194942368680021,"spacegroup":227},{"id":"oqmd-117082","created_at":"2022-09-04T15:16:18.965917Z","updated_at":"2022-09-04T15:16:18.965949Z","structure_string":"B2 H12 N2\n1.0\n5.008385 0.000000 0.000000\n0.000000 4.677510 0.000000\n0.000000 0.000000 5.248336\nB H N\n2 12 2\ndirect\n0.000000 0.175844 0.006795 B\n0.500001 0.824156 0.506795 B\n0.000000 0.449902 0.346919 H\n0.166603 0.145870 0.388394 H\n0.833396 0.145870 0.388394 H\n0.298985 0.722654 0.412096 H\n0.701014 0.722654 0.412096 H\n0.500001 0.085751 0.479779 H\n0.500001 0.550098 0.846920 H\n0.333395 0.854132 0.888396 H\n0.666604 0.854132 0.888396 H\n0.201013 0.277346 0.912097 H\n0.798986 0.277346 0.912097 H\n0.000000 0.914249 0.979777 H\n0.000000 0.235022 0.303525 N\n0.500001 0.764978 0.803527 N\n","nsites":16,"nelements":3,"elements":["B","H","N"],"chemical_system":"B-H-N","density":0.833712084829089,"density_atomic":0.13013254426846144,"volume":122.95156519027437,"volume_molar":4.627697701488428,"formula_full":"B2 H12 N2","formula_reduced":"BH6N","formula_anonymous":"ABC6","formation_energy":-0.31135819480607,"spacegroup":31},{"id":"oqmd-1239463","created_at":"2022-09-04T15:40:49.919087Z","updated_at":"2022-09-04T15:40:49.919107Z","structure_string":"K4 O2\n1.0\n4.046742 2.336388 6.608302\n-4.046742 2.336388 6.608302\n0.000000 -4.672775 6.608302\nK O\n4 2\ndirect\n0.625000 0.625000 0.124998 K\n0.625000 0.124998 0.625000 K\n0.124998 0.625000 0.625000 K\n0.625000 0.625000 0.625000 K\n0.500000 0.500000 0.500000 O\n0.750000 0.750000 0.750000 O\n","nsites":6,"nelements":2,"elements":["K","O"],"chemical_system":"K-O","density":0.8344878154990576,"density_atomic":0.016005148060990616,"volume":374.87938113011364,"volume_molar":37.62627335312054,"formula_full":"K4 O2","formula_reduced":"K2O","formula_anonymous":"AB2","formation_energy":-0.962114516959585,"spacegroup":227},{"id":"oqmd-1238162","created_at":"2022-09-04T15:40:44.705144Z","updated_at":"2022-09-04T15:40:44.705158Z","structure_string":"Be2 Al4\n1.0\n3.537176 2.042190 5.776184\n-3.537176 2.042190 5.776184\n0.000000 -4.084379 5.776184\nAl Be\n4 2\ndirect\n0.374999 0.374999 0.374999 Al\n0.874999 0.374999 0.374999 Al\n0.374999 0.874999 0.374999 Al\n0.374999 0.374999 0.874999 Al\n0.250000 0.250000 0.250000 Be\n0.500000 0.500000 0.500000 Be\n","nsites":6,"nelements":2,"elements":["Al","Be"],"chemical_system":"Al-Be","density":0.8354184132849856,"density_atomic":0.02396658946996432,"volume":250.34851151931264,"volume_molar":25.12723292376304,"formula_full":"Be2 Al4","formula_reduced":"BeAl2","formula_anonymous":"AB2","formation_energy":1.060511555,"spacegroup":227},{"id":"oqmd-1238666","created_at":"2022-09-04T15:40:46.794489Z","updated_at":"2022-09-04T15:40:46.794518Z","structure_string":"Sc2 C4\n1.0\n3.644374 2.104080 5.951238\n-3.644374 2.104080 5.951238\n0.000000 -4.208161 5.951238\nC Sc\n4 2\ndirect\n0.625001 0.625001 0.125001 C\n0.625001 0.125001 0.625001 C\n0.125001 0.625001 0.625001 C\n0.625001 0.625001 0.625001 C\n0.500000 0.500000 0.500000 Sc\n0.749999 0.749999 0.749999 Sc\n","nsites":6,"nelements":2,"elements":["C","Sc"],"chemical_system":"C-Sc","density":0.8366456040391742,"density_atomic":0.02191328184331231,"volume":273.8065454048424,"volume_molar":27.48169262395487,"formula_full":"Sc2 C4","formula_reduced":"ScC2","formula_anonymous":"AB2","formation_energy":2.9806224,"spacegroup":227},{"id":"oqmd-21610","created_at":"2022-09-04T15:03:00.064329Z","updated_at":"2022-09-04T15:03:00.064340Z","structure_string":"Li16 