{"count":55712,"next":"https://simmate.org/third-parties/JarvisStructure/?format=json&ordering=-volume_molar&page=3580","previous":"https://simmate.org/third-parties/JarvisStructure/?format=json&ordering=-volume_molar&page=3578","results":[{"id":"jvasp-9490","created_at":"2022-09-04T14:38:28.821957Z","updated_at":"2022-09-04T14:38:28.821984Z","structure_string":"Mg2 Fe2 F10\n1.0\n4.988990 -0.477777 1.266405\n-1.694842 4.863860 1.513334\n0.754158 -0.606519 7.460903\nMg Fe F\n2 2 10\ndirect\n0.697221 0.475133 0.769453 Mg\n0.306841 0.527929 0.228766 Mg\n0.002029 0.001538 -0.000894 Fe\n0.502030 0.001512 0.499108 Fe\n0.624841 0.864779 0.258296 F\n0.379220 0.138254 0.739938 F\n0.465875 0.295203 0.343281 F\n0.158410 0.780906 0.121369 F\n0.256703 0.317030 0.038667 F\n0.902260 0.264752 0.438672 F\n0.747306 0.686040 -0.040440 F\n0.101787 0.738300 0.559551 F\n0.845567 0.222125 0.876885 F\n0.538140 0.707800 0.654943 F\n","nsites":14,"nelements":3,"elements":["Mg","Fe","F"],"chemical_system":"F-Fe-Mg","density":3.3106572712452733,"density_atomic":0.0796843109977248,"volume":175.6933055542105,"volume_molar":7.557498690265324,"formula_full":"Mg2 Fe2 F10","formula_reduced":"MgFeF5","formula_anonymous":"ABC5","energy_above_hull":0.0,"spacegroup":2},{"id":"jvasp-60852","created_at":"2022-09-04T14:35:41.406783Z","updated_at":"2022-09-04T14:35:41.406794Z","structure_string":"Nd2 Ni5 B4\n1.0\n2.562248 4.895294 0.002173\n-2.562248 4.895294 0.002173\n0.000000 3.951740 5.504567\nNd Ni B\n2 5 4\ndirect\n0.726448 0.726448 0.350201 Nd\n0.273552 0.273552 0.649799 Nd\n0.822544 0.325674 0.130659 Ni\n0.674325 0.177455 0.869340 Ni\n0.177455 0.674325 0.869340 Ni\n0.325674 0.822544 0.130659 Ni\n-0.000000 -0.000000 0.500000 Ni\n0.221739 0.221739 0.160706 B\n0.778260 0.778260 0.839294 B\n0.599040 0.599040 0.862127 B\n0.400960 0.400960 0.137873 B\n","nsites":11,"nelements":3,"elements":["Nd","Ni","B"],"chemical_system":"B-Nd-Ni","density":7.520555377077921,"density_atomic":0.07968526203627387,"volume":138.04309252308968,"volume_molar":7.557408491997724,"formula_full":"Nd2 Ni5 B4","formula_reduced":"Nd2Ni5B4","formula_anonymous":"A2B4C5","energy_above_hull":2.85713593939394,"spacegroup":12},{"id":"jvasp-116053","created_at":"2022-09-04T14:38:47.765761Z","updated_at":"2022-09-04T14:38:47.765786Z","structure_string":"Ta1 N1 F2\n1.0\n2.962087 0.000000 0.000000\n0.000000 2.962087 0.000000\n0.000000 0.000000 5.721174\nTa N F\n1 1 2\ndirect\n0.500000 0.500000 0.749720 Ta\n0.000000 0.000000 0.782012 N\n0.000000 0.000000 0.404231 F\n0.500000 0.500000 0.074036 F\n","nsites":4,"nelements":3,"elements":["Ta","N","F"],"chemical_system":"F-N-Ta","density":7.706081900521727,"density_atomic":0.0796854839908649,"volume":50.197348370985075,"volume_molar":7.557387441720721,"formula_full":"Ta1 N1 F2","formula_reduced":"TaNF2","formula_anonymous":"ABC2","energy_above_hull":2.49600075375,"spacegroup":99},{"id":"jvasp-9781","created_at":"2022-09-04T14:37:07.162087Z","updated_at":"2022-09-04T14:37:07.162105Z","structure_string":"Sr2 Ga1 Sb1 O6\n1.0\n4.825738 -0.000000 -2.785327\n-1.607640 4.550082 -2.785327\n0.040996 0.057964 5.644123\nSr Ga Sb