{"count":55712,"next":"https://simmate.org/third-parties/JarvisStructure/?format=json&ordering=nsites&page=3599","previous":"https://simmate.org/third-parties/JarvisStructure/?format=json&ordering=nsites&page=3597","results":[{"id":"jvasp-58463","created_at":"2022-09-04T14:38:34.215467Z","updated_at":"2022-09-04T14:38:34.215493Z","structure_string":"Ti4 Al2 O8\n1.0\n5.141406 0.042670 2.899214\n1.713298 4.847730 2.899214\n0.059808 0.042670 5.902197\nTi Al O\n4 2 8\ndirect\n0.000000 0.500000 -0.000000 Ti\n0.000000 0.000000 0.000000 Ti\n0.500000 0.000000 -0.000001 Ti\n0.000000 0.000000 0.500000 Ti\n0.625007 0.625006 0.625005 Al\n0.374994 0.374994 0.374993 Al\n0.256366 0.747885 0.747884 O\n0.252115 0.252115 0.743635 O\n0.252115 0.743635 0.252114 O\n0.252117 0.252117 0.252117 O\n0.747886 0.747885 0.256363 O\n0.743636 0.252115 0.252114 O\n0.747886 0.256365 0.747884 O\n0.747884 0.747883 0.747882 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O\n0.747601 0.747601 0.285711 O\n","nsites":14,"nelements":4,"elements":["Li","V","Zn","O"],"chemical_system":"Li-O-V-Zn","density":4.796355348400023,"density_atomic":0.09660801630430745,"volume":144.9155104882925,"volume_molar":6.23358287476967,"formula_full":"Li1 V3 Zn2 O8","formula_reduced":"LiV3Zn2O8","formula_anonymous":"AB2C3D8","energy_above_hull":2.477034385714286,"spacegroup":166},{"id":"jvasp-35950","created_at":"2022-09-04T14:38:34.168060Z","updated_at":"2022-09-04T14:38:34.168085Z","structure_string":"Mg2 Sc4 Se8\n1.0\n-5.586040 -5.586040 -0.000000\n-5.586040 0.000000 -5.586040\n0.000000 -5.586040 -5.586040\nMg Sc Se\n2 4 8\ndirect\n0.375000 0.375000 0.375000 Mg\n0.625000 0.625000 0.625000 Mg\n0.000000 0.000000 0.500000 Sc\n0.000000 0.500000 0.000000 Sc\n0.500000 0.000000 0.000000 Sc\n0.000000 0.000000 0.000000 Sc\n0.242495 0.242495 0.772513 Se\n0.242495 0.772513 0.242495 Se\n0.772513 0.242495 0.242495 Se\n0.242495 0.242495 0.242495 Se\n0.757505 0.757505 0.227487 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8\ndirect\n0.117085 0.750001 0.867085 Sm\n0.250000 0.617085 0.367085 Sm\n0.382915 0.250000 0.632916 Sm\n0.750000 0.882916 0.132916 Sm\n0.625000 0.375000 0.250000 Pb\n0.875000 0.125000 0.750000 Pb\n0.011363 0.858527 0.497306 S\n0.141473 0.138779 0.152835 S\n0.358527 0.511362 0.997306 S\n0.638779 0.641474 0.652836 S\n0.488639 0.985944 0.847166 S\n0.485944 0.988639 0.347166 S\n0.861222 0.514057 0.002695 S\n0.014057 0.361222 0.502695 S\n","nsites":14,"nelements":3,"elements":["Sm","Pb","S"],"chemical_system":"Pb-S-Sm","density":6.624823165732171,"density_atomic":0.04389784705516443,"volume":318.92224651488795,"volume_molar":13.718533285771962,"formula_full":"Sm4 Pb2 S8","formula_reduced":"Sm2PbS4","formula_anonymous":"AB2C4","energy_above_hull":1.5236112242857145,"spacegroup":122},{"id":"jvasp-56656","created_at":"2022-09-04T14:38:33.033431Z","updated_at":"2022-09-04T14:38:33.033461Z","structure_string":"Ti4 Mn2 O8\n1.0\n5.243260 0.000000 3.027197\n1.747753 4.943393 3.027197\n-0.000000 -0.000000 6.054395\nTi Mn O\n4 2 8\ndirect\n0.500000 0.500000 0.000001 Ti\n0.500000 -0.000000 0.500000 Ti\n0.500000 0.500000 0.500000 Ti\n-0.000000 0.500000 0.500000 Ti\n0.125000 0.125000 0.125000 Mn\n0.875000 0.874999 0.875001 Mn\n0.740018 0.740018 0.279945 O\n0.259981 0.259981 0.259982 O\n0.259981 0.259981 0.720056 O\n0.279944 0.740018 0.740019 O\n0.740018 0.279944 0.740018 O\n0.259981 0.720056 0.259982 O\n0.740018 0.740018 0.740019 O\n0.720056 0.259981 0.259982 O\n","nsites":14,"nelements":3,"elements":["Ti","Mn","O"],"chemical_system":"Mn-O-Ti","density":4.543101580332654,"density_atomic":0.08921353575274935,"volume":156.9268596057023,"volume_molar":6.750254554073553,"formula_full":"Ti4 Mn2 O8","formula_reduced":"Ti2MnO4","formula_anonymous":"AB2C4","energy_above_hull":3.1293082725779966,"spacegroup":227},{"id":"jvasp-119346","created_at":"2022-09-04T14:38:48.077116Z","updated_at":"2022-09-04T14:38:48.077139Z","structure_string":"Li4 Mn2 F8\n1.0\n5.182909 -0.000000 2.992354\n1.727636 4.886494 2.992354\n-0.000000 -0.000000 5.984708\nLi Mn F\n4 2 8\ndirect\n0.625001 0.625000 0.124999 Li\n0.625001 0.625000 0.624999 Li\n0.625000 0.125000 0.625000 Li\n0.125001 0.625000 0.625000 Li\n0.250000 0.250000 0.250000 Mn\n0.000000 0.000000 0.000000 Mn\n0.864355 0.864353 0.406936 F\n0.864354 0.406937 0.864353 F\n0.864355 0.864353 0.864353 F\n0.406938 0.864353 0.864353 F\n0.843063 0.385646 0.385645 F\n0.385646 0.385646 0.385646 F\n0.385647 0.843062 0.385645 F\n0.385646 0.385646 0.843063 F\n","nsites":14,"nelements":3,"elements":["Li","Mn","F"],"chemical_system":"F-Li-Mn","density":3.17303379292987,"density_atomic":0.09236642112291628,"volume":151.57023331422087,"volume_molar":6.519837714601996,"formula_full":"Li4 Mn2 F8","formula_reduced":"Li2MnF4","formula_anonymous":"AB2C4","energy_above_hull":0.4163854816256155,"spacegroup":227}]}