{"count":55712,"next":"https://simmate.org/third-parties/JarvisStructure/?format=json&ordering=-elements&page=82","previous":"https://simmate.org/third-parties/JarvisStructure/?format=json&ordering=-elements&page=80","results":[{"id":"jvasp-95315","created_at":"2022-09-04T14:36:31.781487Z","updated_at":"2022-09-04T14:36:31.781513Z","structure_string":"Ba4 Zn2 Ge4 S12 O2\n1.0\n6.473506 0.000000 0.000000\n0.000000 9.688328 0.000000\n0.000000 0.000000 9.688328\nBa Zn Ge S O\n4 2 4 12 2\ndirect\n0.500110 0.158927 0.658927 Ba\n0.499890 0.341073 0.158927 Ba\n0.500110 0.841073 0.341073 Ba\n0.499890 0.658927 0.841073 Ba\n0.000000 0.500000 0.500000 Zn\n0.000000 0.000000 0.000000 Zn\n0.069589 0.873698 0.626302 Ge\n0.069589 0.126302 0.373698 Ge\n0.930412 0.373698 0.873698 Ge\n0.930412 0.626302 0.126302 Ge\n0.265377 0.634862 0.134862 S\n0.734624 0.134862 0.365138 S\n0.734624 0.865139 0.634862 S\n0.230026 0.322582 0.437131 S\n0.769975 0.437131 0.677419 S\n0.769975 0.562869 0.322582 S\n0.230026 0.677419 0.562869 S\n0.769975 0.822582 0.062869 S\n0.769975 0.177419 0.937131 S\n0.230026 0.062869 0.177419 S\n0.230026 0.937131 0.822582 S\n0.265377 0.365138 0.865139 S\n0.183167 0.000000 0.500000 O\n0.816833 0.500000 0.000000 O\n","nsites":24,"nelements":5,"elements":["Ba","Zn","Ge","S","O"],"chemical_system":"Ba-Ge-O-S-Zn","density":3.79169896030418,"density_atomic":0.03949790126519404,"volume":607.6272214784498,"volume_molar":15.246736072295498,"formula_full":"Ba4 Zn2 Ge4 S12 O2","formula_reduced":"Ba2ZnGe2S6O","formula_anonymous":"ABC2D2E6","energy_above_hull":1.2393839783333334,"spacegroup":113},{"id":"jvasp-10775","created_at":"2022-09-04T14:38:15.180558Z","updated_at":"2022-09-04T14:38:15.180584Z","structure_string":"Ba2 Zn2 C2 O6 F4\n1.0\n2.448658 -4.241199 -0.000000\n2.448657 4.241199 0.000000\n0.000000 -0.000000 9.826677\nBa Zn C O F\n2 2 2 6 4\ndirect\n0.000000 0.000000 0.500000 Ba\n0.000000 0.000000 0.000000 Ba\n0.333333 0.666668 0.750000 Zn\n0.666668 0.333333 0.250000 Zn\n0.666668 0.333333 0.750000 C\n0.333333 0.666668 0.250000 C\n0.275167 0.896811 0.250000 O\n0.378356 0.275167 0.750000 O\n0.621645 0.724834 0.250000 O\n0.724834 0.103190 0.750000 O\n0.103190 0.378356 0.250000 O\n0.896811 0.621645 0.750000 O\n0.666668 0.333333 0.457387 F\n0.333333 0.666668 0.957387 F\n0.666668 0.333333 0.042613 F\n0.333333 0.666668 0.542613 F\n","nsites":16,"nelements":5,"elements":["Ba","Zn","C","O","F"],"chemical_system":"Ba-C-F-O-Zn","density":4.893497627033984,"density_atomic":0.0783910735405965,"volume":204.10487160523522,"volume_molar":7.682176666302835,"formula_full":"Ba2 Zn2 C2 O6 F4","formula_reduced":"BaZnCO3F2","formula_anonymous":"ABCD2E3","energy_above_hull":1.310382179375,"spacegroup":176},{"id":"jvasp-94834","created_at":"2022-09-04T14:35:47.747006Z","updated_at":"2022-09-04T14:35:47.747033Z","structure_string":"Ba1 Zn1 B1 O3 F1\n1.0\n0.000000 0.000000 -4.335599\n-2.549185 -4.415312 0.000000\n-2.549168 4.415302 0.000000\nBa Zn B O F\n1 1 1 3 1\ndirect\n0.500000 0.666676 0.333337 Ba\n0.000000 0.333345 0.666671 Zn\n0.000000 0.000007 0.000006 B\n0.000000 0.975017 0.258133 O\n0.000000 0.741882 0.716889 O\n0.000000 0.283122 0.024991 O\n0.500000 0.333354 0.666676 