{"count":55712,"next":"https://simmate.org/third-parties/JarvisStructure/?format=json&ordering=-elements&page=91","previous":"https://simmate.org/third-parties/JarvisStructure/?format=json&ordering=-elements&page=89","results":[{"id":"jvasp-119665","created_at":"2022-09-04T14:38:52.161963Z","updated_at":"2022-09-04T14:38:52.161990Z","structure_string":"Ba4 Ca1 Cu2 C1 O9\n1.0\n5.802183 0.005524 0.000000\n-0.180280 5.799384 0.000000\n-0.000000 -0.000000 8.233765\nBa Ca Cu C O\n4 1 2 1 9\ndirect\n0.506918 0.987822 0.766246 Ba\n0.012177 0.493081 0.766246 Ba\n0.506918 0.987822 0.233754 Ba\n0.012177 0.493081 0.233754 Ba\n0.005551 -0.005551 0.000000 Ca\n0.508565 0.491434 -0.000000 Cu\n0.992702 0.007297 0.500000 Cu\n0.484494 0.515505 0.500000 C\n0.560196 0.439803 0.638147 O\n0.281748 0.264657 -0.000000 O\n0.735342 0.718251 -0.000000 O\n0.996865 0.003134 0.719383 O\n0.731984 0.268015 -0.000000 O\n0.996865 0.003134 0.280618 O\n0.560196 0.439803 0.361853 O\n0.283049 0.716950 -0.000000 O\n0.327349 0.672650 0.500000 O\n","nsites":17,"nelements":5,"elements":["Ba","Ca","Cu","C","O"],"chemical_system":"Ba-C-Ca-Cu-O","density":5.2290357551470015,"density_atomic":0.06135702760690742,"volume":277.06687665694847,"volume_molar":9.814916065657071,"formula_full":"Ba4 Ca1 Cu2 C1 O9","formula_reduced":"Ba4CaCu2CO9","formula_anonymous":"ABC2D4E9","energy_above_hull":1.740800394117647,"spacegroup":38},{"id":"jvasp-34644","created_at":"2022-09-04T14:37:13.258552Z","updated_at":"2022-09-04T14:37:13.258581Z","structure_string":"Ba2 C2 S2 N2 Cl2\n1.0\n0.000000 5.911953 0.028487\n4.629109 0.000000 0.000000\n0.000000 -1.392384 -8.525015\nBa C S N Cl\n2 2 2 2 2\ndirect\n0.208939 0.250000 0.300030 Ba\n0.791061 0.750000 0.699970 Ba\n0.604773 0.750000 0.151138 C\n0.395228 0.250000 0.848862 C\n0.140178 0.250000 0.896853 S\n0.859823 0.750000 0.103147 S\n0.419412 0.750000 0.186103 N\n0.580588 0.250000 0.813897 N\n0.253733 0.750000 0.553592 Cl\n0.746267 0.250000 0.446408 Cl\n","nsites":10,"nelements":5,"elements":["Ba","C","S","N","Cl"],"chemical_system":"Ba-C-Cl-N-S","density":3.288900204412417,"density_atomic":0.04289615802185405,"volume":233.12111063432206,"volume_molar":14.038881423674203,"formula_full":"Ba2 C2 S2 N2 Cl2","formula_reduced":"BaCSNCl","formula_anonymous":"ABCDE","energy_above_hull":2.5108446575,"spacegroup":11},{"id":"jvasp-112707","created_at":"2022-09-04T14:38:42.438900Z","updated_at":"2022-09-04T14:38:42.438931Z","structure_string":"Ba6 Bi2 Ru2 Ir2 O18\n1.0\n5.971137 0.003761 0.120662\n-2.966902 5.181890 0.120662\n-0.034362 -0.059312 14.895155\nBa Bi Ru Ir O\n6 2 2 2 18\ndirect\n0.340109 0.673799 0.405803 Ba\n0.325729 0.656831 0.096403 Ba\n0.656832 0.325728 0.596403 Ba\n0.673799 0.340108 0.905803 Ba\n0.994255 0.006292 0.249945 Ba\n0.006293 0.994255 0.749945 Ba\n0.998617 0.999405 0.500661 Bi\n0.999406 0.998615 0.000661 Bi\n0.681453 0.350966 0.335153 Ru\n0.350967 0.681453 0.835153 Ru\n0.649405 0.319218 0.166281 Ir\n0.319218 0.649404 0.666281 Ir\n0.504165 