O\n2 1 1 6\ndirect\n0.250000 0.749999 0.499999 Sr\n0.750001 0.249999 0.499999 Sr\n0.000000 0.000000 0.000000 Ga\n0.500000 0.500000 -0.000001 Sb\n0.792878 0.708494 -0.000001 O\n0.291505 0.792877 -0.000001 O\n0.708495 0.207122 -0.000000 O\n0.207123 0.291505 -0.000000 O\n0.251661 0.251660 0.503321 O\n0.748340 0.748338 0.496677 O\n","nsites":10,"nelements":4,"elements":["Sr","Ga","Sb","O"],"chemical_system":"Ga-O-Sb-Sr","density":6.122952555911735,"density_atomic":0.07968821314006902,"volume":125.48907305052592,"volume_molar":7.557128617521896,"formula_full":"Sr2 Ga1 Sb1 O6","formula_reduced":"Sr2GaSbO6","formula_anonymous":"ABC2D6","energy_above_hull":1.4945832045000005,"spacegroup":87},{"id":"jvasp-95080","created_at":"2022-09-04T14:36:00.539405Z","updated_at":"2022-09-04T14:36:00.539431Z","structure_string":"Na10 Fe6 F28\n1.0\n7.226892 0.000000 0.000000\n0.000000 7.372795 -0.076794\n0.000000 0.036323 10.362023\nNa Fe F\n10 6 28\ndirect\n0.312131 0.762633 0.748485 Na\n0.187869 0.262633 0.248485 Na\n0.687869 0.237366 0.251515 Na\n0.721494 0.222688 0.735977 Na\n0.221494 0.277311 0.764023 Na\n0.778506 0.722688 0.235977 Na\n0.000000 -0.000000 0.500000 Na\n0.500000 0.500000 0.000000 Na\n0.278506 0.777311 0.264023 Na\n0.812131 0.737366 0.751515 Na\n0.500000 -0.000000 0.500000 Fe\n0.000000 0.500000 0.000000 Fe\n0.000000 0.000000 0.000000 Fe\n0.500000 0.499999 0.500000 Fe\n0.000000 0.499999 0.500000 Fe\n0.500000 0.000000 0.000000 Fe\n0.909082 0.750956 0.986018 F\n0.839869 0.453690 0.853108 F\n0.090918 0.249043 0.013982 F\n0.034620 0.971484 0.183617 F\n0.486154 0.198022 0.891390 F\n0.758200 0.571472 0.541761 F\n0.258201 0.928526 0.958239 F\n0.590918 0.250957 0.486018 F\n0.534620 0.528515 0.316384 F\n0.284178 0.041280 0.389832 F\n0.465380 0.471484 0.683616 F\n0.513846 0.801977 0.108611 F\n0.013846 0.698021 0.391390 F\n0.569953 0.846578 0.866279 F\n0.339869 0.046309 0.646892 F\n0.069953 0.653420 0.633721 F\n0.741799 0.071473 0.041761 F\n0.215822 0.541279 0.889833 F\n0.930047 0.346579 0.366279 F\n0.160131 0.546309 0.146892 F\n0.430046 0.153421 0.133721 F\n0.784178 0.458720 0.110168 F\n0.965379 0.028515 0.816383 F\n0.660131 0.953690 0.353108 F\n0.409082 0.749042 0.513982 F\n0.715822 0.958719 0.610168 F\n0.986154 0.301977 0.608610 F\n0.241799 0.428527 0.458239 F\n","nsites":44,"nelements":3,"elements":["Na","Fe","F"],"chemical_system":"F-Fe-Na","density":3.2989907788632356,"density_atomic":0.07969086573286935,"volume":552.1335424751413,"volume_molar":7.556877070688045,"formula_full":"Na10 Fe6 F28","formula_reduced":"Na5Fe3F14","formula_anonymous":"A3B5C14","energy_above_hull":0.3154934149999999,"spacegroup":14},{"id":"jvasp-12970","created_at":"2022-09-04T14:36:42.917928Z","updated_at":"2022-09-04T14:36:42.917937Z","structure_string":"Mg6 B2 N6\n1.0\n1.773060 -3.071029 -0.000000\n1.773060 3.071029 0.000000\n0.000000 0.000000 16.130781\nMg B N\n6 2 6\ndirect\n0.000000 0.000000 0.250000 Mg\n0.000000 0.000000 0.750000 Mg\n0.666667 0.333333 0.122796 Mg\n0.333333 0.666667 0.622796 Mg\n0.333333 0.666667 0.877204 Mg\n0.666667 0.333333 0.377204 Mg\n0.000000 0.000000 0.000000 B\n0.000000 0.000000 0.500000 