F\n","nsites":7,"nelements":5,"elements":["Ba","Zn","B","O","F"],"chemical_system":"B-Ba-F-O-Zn","density":4.7731991315084485,"density_atomic":0.07172294684055398,"volume":97.5977746084747,"volume_molar":8.396393379356978,"formula_full":"Ba1 Zn1 B1 O3 F1","formula_reduced":"BaZnBO3F","formula_anonymous":"ABCDE3","energy_above_hull":1.1937342479761903,"spacegroup":174},{"id":"jvasp-54605","created_at":"2022-09-04T14:38:30.275625Z","updated_at":"2022-09-04T14:38:30.275642Z","structure_string":"Ba4 Zn2 Ag4 Se4 O4\n1.0\n0.000000 6.108202 0.019273\n6.108661 0.000000 0.000000\n0.000000 -3.022982 -10.060621\nBa Zn Ag Se O\n4 2 4 4 4\ndirect\n0.911723 0.500002 0.823446 Ba\n0.411723 -0.000002 0.823445 Ba\n0.588277 0.000002 0.176555 Ba\n0.088278 0.499998 0.176555 Ba\n0.000000 0.000000 0.000000 Zn\n0.500000 0.500000 0.000000 Zn\n0.497019 0.250008 0.500006 Ag\n0.002982 0.750007 0.499994 Ag\n0.502981 0.749992 0.499994 Ag\n0.997019 0.249992 0.500006 Ag\n0.662530 0.499996 0.325046 Se\n0.162530 0.000004 0.325046 Se\n0.837470 -0.000004 0.674954 Se\n0.337470 0.500004 0.674954 Se\n0.717055 0.283032 0.000001 O\n0.217056 0.216968 0.000001 O\n0.782944 0.783032 -0.000000 O\n0.282944 0.716968 -0.000001 O\n","nsites":18,"nelements":5,"elements":["Ba","Zn","Ag","Se","O"],"chemical_system":"Ag-Ba-O-Se-Zn","density":6.6036123999956535,"density_atomic":0.047995469427859434,"volume":375.0353984359975,"volume_molar":12.547310885357003,"formula_full":"Ba4 Zn2 Ag4 Se4 O4","formula_reduced":"Ba2ZnAg2(SeO)2","formula_anonymous":"AB2C2D2E2","energy_above_hull":0.486910065925926,"spacegroup":64},{"id":"jvasp-8416","created_at":"2022-09-04T14:36:49.375409Z","updated_at":"2022-09-04T14:36:49.375436Z","structure_string":"Ba1 Y1 V1 Cu1 O5\n1.0\n3.915847 0.000000 0.000000\n0.000000 3.915879 0.000000\n0.000000 0.000000 7.682006\nBa Y V Cu O\n1 1 1 1 5\ndirect\n0.000000 0.000000 0.005315 Ba\n0.000000 0.000000 0.546253 Y\n0.500000 0.500000 0.305114 V\n0.500000 0.500000 0.730086 Cu\n0.500000 0.000000 0.353649 O\n0.000000 0.500000 0.353655 O\n0.500000 0.000000 0.723559 O\n0.000000 0.500000 0.723557 O\n0.500000 0.500000 0.070897 O\n","nsites":9,"nelements":5,"elements":["Ba","Y","V","Cu","O"],"chemical_system":"Ba-Cu-O-V-Y","density":5.930753848069729,"density_atomic":0.07640343581860168,"volume":117.79574967502707,"volume_molar":7.882028727474857,"formula_full":"Ba1 Y1 V1 Cu1 O5","formula_reduced":"BaYVCuO5","formula_anonymous":"ABCDE5","energy_above_hull":2.160798174444444,"spacegroup":99},{"id":"jvasp-9469","created_at":"2022-09-04T14:38:29.848178Z","updated_at":"2022-09-04T14:38:29.848201Z","structure_string":"Ba2 Y1 Tl1 V2 O7\n1.0\n3.923462 -0.013822 -0.001472\n0.013844 3.926082 -0.003315\n0.004017 0.011612 12.843108\nBa Y Tl V O\n2 1 1 2 7\ndirect\n0.499971 0.486606 0.191957 Ba\n0.499979 0.486531 0.808067 Ba\n0.500095 0.477507 0.500000 Y\n-0.000179 0.047050 0.000012 Tl\n0.000066 -0.022026 0.367203 V\n0.000078 -0.022065 0.632795 V\n-0.000008 -0.023794 0.221257 O\n0.500068 -0.024196 0.388223 O\n0.000080 0.477075 0.388181 O\n0.000107 0.477020 0.611805 O\n0.499670 0.688393 0.000004 O\n0.500066 -0.024231 0.611767 O\n0.000006 -0.023871 0.778736 