{"count":55712,"next":"https://simmate.org/third-parties/JarvisStructure/?format=json&ordering=created_at&page=584","previous":"https://simmate.org/third-parties/JarvisStructure/?format=json&ordering=created_at&page=582","results":[{"id":"jvasp-67847","created_at":"2022-09-04T14:35:59.981195Z","updated_at":"2022-09-04T14:35:59.981232Z","structure_string":"Hf1 Be2 Hg1\n1.0\n4.211746 0.000000 0.000000\n0.000000 4.211746 0.000000\n0.000000 -0.000000 3.408309\nHf Be Hg\n1 2 1\ndirect\n0.500000 0.500000 0.500000 Hf\n0.500000 0.000000 0.000000 Be\n0.000000 0.500000 0.000000 Be\n0.000000 0.000000 0.500000 Hg\n","nsites":4,"nelements":3,"elements":["Hf","Be","Hg"],"chemical_system":"Be-Hf-Hg","density":10.906626773020632,"density_atomic":0.06616018117253714,"volume":60.45932657845239,"volume_molar":9.102364372756238,"formula_full":"Hf1 Be2 Hg1","formula_reduced":"HfBe2Hg","formula_anonymous":"ABC2","energy_above_hull":1.92011245,"spacegroup":123},{"id":"jvasp-74669","created_at":"2022-09-04T14:35:59.981948Z","updated_at":"2022-09-04T14:35:59.981986Z","structure_string":"Ca2 Be1 Ir1\n1.0\n4.670876 0.000000 0.000000\n0.000000 4.670876 0.000000\n0.000000 0.000000 3.702586\nCa Be Ir\n2 1 1\ndirect\n0.500000 0.000000 0.000000 Ca\n0.000000 0.500000 0.000000 Ca\n0.000000 0.000000 0.500001 Be\n0.500000 0.500000 0.500001 Ir\n","nsites":4,"nelements":3,"elements":["Ca","Be","Ir"],"chemical_system":"Be-Ca-Ir","density":5.784269110614448,"density_atomic":0.04951743733240082,"volume":80.77962462291387,"volume_molar":12.16165675047873,"formula_full":"Ca2 Be1 Ir1","formula_reduced":"Ca2BeIr","formula_anonymous":"ABC2","energy_above_hull":1.39097701,"spacegroup":123},{"id":"jvasp-64392","created_at":"2022-09-04T14:35:59.982306Z","updated_at":"2022-09-04T14:35:59.982339Z","structure_string":"K1 Ba1 V1\n1.0\n0.000000 4.155266 4.155266\n4.155266 0.000000 4.155266\n4.155266 4.155266 -0.000000\nK Ba V\n1 1 1\ndirect\n0.000000 0.000000 0.000000 K\n0.750001 0.750001 0.750001 Ba\n0.500000 0.500000 0.500000 V\n","nsites":3,"nelements":3,"elements":["K","Ba","V"],"chemical_system":"Ba-K-V","density":2.631174551144375,"density_atomic":0.020907146755722972,"volume":143.49160289788475,"volume_molar":28.804221017636195,"formula_full":"K1 Ba1 V1","formula_reduced":"KBaV","formula_anonymous":"ABC","energy_above_hull":1.3569660566666666,"spacegroup":216},{"id":"jvasp-62561","created_at":"2022-09-04T14:35:59.983378Z","updated_at":"2022-09-04T14:35:59.983401Z","structure_string":"Zr1 B1 Rh3\n1.0\n4.137469 -0.000000 -0.000000\n-0.000000 4.137469 -0.000000\n-0.000000 0.000000 4.137469\nZr B Rh\n1 1 3\ndirect\n0.000000 0.000000 0.000000 Zr\n0.500000 0.500000 0.500000 B\n0.500000 0.500000 0.000000 Rh\n0.000000 0.500000 0.500000 Rh\n0.500000 0.000000 0.500000 Rh\n","nsites":5,"nelements":3,"elements":["Zr","B","Rh"],"chemical_system":"B-Rh-Zr","density":9.62994921961206,"density_atomic":0.07059366762166067,"volume":70.82788256302214,"volume_molar":8.530709570545378,"formula_full":"Zr1 B1 Rh3","formula_reduced":"ZrBRh3","formula_anonymous":"ABC3","energy_above_hull":3.5739112166666667,"spacegroup":221},{"id":"jvasp-45852","created_at":"2022-09-04T14:35:59.989913Z","updated_at":"2022-09-04T14:35:59.989938Z","structure_string":"Li2 Nb2 Fe3 O10\n1.0\n5.141026 -0.082165 0.091796\n0.997517 4.968000 0.079154\n2.614293 