B\n0.666667 0.333333 0.250000 N\n0.333333 0.666667 0.750000 N\n0.000000 0.000000 0.083326 N\n0.000000 0.000000 0.583326 N\n0.000000 0.000000 0.916674 N\n0.000000 0.000000 0.416674 N\n","nsites":14,"nelements":3,"elements":["Mg","B","N"],"chemical_system":"B-Mg-N","density":2.3772829574567846,"density_atomic":0.07969577442776268,"volume":175.66803385152858,"volume_molar":7.556411620616785,"formula_full":"Mg6 B2 N6","formula_reduced":"Mg3BN3","formula_anonymous":"AB3C3","energy_above_hull":2.6800156404761903,"spacegroup":194},{"id":"jvasp-23735","created_at":"2022-09-04T14:37:34.039793Z","updated_at":"2022-09-04T14:37:34.039816Z","structure_string":"Tl4 Ru4 O14\n1.0\n6.329409 -0.000000 3.654286\n2.109803 5.967424 3.654286\n-0.000000 -0.000000 7.308572\nTl Ru O\n4 4 14\ndirect\n0.500000 0.500000 0.500001 Tl\n-0.000000 0.500000 0.500000 Tl\n0.500000 0.000000 0.500000 Tl\n0.500000 0.500000 0.000001 Tl\n0.000000 0.000000 0.000000 Ru\n0.000000 0.000000 0.500000 Ru\n0.500000 0.000000 0.000000 Ru\n-0.000000 0.500000 0.000001 Ru\n0.068956 0.681043 0.068957 O\n0.681043 0.068957 0.681043 O\n0.681043 0.068957 0.068957 O\n0.625000 0.625000 0.625001 O\n0.931043 0.318956 0.318957 O\n0.318956 0.931043 0.318958 O\n0.318957 0.318956 0.931043 O\n0.931043 0.931043 0.318958 O\n0.931043 0.318956 0.931044 O\n0.068956 0.681043 0.681044 O\n0.318956 0.931043 0.931044 O\n0.375000 0.375000 0.375000 O\n0.681043 0.681043 0.068958 O\n0.068957 0.068957 0.681043 O\n","nsites":22,"nelements":3,"elements":["Tl","Ru","O"],"chemical_system":"O-Ru-Tl","density":8.697134232917383,"density_atomic":0.07969665508798587,"volume":276.04671708883876,"volume_molar":7.556328121113111,"formula_full":"Tl4 Ru4 O14","formula_reduced":"Tl2Ru2O7","formula_anonymous":"A2B2C7","energy_above_hull":2.6096737,"spacegroup":227},{"id":"jvasp-71105","created_at":"2022-09-04T14:35:50.556821Z","updated_at":"2022-09-04T14:35:50.556854Z","structure_string":"Be1 Co1 W2\n1.0\n2.685219 0.000000 -0.000000\n0.000000 2.685219 0.000000\n0.000000 -0.000000 6.960815\nBe Co W\n1 1 2\ndirect\n0.000000 0.000000 0.541201 Be\n0.500000 0.500000 0.708163 Co\n0.000000 0.000000 0.959013 W\n0.500000 0.500000 0.291622 W\n","nsites":4,"nelements":3,"elements":["Be","Co","W"],"chemical_system":"Be-Co-W","density":14.412613959473129,"density_atomic":0.07969672530210062,"volume":50.1902679794871,"volume_molar":7.556321463864804,"formula_full":"Be1 Co1 W2","formula_reduced":"BeCoW2","formula_anonymous":"ABC2","energy_above_hull":5.21078925,"spacegroup":99},{"id":"jvasp-11671","created_at":"2022-09-04T14:38:07.512959Z","updated_at":"2022-09-04T14:38:07.512982Z","structure_string":"V2 Zn2 O7\n1.0\n4.953699 0.103614 -0.923485\n-1.258907 5.134564 -1.164272\n0.076520 -0.099624 5.411870\nV Zn O\n2 2 7\ndirect\n0.902035 0.233768 0.233770 V\n0.097965 0.766230 0.766231 V\n0.500000 0.314296 0.685703 Zn\n0.500000 0.685704 0.314297 Zn\n0.224523 0.423050 0.423051 O\n0.775474 0.576949 0.576949 O\n0.289493 0.946495 0.610654 O\n0.710506 0.389345 0.053506 O\n0.000000 0.000000 0.000000 O\n0.710507 0.053506 0.389347 O\n0.289493 0.610653 0.946495 