0.026740 0.262792 O\n0.974912 0.497501 0.239977 O\n0.494756 0.508687 0.751445 O\n0.508687 0.494755 0.251445 O\n0.213083 0.866212 0.902987 O\n0.132192 0.787653 0.593966 O\n0.787653 0.132191 0.093966 O\n0.866212 0.213082 0.402987 O\n0.597949 0.786585 0.570430 O\n0.134564 0.318836 0.601044 O\n0.318836 0.134563 0.101044 O\n0.861937 0.677305 0.397033 O\n0.216890 0.403964 0.926075 O\n0.026741 0.504165 0.762792 O\n0.786586 0.597948 0.070430 O\n0.403964 0.216890 0.426075 O\n0.677306 0.861937 0.897033 O\n0.497502 0.974911 0.739977 O\n","nsites":30,"nelements":5,"elements":["Ba","Bi","Ru","Ir","O"],"chemical_system":"Ba-Bi-Ir-O-Ru","density":7.621442598836162,"density_atomic":0.06505698616524666,"volume":461.1341804829249,"volume_molar":9.256716480384728,"formula_full":"Ba6 Bi2 Ru2 Ir2 O18","formula_reduced":"Ba3BiIrRuO9","formula_anonymous":"ABCD3E9","energy_above_hull":2.4344376873333333,"spacegroup":9},{"id":"jvasp-49860","created_at":"2022-09-04T14:37:08.565879Z","updated_at":"2022-09-04T14:37:08.565891Z","structure_string":"Ba2 Be2 P2 O8 F2\n1.0\n4.896151 0.006448 -0.000967\n-0.003463 4.896649 -0.002405\n-2.410667 -2.412979 8.452581\nBa Be P O F\n2 2 2 8 2\ndirect\n0.003538 0.003057 0.000425 Ba\n0.752651 0.254037 0.500477 Ba\n0.167089 0.652714 0.336086 Be\n0.402346 0.417696 0.836080 Be\n0.582915 0.561341 0.165385 P\n0.310993 0.833538 0.665389 P\n0.838290 0.736319 0.298695 O\n0.604740 0.604636 0.005540 O\n0.996339 0.834312 0.659305 O\n0.303784 0.684219 0.196837 O\n0.354126 0.855218 0.505487 O\n0.583725 0.246680 0.159228 O\n0.434017 0.554537 0.696918 O\n0.486031 0.088976 0.798606 O\n0.175502 0.334650 0.347444 F\n0.084207 0.425989 0.847351 F\n","nsites":16,"nelements":5,"elements":["Ba","Be","P","O","F"],"chemical_system":"Ba-Be-F-O-P","density":4.266875454687847,"density_atomic":0.07896993131828582,"volume":202.60876175151404,"volume_molar":7.62586551548076,"formula_full":"Ba2 Be2 P2 O8 F2","formula_reduced":"BaBePO4F","formula_anonymous":"ABCDE4","energy_above_hull":1.6583102315624998,"spacegroup":9},{"id":"jvasp-58008","created_at":"2022-09-04T14:37:29.305369Z","updated_at":"2022-09-04T14:37:29.305395Z","structure_string":"Ba2 Al1 Tl1 Sn2 O7\n1.0\n4.135701 0.000000 0.000000\n0.000000 4.135701 0.000000\n-0.000000 -0.000000 13.021754\nBa Al Tl Sn O\n2 1 1 2 7\ndirect\n0.500000 0.500000 0.190065 Ba\n0.500000 0.500000 0.809935 Ba\n0.500000 0.500000 0.500000 Al\n0.000000 0.000000 0.000000 Tl\n0.000000 0.000000 0.369975 Sn\n0.000000 0.000000 0.630024 Sn\n0.000000 0.000000 0.212814 O\n0.000000 0.500000 0.401120 O\n0.500000 0.000000 0.401120 O\n0.500000 0.000000 0.598880 O\n0.500000 0.500000 0.000000 O\n0.000000 0.500000 0.598880 O\n0.000000 0.000000 0.787185 O\n","nsites":13,"nelements":5,"elements":["Ba","Al","Tl","Sn","O"],"chemical_system":"Al-Ba-O-Sn-Tl","density":6.377760066802114,"density_atomic":0.05836810584558075,"volume":222.72437680936454,"volume_molar":10.317519598686715,"formula_full":"Ba2 Al1 Tl1 Sn2 