Be8 H32\n1.0\n6.696468 0.000000 0.070020\n0.000000 8.065734 0.000000\n-0.410867 0.000000 7.901985\nBe H Li\n8 32 16\ndirect\n0.481004 0.204502 0.066366 Be\n0.966824 0.427852 0.198748 Be\n0.033176 0.927851 0.301253 Be\n0.518995 0.704503 0.433634 Be\n0.481004 0.295498 0.566365 Be\n0.966824 0.072148 0.698749 Be\n0.033177 0.572149 0.801253 Be\n0.518996 0.795497 0.933635 Be\n0.343547 0.795721 0.027919 H\n0.667618 0.880589 0.032907 H\n0.437457 0.375190 0.087882 H\n0.028375 0.906500 0.122481 H\n0.026450 0.277176 0.123953 H\n0.776168 0.491560 0.149774 H\n0.096960 0.563554 0.173558 H\n0.533492 0.132800 0.225506 H\n0.466506 0.632800 0.274494 H\n0.903041 0.063554 0.326442 H\n0.223832 0.991559 0.350227 H\n0.973550 0.777175 0.376045 H\n0.971626 0.406501 0.377520 H\n0.562542 0.875190 0.412117 H\n0.332383 0.380589 0.467092 H\n0.656452 0.295720 0.472082 H\n0.343547 0.704281 0.527919 H\n0.667617 0.619412 0.532908 H\n0.437458 0.124811 0.587883 H\n0.028376 0.593500 0.622481 H\n0.026450 0.222824 0.623954 H\n0.776167 0.008441 0.649774 H\n0.096959 0.936445 0.673557 H\n0.533493 0.367200 0.725506 H\n0.466506 0.867201 0.774495 H\n0.903041 0.436445 0.826442 H\n0.223833 0.508440 0.850227 H\n0.973550 0.722824 0.876046 H\n0.971625 0.093499 0.877520 H\n0.562543 0.624810 0.912118 H\n0.332384 0.119411 0.967092 H\n0.656453 0.204280 0.972082 H\n0.318926 0.576174 0.059666 Li\n0.845514 0.090784 0.090283 Li\n0.869947 0.714119 0.095195 Li\n0.423350 0.922136 0.205300 Li\n0.576649 0.422135 0.294700 Li\n0.130054 0.214118 0.404805 Li\n0.154487 0.590784 0.409716 Li\n0.681074 0.076174 0.440335 Li\n0.318926 0.923825 0.559666 Li\n0.845514 0.409214 0.590284 Li\n0.869946 0.785881 0.595194 Li\n0.423351 0.577864 0.705300 Li\n0.576650 0.077864 0.794699 Li\n0.130054 0.285882 0.904806 Li\n0.154486 0.909214 0.909716 Li\n0.681074 0.423825 0.940335 Li\n","nsites":56,"nelements":3,"elements":["Be","H","Li"],"chemical_system":"Be-H-Li","density":0.8376219399443142,"density_atomic":0.13113725266980392,"volume":427.03350009173056,"volume_molar":4.592242583549775,"formula_full":"Li16 Be8 H32","formula_reduced":"Li2BeH4","formula_anonymous":"AB2C4","formation_energy":-0.299368425355243,"spacegroup":14},{"id":"oqmd-1239566","created_at":"2022-09-04T15:40:50.269248Z","updated_at":"2022-09-04T15:40:50.269279Z","structure_string":"Al2 Si4\n1.0\n3.876845 2.238297 6.330861\n-3.876845 2.238297 6.330861\n0.000000 -4.476595 6.330861\nAl Si\n2 4\ndirect\n0.250000 0.250000 0.250000 Al\n0.500001 0.500001 0.500001 Al\n0.375001 0.375001 0.375001 Si\n0.875000 0.375001 0.375001 Si\n0.375001 0.875000 0.375001 Si\n0.375001 0.375001 0.875000 Si\n","nsites":6,"nelements":2,"elements":["Al","Si"],"chemical_system":"Al-Si","density":0.8378077276837315,"density_atomic":0.018202917743526694,"volume":329.6174868522776,"volume_molar":33.08338171303108,"formula_full":"Al2 Si4","formula_reduced":"AlSi2","formula_anonymous":"AB2","formation_energy":1.64356689666667,"spacegroup":227},{"id":"oqmd-20594","created_at":"2022-09-04T15:02:59.470569Z","updated_at":"2022-09-04T15:02:59.470596Z","structure_string":"Li6 Be6 H18\n1.0\n0.000000 5.655982 0.000000\n-4.919988 2.827992 0.000000\n0.000000 0.000000 8.106465\nBe H Li\n6 18 6\ndirect\n0.083816 0.000000 0.250000 Be\n0.587517 0.247251 0.250000 Be\n0.834767 0.752748 0.250000 Be\n0.916184 0.000000 0.750000 Be\n0.165233 0.247251 0.750000 Be\n0.412483 0.752748 0.750000 Be\n0.194442 0.000000 0.094775 