{"count":1013513,"next":"https://simmate.org/third-parties/OqmdStructure/?format=json&ordering=-chemical_system&page=5","previous":"https://simmate.org/third-parties/OqmdStructure/?format=json&ordering=-chemical_system&page=3","results":[{"id":"oqmd-1214589","created_at":"2022-09-04T15:39:04.980827Z","updated_at":"2022-09-04T15:39:04.980854Z","structure_string":"Zr1\n1.0\n0.000000 2.262808 -2.262808\n2.262808 0.000000 2.262808\n0.000000 -2.262808 -2.262808\nZr\n1\ndirect\n0.000000 0.000000 0.000000 Zr\n","nsites":1,"nelements":1,"elements":["Zr"],"chemical_system":"Zr","density":6.537099519797658,"density_atomic":0.0431545793694142,"volume":23.172511807837243,"volume_molar":13.954812786955797,"formula_full":"Zr1","formula_reduced":"Zr","formula_anonymous":"A","formation_energy":0.0397379900000008,"spacegroup":225},{"id":"oqmd-758448","created_at":"2022-09-04T15:21:51.213819Z","updated_at":"2022-09-04T15:21:51.213846Z","structure_string":"Zr4\n1.0\n0.000000 -3.225008 0.000000\n-5.585671 0.000000 0.000000\n0.000000 0.000000 -5.186664\nZr\n4\ndirect\n0.000000 0.000000 0.000000 Zr\n0.499999 0.500024 0.000000 Zr\n0.499999 0.166650 0.500000 Zr\n0.000000 0.666647 0.500000 Zr\n","nsites":4,"nelements":1,"elements":["Zr"],"chemical_system":"Zr","density":6.485208411281639,"density_atomic":0.042812020876272165,"volume":93.43170254821892,"volume_molar":14.066471604795625,"formula_full":"Zr4","formula_reduced":"Zr","formula_anonymous":"A","formation_energy":0.0004202250000009,"spacegroup":194},{"id":"oqmd-758455","created_at":"2022-09-04T15:21:51.098696Z","updated_at":"2022-09-04T15:21:51.098723Z","structure_string":"Zr4\n1.0\n0.000000 -3.231190 0.000000\n-5.596610 0.000000 0.000000\n0.000000 0.000000 -5.185469\nZr\n4\ndirect\n0.000000 0.000000 0.000000 Zr\n0.500001 0.500022 0.000000 Zr\n0.500001 0.166640 0.499999 Zr\n0.000000 0.666632 0.499999 Zr\n","nsites":4,"nelements":1,"elements":["Zr"],"chemical_system":"Zr","density":6.461637906073567,"density_atomic":0.04265642048580871,"volume":93.77251898880621,"volume_molar":14.117782719259097,"formula_full":"Zr4","formula_reduced":"Zr","formula_anonymous":"A","formation_energy":7.6027500000464e-05,"spacegroup":194},{"id":"oqmd-67408","created_at":"2022-09-04T15:15:51.306190Z","updated_at":"2022-09-04T15:15:51.306218Z","structure_string":"Zr2\n1.0\n3.235323 0.000000 0.000000\n-1.617662 2.801816 0.000000\n0.000000 0.000000 5.173023\nZr\n2\ndirect\n0.333302 0.666603 0.250001 Zr\n0.666697 0.333394 0.750001 Zr\n","nsites":2,"nelements":1,"elements":["Zr"],"chemical_system":"Zr","density":6.460803594692525,"density_atomic":0.04265091278983393,"volume":46.89231411893043,"volume_molar":14.119605809316722,"formula_full":"Zr2","formula_reduced":"Zr","formula_anonymous":"A","formation_energy":0.0,"spacegroup":194},{"id":"oqmd-758473","created_at":"2022-09-04T15:24:20.952705Z","updated_at":"2022-09-04T15:24:20.952732Z","structure_string":"Zr12\n1.0\n8.374929 -1.611832 0.000000\n0.000114 6.447911 0.000000\n0.000000 0.000000 5.189590\nZr\n12\ndirect\n0.000000 0.000000 0.000000 Zr\n0.666642 0.166670 0.000000 