1.817765 7.428868\nLi Nb Fe O\n2 2 3 10\ndirect\n0.635232 0.485029 0.579466 Li\n0.429709 0.415140 0.245505 Li\n0.937553 0.055059 0.311701 Nb\n0.063331 0.897958 0.677715 Nb\n0.490901 0.005533 0.986588 Fe\n0.989178 0.676473 0.098366 Fe\n0.991397 0.308192 0.896566 Fe\n0.782166 0.838955 0.555040 O\n0.773590 0.650989 0.953011 O\n0.750883 0.020416 0.139141 O\n0.215732 0.925073 0.871829 O\n0.759991 0.194287 0.767223 O\n0.225598 0.111960 0.440097 O\n0.229080 0.770025 0.207491 O\n0.766487 0.432407 0.315993 O\n0.211282 0.318223 0.077073 O\n0.234954 0.530610 0.678053 O\n","nsites":17,"nelements":4,"elements":["Li","Nb","Fe","O"],"chemical_system":"Fe-Li-Nb-O","density":4.642850385600737,"density_atomic":0.09015494208935017,"volume":188.56426066084933,"volume_molar":6.67976776473509,"formula_full":"Li2 Nb2 Fe3 O10","formula_reduced":"Li2Nb2Fe3O10","formula_anonymous":"A2B2C3D10","energy_above_hull":3.3283606058823527,"spacegroup":1},{"id":"jvasp-63350","created_at":"2022-09-04T14:35:59.993246Z","updated_at":"2022-09-04T14:35:59.993274Z","structure_string":"Er1 Co2 B2\n1.0\n-1.768796 1.768796 4.595331\n1.768796 -1.768796 4.595331\n1.768796 1.768796 -4.595331\nEr Co B\n1 2 2\ndirect\n0.000000 0.000000 0.000000 Er\n0.250000 0.750001 0.500001 Co\n0.750001 0.250000 0.500001 Co\n0.354130 0.354130 0.000000 B\n0.645870 0.645870 0.000000 B\n","nsites":5,"nelements":3,"elements":["Er","Co","B"],"chemical_system":"B-Co-Er","density":8.85722523023943,"density_atomic":0.08694362012005749,"volume":57.50853246156153,"volume_molar":6.926489547691056,"formula_full":"Er1 Co2 B2","formula_reduced":"Er(CoB)2","formula_anonymous":"AB2C2","energy_above_hull":3.4751913933333336,"spacegroup":139},{"id":"jvasp-68896","created_at":"2022-09-04T14:35:59.995098Z","updated_at":"2022-09-04T14:35:59.995126Z","structure_string":"Be2 Hg1 P1\n1.0\n3.071999 -0.000000 0.000000\n0.000000 3.071999 0.000000\n0.000000 0.000000 6.100044\nBe Hg P\n2 1 1\ndirect\n-0.000000 0.000000 0.671606 Be\n-0.000000 0.000000 0.328393 Be\n0.500000 0.500000 0.000000 Hg\n0.500000 0.500000 0.500000 P\n","nsites":4,"nelements":3,"elements":["Be","Hg","P"],"chemical_system":"Be-Hg-P","density":7.1994266292101186,"density_atomic":0.06948401153887994,"volume":57.56720015743176,"volume_molar":8.666944562678706,"formula_full":"Be2 Hg1 P1","formula_reduced":"Be2HgP","formula_anonymous":"ABC2","energy_above_hull":1.377750575,"spacegroup":123},{"id":"jvasp-63166","created_at":"2022-09-04T14:36:00.001291Z","updated_at":"2022-09-04T14:36:00.001319Z","structure_string":"Sm2 Sn2 Au2\n1.0\n2.369813 -4.104555 0.000000\n2.369813 4.104555 0.000000\n0.000000 0.000000 7.568112\nSm Sn Au\n2 2 2\ndirect\n0.999993 0.000006 0.973976 Sm\n0.000006 0.999993 0.473976 Sm\n0.666666 0.333333 0.199192 Sn\n0.333333 0.666666 0.699192 Sn\n0.666666 0.333332 0.796832 Au\n0.333332 0.666666 0.296833 Au\n","nsites":6,"nelements":3,"elements":["Sm","Sn","Au"],"chemical_system":"Au-Sm-Sn","density":10.512388106031567,"density_atomic":0.040752433477049405,"volume":147.23047160800905,"volume_molar":14.777377069743567,"formula_full":"Sm2 Sn2 Au2","formula_reduced":"SmSnAu","formula_anonymous":"ABC","energy_above_hull":0.4177360483333331,"spacegroup":186},{"id":"jvasp-68294","created_at":"2022-09-04T14:36:00.002314Z","updated_at":"2022-09-04T14:36:00.002334Z","structure_string":"Be1 