O\n","nsites":13,"nelements":5,"elements":["Ba","Y","Tl","V","O"],"chemical_system":"Ba-O-Tl-V-Y","density":6.562241788458983,"density_atomic":0.06571108280393544,"volume":197.83572945812773,"volume_molar":9.16457392426249,"formula_full":"Ba2 Y1 Tl1 V2 O7","formula_reduced":"Ba2YTlV2O7","formula_anonymous":"ABC2D2E7","energy_above_hull":2.386438683846153,"spacegroup":25},{"id":"jvasp-58011","created_at":"2022-09-04T14:37:30.638980Z","updated_at":"2022-09-04T14:37:30.639007Z","structure_string":"Ba2 Y1 Tl1 Sn2 O7\n1.0\n4.227226 0.000000 0.000000\n0.000000 4.227226 -0.000000\n0.000000 -0.000000 12.906522\nBa Y Tl Sn O\n2 1 1 2 7\ndirect\n0.500000 0.500000 0.190141 Ba\n0.500000 0.500000 0.809858 Ba\n0.500000 0.500000 0.500000 Y\n0.000000 0.000000 0.000000 Tl\n0.000000 0.000000 0.369445 Sn\n0.000000 0.000000 0.630555 Sn\n0.000000 0.000000 0.211479 O\n0.000000 0.500000 0.391624 O\n0.500000 0.000000 0.391624 O\n0.500000 0.000000 0.608376 O\n0.500000 0.500000 0.000000 O\n0.000000 0.500000 0.608376 O\n0.000000 0.000000 0.788521 O\n","nsites":13,"nelements":5,"elements":["Ba","Y","Tl","Sn","O"],"chemical_system":"Ba-O-Sn-Tl-Y","density":6.604930309649092,"density_atomic":0.05636677558220342,"volume":230.63231603591083,"volume_molar":10.683848238254308,"formula_full":"Ba2 Y1 Tl1 Sn2 O7","formula_reduced":"Ba2YTlSn2O7","formula_anonymous":"ABC2D2E7","energy_above_hull":1.6751475299999998,"spacegroup":123},{"id":"jvasp-9467","created_at":"2022-09-04T14:38:28.759451Z","updated_at":"2022-09-04T14:38:28.759488Z","structure_string":"Ba2 Y1 Tl1 Ni2 O7\n1.0\n3.797898 0.000000 0.000000\n0.000000 3.797898 0.000000\n0.000000 -0.000000 12.984039\nBa Y Tl Ni O\n2 1 1 2 7\ndirect\n0.500000 0.500000 0.793029 Ba\n0.500000 0.500000 0.206971 Ba\n0.500000 0.500000 0.500000 Y\n0.000000 0.000000 0.000000 Tl\n0.000000 0.000000 0.626060 Ni\n0.000000 0.000000 0.373940 Ni\n0.000000 0.000000 0.835553 O\n0.500000 0.000000 0.610860 O\n0.000000 0.500000 0.610860 O\n0.000000 0.500000 0.389140 O\n0.500000 0.500000 0.000000 O\n0.500000 0.000000 0.389140 O\n0.000000 0.000000 0.164447 O\n","nsites":13,"nelements":5,"elements":["Ba","Y","Tl","Ni","O"],"chemical_system":"Ba-Ni-O-Tl-Y","density":7.069496483083011,"density_atomic":0.06941398019518666,"volume":187.28215790889703,"volume_molar":8.675688590491733,"formula_full":"Ba2 Y1 Tl1 Ni2 O7","formula_reduced":"Ba2YTlNi2O7","formula_anonymous":"ABC2D2E7","energy_above_hull":1.7990168684615382,"spacegroup":123},{"id":"jvasp-9465","created_at":"2022-09-04T14:38:14.336358Z","updated_at":"2022-09-04T14:38:14.336386Z","structure_string":"Ba2 Y1 Tl1 Fe2 O7\n1.0\n3.908135 0.000000 0.000000\n0.000000 3.908135 -0.000000\n-0.000000 0.000000 13.025072\nBa Y Tl Fe O\n2 1 1 2 7\ndirect\n0.500001 0.500001 0.201105 Ba\n0.500001 0.500001 0.798837 Ba\n0.500001 0.500001 0.500008 Y\n0.000000 0.000000 -0.000045 Tl\n0.000000 0.000000 0.361062 Fe\n0.000000 0.000000 0.638959 Fe\n0.000000 0.000000 0.215650 O\n0.500001 0.000000 0.391940 O\n0.000000 0.500001 0.391940 O\n0.000000 0.500001 0.608108 O\n0.500001 0.500001 -0.000029 O\n0.500001 0.000000 0.608108 O\n0.000000 0.000000 0.784381 O\n","nsites":13,"nelements":5,"elements":["Ba","Y","Tl","Fe","O"],"chemical_system":"Ba-Fe-O-Tl-Y","density":6.607718275501593,"density_atomic":0.06534676686927694,"volume":198.93868698976146,"volume_molar":9.215667505091725,"formula_full":"Ba2 