O7","formula_reduced":"Ba2AlTlSn2O7","formula_anonymous":"ABC2D2E7","energy_above_hull":1.5911980953846154,"spacegroup":123},{"id":"jvasp-35116","created_at":"2022-09-04T14:37:39.671688Z","updated_at":"2022-09-04T14:37:39.671699Z","structure_string":"Ba2 Al4 Si6 N8 O8\n1.0\n0.000000 0.000000 -5.774231\n0.000000 -6.805300 2.887115\n-9.594648 0.000000 0.000000\nBa Al Si N O\n2 4 6 8 8\ndirect\n0.984244 0.968490 0.501277 Ba\n0.015755 0.031510 0.001277 Ba\n0.473405 0.946813 0.254890 Al\n0.526594 0.053187 0.754891 Al\n0.287350 0.574701 0.038136 Al\n0.712650 0.425299 0.538136 Al\n0.297786 0.595575 0.486648 Si\n0.702213 0.404425 0.986648 Si\n0.918657 0.347878 0.261597 Si\n0.429220 0.347878 0.261597 Si\n0.081342 0.652122 0.761597 Si\n0.570779 0.652122 0.761597 Si\n0.535162 0.577915 0.589222 N\n0.042753 0.577915 0.589222 N\n0.464837 0.422085 0.089222 N\n0.957246 0.422085 0.089222 N\n0.791804 0.583609 0.851125 N\n0.713200 0.426402 0.345355 N\n0.208195 0.416391 0.351125 N\n0.286799 0.573598 0.845356 N\n0.407337 0.814676 0.101393 O\n0.801112 0.100341 0.260116 O\n0.299229 0.100341 0.260116 O\n0.198887 0.899659 0.760117 O\n0.700770 0.899659 0.760117 O\n0.406989 0.813979 0.411603 O\n0.593010 0.186021 0.911603 O\n0.592662 0.185324 0.601393 O\n","nsites":28,"nelements":5,"elements":["Ba","Al","Si","N","O"],"chemical_system":"Al-Ba-N-O-Si","density":3.4844403791138303,"density_atomic":0.07426557636783046,"volume":377.02528371043155,"volume_molar":8.108926173511263,"formula_full":"Ba2 Al4 Si6 N8 O8","formula_reduced":"BaAl2Si3(NO)4","formula_anonymous":"AB2C3D4E4","energy_above_hull":3.616973883571428,"spacegroup":36},{"id":"jvasp-35119","created_at":"2022-09-04T14:37:39.929923Z","updated_at":"2022-09-04T14:37:39.929950Z","structure_string":"Ba2 Al2 Si8 N10 O6\n1.0\n-0.000000 0.000000 -5.674543\n0.000000 -6.898558 2.837271\n-9.459789 0.000000 0.000000\nBa Al Si N O\n2 2 8 10 6\ndirect\n0.974355 0.948712 0.486836 Ba\n0.025645 0.051288 0.986837 Ba\n0.471161 0.942323 0.256829 Al\n0.528839 0.057678 0.756829 Al\n0.710904 0.421809 0.545902 Si\n0.289096 0.578192 0.045902 Si\n0.576469 0.655207 0.768228 Si\n0.078738 0.655207 0.768228 Si\n0.921261 0.344793 0.268228 Si\n0.702303 0.404606 0.988663 Si\n0.297697 0.595394 0.488663 Si\n0.423530 0.344793 0.268228 Si\n0.975297 0.447359 0.099674 N\n0.527938 0.552641 0.599674 N\n0.024703 0.552641 0.599674 N\n0.472062 0.447359 0.099674 N\n0.290434 0.580870 0.860432 N\n0.592267 0.184535 0.920647 N\n0.800168 0.600336 0.864692 N\n0.199832 0.399665 0.364692 N\n0.407733 0.815466 0.420647 N\n0.709566 0.419131 0.360432 N\n0.400648 0.801297 0.101010 O\n0.800377 0.106024 0.247692 O\n0.305646 0.106024 0.247692 O\n0.199622 0.893976 0.747692 O\n0.694354 0.893976 0.747692 O\n0.599352 0.198704 0.601010 O\n","nsites":28,"nelements":5,"elements":["Ba","Al","Si","N","O"],"chemical_system":"Al-Ba-N-O-Si","density":3.5396149035353157,"density_atomic":0.07561141584573403,"volume":370.3144516844774,"volume_molar":7.96459197680765,"formula_full":"Ba2 Al2 Si8 N10 