Zr\n0.333301 0.333357 0.000000 Zr\n0.000000 0.500000 0.000000 Zr\n0.666641 0.666674 0.000000 Zr\n0.333304 0.833354 0.000000 Zr\n0.222238 0.055551 0.499999 Zr\n0.888905 0.222200 0.499999 Zr\n0.555571 0.388879 0.499999 Zr\n0.222237 0.555553 0.499999 Zr\n0.888904 0.722197 0.499999 Zr\n0.555570 0.888879 0.499999 Zr\n","nsites":12,"nelements":1,"elements":["Zr"],"chemical_system":"Zr","density":6.486415439648524,"density_atomic":0.04281998905869039,"volume":280.24294876751213,"volume_molar":14.063854037295224,"formula_full":"Zr12","formula_reduced":"Zr","formula_anonymous":"A","formation_energy":0.0005208000000003,"spacegroup":194},{"id":"oqmd-758452","created_at":"2022-09-04T15:24:21.501791Z","updated_at":"2022-09-04T15:24:21.501824Z","structure_string":"Zr12\n1.0\n8.374929 -1.611832 0.000000\n0.000114 6.447911 0.000000\n0.000000 0.000000 5.189590\nZr\n12\ndirect\n0.000000 0.000000 0.000000 Zr\n0.666642 0.166670 0.000000 Zr\n0.333301 0.333357 0.000000 Zr\n0.000000 0.500000 0.000000 Zr\n0.666641 0.666674 0.000000 Zr\n0.333304 0.833354 0.000000 Zr\n0.222238 0.055551 0.499999 Zr\n0.888905 0.222200 0.499999 Zr\n0.555571 0.388879 0.499999 Zr\n0.222237 0.555553 0.499999 Zr\n0.888904 0.722197 0.499999 Zr\n0.555570 0.888879 0.499999 Zr\n","nsites":12,"nelements":1,"elements":["Zr"],"chemical_system":"Zr","density":6.486415439648524,"density_atomic":0.04281998905869039,"volume":280.24294876751213,"volume_molar":14.063854037295224,"formula_full":"Zr12","formula_reduced":"Zr","formula_anonymous":"A","formation_energy":0.0005208000000003,"spacegroup":194},{"id":"oqmd-1215925","created_at":"2022-09-04T15:39:06.305589Z","updated_at":"2022-09-04T15:39:06.305614Z","structure_string":"Zr3\n1.0\n5.030012 0.000000 0.000000\n-2.515005 4.356117 0.000000\n0.000000 0.000000 3.122039\nZr\n3\ndirect\n0.667162 0.667161 0.000000 Zr\n0.332838 0.000000 0.333333 Zr\n0.000000 0.332840 0.666667 Zr\n","nsites":3,"nelements":1,"elements":["Zr"],"chemical_system":"Zr","density":6.643127419884618,"density_atomic":0.04385452120383447,"volume":68.40799802729785,"volume_molar":13.73208644100633,"formula_full":"Zr3","formula_reduced":"Zr","formula_anonymous":"A","formation_energy":0.0803352033333304,"spacegroup":229},{"id":"oqmd-758474","created_at":"2022-09-04T15:21:49.771754Z","updated_at":"2022-09-04T15:21:49.771783Z","structure_string":"Zr2\n1.0\n2.792932 1.612499 0.000000\n-2.792932 1.612499 0.000000\n0.000000 0.000000 5.181830\nZr\n2\ndirect\n0.000000 0.000000 0.000000 Zr\n0.333333 0.666667 0.499999 Zr\n","nsites":2,"nelements":1,"elements":["Zr"],"chemical_system":"Zr","density":6.491054145017599,"density_atomic":0.04285061141320937,"volume":46.673779767433345,"volume_molar":14.053803578036183,"formula_full":"Zr2","formula_reduced":"Zr","formula_anonymous":"A","formation_energy":0.0003152550000002,"spacegroup":194},{"id":"oqmd-1277957","created_at":"2022-09-04T15:42:08.087635Z","updated_at":"2022-09-04T15:42:08.087665Z","structure_string":"Zr28\n1.0\n6.889807 -6.889807 0.000000\n6.889807 6.889807 0.000000\n-6.889807 0.000000 6.889807\nZr\n28\ndirect\n0.000000 