H\n0.474559 0.359889 0.097462 H\n0.834446 0.640111 0.097462 H\n0.582629 0.000000 0.250000 H\n0.835962 0.251724 0.250000 H\n0.087686 0.748276 0.250000 H\n0.474559 0.359889 0.402538 H\n0.834446 0.640111 0.402538 H\n0.194442 0.000000 0.405225 H\n0.805559 0.000000 0.594775 H\n0.165553 0.359889 0.597461 H\n0.525440 0.640111 0.597461 H\n0.417370 0.000000 0.750000 H\n0.912315 0.251724 0.750000 H\n0.164037 0.748276 0.750000 H\n0.165553 0.359889 0.902539 H\n0.525440 0.640111 0.902539 H\n0.805559 0.000000 0.905224 H\n0.500000 0.000000 0.000000 Li\n0.828817 0.342365 0.000000 Li\n0.171183 0.657634 0.000000 Li\n0.500000 0.000000 0.500000 Li\n0.828817 0.342365 0.500000 Li\n0.171183 0.657634 0.500000 Li\n","nsites":30,"nelements":3,"elements":["Be","H","Li"],"chemical_system":"Be-H-Li","density":0.8381550713112116,"density_atomic":0.13298960025108966,"volume":225.5815488080181,"volume_molar":4.5282794659356504,"formula_full":"Li6 Be6 H18","formula_reduced":"LiBeH3","formula_anonymous":"ABC3","formation_energy":-0.216133779977172,"spacegroup":63},{"id":"oqmd-1435555","created_at":"2022-09-04T15:49:13.394969Z","updated_at":"2022-09-04T15:49:13.394995Z","structure_string":"Li8 B2\n1.0\n4.138207 0.000000 0.000000\n0.000000 4.138207 0.000000\n0.000000 0.000000 8.908232\nB Li\n2 8\ndirect\n0.000000 0.499999 0.189544 B\n0.499999 0.000000 0.810456 B\n0.000000 0.000000 0.000000 Li\n0.499999 0.499999 0.000000 Li\n0.000000 0.000000 0.280005 Li\n0.499999 0.499999 0.280005 Li\n0.000000 0.499999 0.480952 Li\n0.499999 0.000000 0.519048 Li\n0.000000 0.000000 0.719995 Li\n0.499999 0.499999 0.719995 Li\n","nsites":10,"nelements":2,"elements":["B","Li"],"chemical_system":"B-Li","density":0.8397868829057921,"density_atomic":0.06555171508759583,"volume":152.55130985721948,"volume_molar":9.186854610825513,"formula_full":"Li8 B2","formula_reduced":"Li4B","formula_anonymous":"AB4","formation_energy":0.401702852,"spacegroup":129},{"id":"oqmd-1239931","created_at":"2022-09-04T15:40:51.728204Z","updated_at":"2022-09-04T15:40:51.728221Z","structure_string":"Rb2 Se4\n1.0\n5.539528 3.198248 9.046012\n-5.539528 3.198248 9.046012\n0.000000 -6.396496 9.046012\nRb Se\n2 4\ndirect\n0.500001 0.500001 0.500001 Rb\n0.750000 0.750000 0.750000 Rb\n0.625000 0.625000 0.125000 Se\n0.625000 0.125000 0.625000 Se\n0.125000 0.625000 0.625000 Se\n0.625000 0.625000 0.625000 Se\n","nsites":6,"nelements":2,"elements":["Rb","Se"],"chemical_system":"Rb-Se","density":0.8405907167168416,"density_atomic":0.006239617128756017,"volume":961.5974628232054,"volume_molar":96.51458792633684,"formula_full":"Rb2 Se4","formula_reduced":"RbSe2","formula_anonymous":"AB2","formation_energy":0.930684538333334,"spacegroup":227},{"id":"oqmd-1237913","created_at":"2022-09-04T15:40:43.473990Z","updated_at":"2022-09-04T15:40:43.474016Z","structure_string":"Cs4 Al2\n1.0\n0.000000 8.329599 8.329599\n8.329599 0.000000 8.329599\n8.329599 8.329599 0.000000\nAl Cs\n2 4\ndirect\n0.500000 0.500000 0.500000 Al\n0.750000 0.750000 0.750000 Al\n0.625000 0.625000 0.125000 Cs\n0.625000 0.125000 0.625000 Cs\n0.125000 0.625000 0.625000 Cs\n0.625000 0.625000 0.625000 Cs\n","nsites":6,"nelements":2,"elements":["Al","Cs"],"chemical_system":"Al-Cs","density":0.8412724697314894,"density_atomic":0.005190975412950064,"volume":1155.852132343305,"volume_molar":116.01173731195885,"formula_full":"Cs4 Al2","formula_reduced":"Cs2Al","formula_anonymous":"AB2","formation_energy":0.718357675,"spacegroup":227}]}