Y1 Tl1 Fe2 O7","formula_reduced":"Ba2YTlFe2O7","formula_anonymous":"ABC2D2E7","energy_above_hull":2.239873499230769,"spacegroup":123},{"id":"jvasp-9461","created_at":"2022-09-04T14:37:27.159392Z","updated_at":"2022-09-04T14:37:27.159413Z","structure_string":"Ba2 Y1 Tl1 Cr2 O7\n1.0\n3.904880 -0.000000 -0.000000\n-0.000000 3.904880 -0.000000\n0.000000 0.000000 13.017152\nBa Y Tl Cr O\n2 1 1 2 7\ndirect\n0.500000 0.500000 0.198991 Ba\n0.500000 0.500000 0.801008 Ba\n0.500000 0.500000 0.500000 Y\n0.000000 0.000000 0.000000 Tl\n0.000000 0.000000 0.362322 Cr\n0.000000 0.000000 0.637677 Cr\n0.000000 0.000000 0.218229 O\n0.000000 0.500000 0.391605 O\n0.500000 0.000000 0.391605 O\n0.500000 0.000000 0.608395 O\n0.500000 0.500000 0.000000 O\n0.000000 0.500000 0.608395 O\n0.000000 0.000000 0.781771 O\n","nsites":13,"nelements":5,"elements":["Ba","Y","Tl","Cr","O"],"chemical_system":"Ba-Cr-O-Tl-Y","density":6.558366139007431,"density_atomic":0.06549557990632215,"volume":198.4866767893926,"volume_molar":9.194728512387284,"formula_full":"Ba2 Y1 Tl1 Cr2 O7","formula_reduced":"Ba2YTlCr2O7","formula_anonymous":"ABC2D2E7","energy_above_hull":2.479133791538461,"spacegroup":123},{"id":"jvasp-9263","created_at":"2022-09-04T14:38:32.711696Z","updated_at":"2022-09-04T14:38:32.711740Z","structure_string":"Ba2 Y1 Ti2 Tl1 O7\n1.0\n3.946873 0.000000 0.000000\n0.000000 3.946873 -0.000000\n0.000000 0.000000 13.107449\nBa Y Ti Tl O\n2 1 2 1 7\ndirect\n0.500000 0.500000 0.806837 Ba\n0.500000 0.500000 0.193196 Ba\n0.500000 0.500000 0.499995 Y\n0.000000 0.000000 0.633211 Ti\n0.000000 0.000000 0.366778 Ti\n0.000000 0.000000 0.000017 Tl\n0.000000 0.000000 0.777305 O\n0.500000 0.000000 0.610426 O\n0.000000 0.500000 0.610426 O\n0.000000 0.500000 0.389553 O\n0.500000 0.500000 0.000018 O\n0.500000 0.000000 0.389553 O\n0.000000 0.000000 0.222682 O\n","nsites":13,"nelements":5,"elements":["Ba","Y","Ti","Tl","O"],"chemical_system":"Ba-O-Ti-Tl-Y","density":6.308168176165458,"density_atomic":0.06366765750961617,"volume":204.18530394394548,"volume_molar":9.458712626721713,"formula_full":"Ba2 Y1 Ti2 Tl1 O7","formula_reduced":"Ba2YTi2TlO7","formula_anonymous":"ABC2D2E7","energy_above_hull":2.2643423966666667,"spacegroup":123},{"id":"jvasp-8403","created_at":"2022-09-04T14:36:35.494217Z","updated_at":"2022-09-04T14:36:35.494243Z","structure_string":"Ba1 Y1 Ti1 Cu1 O5\n1.0\n3.927006 0.000000 0.000000\n0.000000 3.927006 -0.000000\n0.000000 0.000000 7.843283\nBa Y Ti Cu O\n1 1 1 1 5\ndirect\n0.000000 0.000000 0.990776 Ba\n0.000000 0.000000 0.549180 Y\n0.500000 0.500000 0.305422 Ti\n0.500000 0.500000 0.720978 Cu\n0.500000 0.000000 0.360173 O\n0.000000 0.500000 0.360173 O\n0.500000 0.000000 0.724327 O\n0.000000 0.500000 0.724327 O\n0.500000 0.500000 0.076721 O\n","nsites":9,"nelements":5,"elements":["Ba","Y","Ti","Cu","O"],"chemical_system":"Ba-Cu-O-Ti-Y","density":5.733675802475653,"density_atomic":0.07440831918942738,"volume":120.95421719025744,"volume_molar":8.093370238170467,"formula_full":"Ba1 Y1 Ti1 Cu1 O5","formula_reduced":"BaYTiCuO5","formula_anonymous":"ABCDE5","energy_above_hull":2.064609744814814,"spacegroup":99}]}