0.000000 0.000000 Zr\n0.707546 0.062746 0.000000 Zr\n0.437253 0.207545 0.000000 Zr\n0.937254 0.292454 0.000000 Zr\n0.207545 0.437253 0.000000 Zr\n0.500000 0.500000 0.000000 Zr\n0.792454 0.562746 0.000000 Zr\n0.062746 0.707546 0.000000 Zr\n0.562746 0.792454 0.000000 Zr\n0.292454 0.937254 0.000000 Zr\n0.292454 0.292454 0.229708 Zr\n0.792455 0.437254 0.229708 Zr\n0.437254 0.792455 0.229708 Zr\n0.937254 0.937254 0.229708 Zr\n0.292453 0.062746 0.355200 Zr\n0.062746 0.292453 0.355200 Zr\n0.562746 0.562746 0.355200 Zr\n0.792454 0.792454 0.355200 Zr\n0.750000 0.249999 0.500000 Zr\n0.249999 0.750000 0.500000 Zr\n0.207545 0.207545 0.644799 Zr\n0.437254 0.437254 0.644799 Zr\n0.937253 0.707546 0.644799 Zr\n0.707546 0.937253 0.644799 Zr\n0.062747 0.062747 0.770293 Zr\n0.562746 0.207545 0.770293 Zr\n0.207545 0.562746 0.770293 Zr\n0.707546 0.707546 0.770293 Zr\n","nsites":28,"nelements":1,"elements":["Zr"],"chemical_system":"Zr","density":6.4843294967099165,"density_atomic":0.04280621873290117,"volume":654.1105668480593,"volume_molar":14.068378236294295,"formula_full":"Zr28","formula_reduced":"Zr","formula_anonymous":"A","formation_energy":0.438527665000001,"spacegroup":226},{"id":"oqmd-1215480","created_at":"2022-09-04T15:39:07.339035Z","updated_at":"2022-09-04T15:39:07.339061Z","structure_string":"Zr4\n1.0\n3.224908 0.000000 0.000000\n-1.612454 2.792852 0.000000\n0.000000 0.000000 10.393457\nZr\n4\ndirect\n0.000000 0.000000 0.000000 Zr\n0.333333 0.666666 0.250000 Zr\n0.000000 0.000000 0.500000 Zr\n0.666665 0.333333 0.750000 Zr\n","nsites":4,"nelements":1,"elements":["Zr"],"chemical_system":"Zr","density":6.47281098005555,"density_atomic":0.04273017939164999,"volume":93.6106531015793,"volume_molar":14.093413240331028,"formula_full":"Zr4","formula_reduced":"Zr","formula_anonymous":"A","formation_energy":0.0481923599999998,"spacegroup":194},{"id":"oqmd-758475","created_at":"2022-09-04T15:21:49.211428Z","updated_at":"2022-09-04T15:21:49.211458Z","structure_string":"Zr2\n1.0\n2.792445 1.612219 0.000000\n-2.792445 1.612219 0.000000\n0.000000 0.000000 5.195670\nZr\n2\ndirect\n0.000000 0.000000 0.000000 Zr\n0.333334 0.666666 0.500001 Zr\n","nsites":2,"nelements":1,"elements":["Zr"],"chemical_system":"Zr","density":6.476017094191277,"density_atomic":0.042751344513355514,"volume":46.782154403943956,"volume_molar":14.086435943830221,"formula_full":"Zr2","formula_reduced":"Zr","formula_anonymous":"A","formation_energy":0.0001881900000011,"spacegroup":194},{"id":"oqmd-1215658","created_at":"2022-09-04T15:39:07.915963Z","updated_at":"2022-09-04T15:39:07.915990Z","structure_string":"Zr2\n1.0\n0.000000 0.000000 -3.046436\n2.780605 2.780605 1.523218\n2.780605 -2.780605 -1.523218\nZr\n2\ndirect\n0.000000 0.000000 0.000000 Zr\n0.250000 0.499999 0.499999 Zr\n","nsites":2,"nelements":1,"elements":["Zr"],"chemical_system":"Zr","density":6.431133889339072,"density_atomic":0.04245504860715397,"volume":47.10864939777707,"volume_molar":14.184745884345137,"formula_full":"Zr2","formula_reduced":"Zr","formula_anonymous":"A","formation_energy":0.48382258,"spacegroup":141}]}