O\n","nsites":11,"nelements":3,"elements":["V","Zn","O"],"chemical_system":"O-V-Zn","density":4.147083150171323,"density_atomic":0.07969830393152813,"volume":138.02050303919293,"volume_molar":7.5561717915275235,"formula_full":"V2 Zn2 O7","formula_reduced":"V2Zn2O7","formula_anonymous":"A2B2C7","energy_above_hull":2.2717712454545453,"spacegroup":12},{"id":"jvasp-20252","created_at":"2022-09-04T14:37:51.466923Z","updated_at":"2022-09-04T14:37:51.466943Z","structure_string":"Ti4 Mn8\n1.0\n2.360605 -4.088688 -0.000000\n2.360605 4.088688 -0.000000\n-0.000000 0.000000 7.799919\nTi Mn\n4 8\ndirect\n0.333334 0.666668 0.437003 Ti\n0.666668 0.333334 0.937003 Ti\n0.666668 0.333334 0.562997 Ti\n0.333334 0.666668 0.062997 Ti\n0.655431 0.827716 0.750000 Mn\n0.344571 0.172286 0.250000 Mn\n0.827716 0.172286 0.250000 Mn\n0.172286 0.344571 0.750000 Mn\n0.172286 0.827716 0.750000 Mn\n0.827716 0.655431 0.250000 Mn\n0.000000 0.000000 0.500000 Mn\n0.000000 0.000000 0.000000 Mn\n","nsites":12,"nelements":2,"elements":["Ti","Mn"],"chemical_system":"Mn-Ti","density":6.958763070272373,"density_atomic":0.07969918188965115,"volume":150.56616285741555,"volume_molar":7.556088553503668,"formula_full":"Ti4 Mn8","formula_reduced":"TiMn2","formula_anonymous":"AB2","energy_above_hull":3.5463676053639848,"spacegroup":194},{"id":"jvasp-51012","created_at":"2022-09-04T14:37:18.445635Z","updated_at":"2022-09-04T14:37:18.445676Z","structure_string":"H4 W4 O14\n1.0\n6.711268 0.062408 0.013595\n-2.785655 6.372483 -0.204106\n-0.075884 -3.139976 6.525446\nH W O\n4 4 14\ndirect\n0.613690 0.599677 -0.011726 H\n0.352681 0.885065 0.547458 H\n0.377502 0.070848 0.068712 H\n0.859614 0.356705 0.759115 H\n0.966058 0.557956 0.509985 W\n0.068214 0.093270 0.570125 W\n0.470283 0.504955 0.378672 W\n0.938933 0.949841 0.013846 W\n0.324481 0.311719 0.583739 O\n0.740443 0.049044 0.011879 O\n0.482485 0.751502 0.602854 O\n0.942996 0.984298 0.283589 O\n0.908381 0.299014 0.626885 O\n0.281918 0.136390 0.147825 O\n0.067271 0.123596 0.833037 O\n0.071949 0.748384 0.788941 O\n0.665006 0.350330 0.394109 O\n0.825619 0.739935 0.471622 O\n0.200296 0.859750 0.492935 O\n0.738184 0.625597 0.911541 O\n0.481313 0.579182 0.175783 O\n0.122693 0.422928 0.339064 O\n","nsites":22,"nelements":3,"elements":["H","W","O"],"chemical_system":"H-O-W","density":5.795380747961535,"density_atomic":0.07969965040186552,"volume":276.0363425569687,"volume_molar":7.556044135243836,"formula_full":"H4 W4 O14","formula_reduced":"H2W2O7","formula_anonymous":"A2B2C7","energy_above_hull":4.0008313181818185,"spacegroup":1},{"id":"jvasp-17957","created_at":"2022-09-04T14:37:30.108122Z","updated_at":"2022-09-04T14:37:30.108147Z","structure_string":"Hf1 C1\n1.0\n2.845922 0.000000 1.643093\n0.948640 2.683161 1.643093\n0.000000 0.000000 3.286188\nHf C\n1 1\ndirect\n0.000000 0.000000 0.000000 Hf\n0.500000 0.500000 0.500000 C\n","nsites":2,"nelements":2,"elements":["Hf","C"],"chemical_system":"C-Hf","density":12.60618110767046,"density_atomic":0.0797017513349602,"volume":25.09355147786727,"volume_molar":7.555844958401136,"formula_full":"Hf1 C1","formula_reduced":"HfC","formula_anonymous":"AB","energy_above_hull":3.306796500000001,"spacegroup":225}]}