Fe1 Pt2\n1.0\n-1.821293 1.821293 4.020780\n1.821293 -1.821293 4.020780\n1.821293 1.821293 -4.020780\nBe Fe Pt\n1 1 2\ndirect\n0.500000 0.500000 0.000000 Be\n0.749999 0.250000 0.499999 Fe\n0.000000 0.000000 0.000000 Pt\n0.250000 0.749999 0.499999 Pt\n","nsites":4,"nelements":3,"elements":["Be","Fe","Pt"],"chemical_system":"Be-Fe-Pt","density":14.16297831953624,"density_atomic":0.0749773440455877,"volume":53.349449102490496,"volume_molar":8.031947299091335,"formula_full":"Be1 Fe1 Pt2","formula_reduced":"BeFePt2","formula_anonymous":"ABC2","energy_above_hull":2.5722836,"spacegroup":119},{"id":"jvasp-86518","created_at":"2022-09-04T14:36:00.005456Z","updated_at":"2022-09-04T14:36:00.005493Z","structure_string":"K2 C2 Br2 N4 O8\n1.0\n5.995790 0.083509 -1.465510\n-1.492728 6.129076 -3.152932\n0.007715 0.003278 7.374639\nK C Br N O\n2 2 2 4 8\ndirect\n0.328022 0.278892 0.127350 K\n0.671977 0.721109 0.872650 K\n0.952559 0.243085 0.537849 C\n0.047441 0.756917 0.462152 C\n0.796815 0.203473 0.711292 Br\n0.203184 0.796528 0.288709 Br\n0.822474 0.638335 0.369422 N\n0.177525 0.361666 0.630578 N\n0.834137 0.158926 0.323753 N\n0.165862 0.841075 0.676248 N\n0.272900 0.421441 0.825464 O\n0.714947 0.587805 0.473432 O\n0.727099 0.578560 0.174537 O\n0.371862 0.945516 0.741801 O\n0.628137 0.054485 0.258199 O\n0.285052 0.412196 0.526569 O\n0.924616 0.179103 0.194245 O\n0.075383 0.820898 0.805756 O\n","nsites":18,"nelements":5,"elements":["K","C","Br","N","O"],"chemical_system":"Br-C-K-N-O","density":2.7224506667368464,"density_atomic":0.06616096482719261,"volume":272.06374706013776,"volume_molar":9.102256558273254,"formula_full":"K2 C2 Br2 N4 O8","formula_reduced":"KCBr(NO2)2","formula_anonymous":"ABCD2E4","energy_above_hull":3.234801400555555,"spacegroup":2},{"id":"jvasp-3636","created_at":"2022-09-04T14:36:00.005922Z","updated_at":"2022-09-04T14:36:00.005942Z","structure_string":"As2 I6\n1.0\n6.310092 -0.097687 4.798134\n2.324383 5.867204 4.798132\n-0.146194 -0.097683 7.925780\nAs I\n2 6\ndirect\n0.173977 0.173977 0.173977 As\n0.826023 0.826023 0.826023 As\n0.420736 0.072042 0.756167 I\n0.756167 0.420735 0.072042 I\n0.072042 0.756167 0.420736 I\n0.579264 0.927957 0.243833 I\n0.243833 0.579264 0.927957 I\n0.927958 0.243833 0.579264 I\n","nsites":8,"nelements":2,"elements":["As","I"],"chemical_system":"As-I","density":5.022488408431534,"density_atomic":0.026552948309652925,"volume":301.2848105116719,"volume_molar":22.679744221890196,"formula_full":"As2 I6","formula_reduced":"AsI3","formula_anonymous":"AB3","energy_above_hull":0.28959764375,"spacegroup":148},{"id":"jvasp-65509","created_at":"2022-09-04T14:36:00.006214Z","updated_at":"2022-09-04T14:36:00.006246Z","structure_string":"Ba1 Ca2 Ir1\n1.0\n4.708621 0.000000 0.000000\n0.000000 4.708621 0.000000\n0.000000 0.000000 5.115282\nBa Ca Ir\n1 2 1\ndirect\n0.000000 0.000000 0.500000 Ba\n0.000000 0.500000 0.000000 Ca\n0.500000 0.000000 0.000000 Ca\n0.500000 0.500000 0.500000 Ir\n","nsites":4,"nelements":3,"elements":["Ba","Ca","Ir"],"chemical_system":"Ba-Ca-Ir","density":5.998711976415818,"density_atomic":0.03526979537530672,"volume":113.41148870969921,"volume_molar":17.074498720273986,"formula_full":"Ba1 Ca2 Ir1","formula_reduced":"BaCa2Ir","formula_anonymous":"ABC2","energy_above_hull":0.8867744774999999,"spacegroup":123}]}