O6","formula_reduced":"BaAlSi4N5O3","formula_anonymous":"ABC3D4E5","energy_above_hull":4.009332137142858,"spacegroup":36},{"id":"jvasp-88522","created_at":"2022-09-04T14:35:55.559712Z","updated_at":"2022-09-04T14:35:55.559743Z","structure_string":"Ba1 Al3 P2 H2 O14\n1.0\n5.344648 3.229111 -3.551498\n-5.344648 3.229111 3.551498\n0.224289 0.000000 7.447078\nBa Al P H O\n1 3 2 2 14\ndirect\n0.000579 -0.000579 0.001257 Ba\n0.000582 0.999417 0.501255 Al\n0.500582 0.999416 0.501249 Al\n0.000583 0.499418 0.501249 Al\n0.276811 0.723188 0.882192 P\n0.724352 0.275647 0.120307 P\n0.326574 0.673425 0.348422 H\n0.674578 0.325422 0.654051 H\n0.024913 0.214846 0.593314 O\n0.785153 0.975087 0.593314 O\n0.688299 0.311701 0.534145 O\n0.312864 0.687135 0.468342 O\n0.882066 0.500345 0.209632 O\n0.499654 0.117933 0.209632 O\n0.134376 0.865623 0.782811 O\n0.119097 0.498491 0.792864 O\n0.866790 0.133210 0.219698 O\n0.976258 0.783986 0.409200 O\n0.655143 0.344857 0.881554 O\n0.346022 0.653978 0.120947 O\n0.501508 0.880902 0.792864 O\n0.216014 0.023741 0.409200 O\n","nsites":22,"nelements":5,"elements":["Ba","Al","P","H","O"],"chemical_system":"Al-Ba-H-O-P","density":3.206050384844031,"density_atomic":0.08390714572470069,"volume":262.1945939167326,"volume_molar":7.177148868534561,"formula_full":"Ba1 Al3 P2 H2 O14","formula_reduced":"BaAl3P2(HO7)2","formula_anonymous":"AB2C2D3E14","energy_above_hull":2.7667156531818184,"spacegroup":12},{"id":"jvasp-8413","created_at":"2022-09-04T14:37:06.222864Z","updated_at":"2022-09-04T14:37:06.222883Z","structure_string":"Ba1 Al1 Fe1 Cu1 O5\n1.0\n3.734589 0.000000 0.000000\n0.000000 3.734589 0.000000\n-0.000000 0.000000 7.790648\nBa Al Fe Cu O\n1 1 1 1 5\ndirect\n0.000000 0.000000 0.005583 Ba\n0.000000 0.000000 0.466074 Al\n0.500000 0.500000 0.687171 Fe\n0.500000 0.500000 0.272597 Cu\n0.000000 0.500000 0.615062 O\n0.500000 0.000000 0.615062 O\n0.000000 0.500000 0.299666 O\n0.500000 0.000000 0.299666 O\n0.500000 0.500000 0.927037 O\n","nsites":9,"nelements":5,"elements":["Ba","Al","Fe","Cu","O"],"chemical_system":"Al-Ba-Cu-Fe-O","density":5.558134545692788,"density_atomic":0.08282916814065329,"volume":108.65737519803389,"volume_molar":7.270555645052144,"formula_full":"Ba1 Al1 Fe1 Cu1 O5","formula_reduced":"BaAlFeCuO5","formula_anonymous":"ABCDE5","energy_above_hull":1.96729358,"spacegroup":99},{"id":"jvasp-8409","created_at":"2022-09-04T14:37:05.703370Z","updated_at":"2022-09-04T14:37:05.703379Z","structure_string":"Ba1 Al1 Cu1 Sn1 O5\n1.0\n3.803705 0.000000 0.000000\n0.000000 3.803705 0.000000\n0.000000 0.000000 8.573044\nBa Al Cu Sn O\n1 1 1 1 5\ndirect\n0.000000 0.000000 0.047871 Ba\n0.000000 0.000000 0.443035 Al\n0.499999 0.499999 0.283962 Cu\n0.499999 0.499999 0.697131 Sn\n0.000000 0.499999 0.589889 O\n0.499999 0.000000 0.589889 O\n0.000000 0.499999 0.299436 O\n0.499999 0.000000 0.299436 O\n0.499999 0.499999 0.937266 O\n","nsites":9,"nelements":5,"elements":["Ba","Al","Cu","Sn","O"],"chemical_system":"Al-Ba-Cu-O-Sn","density":5.710604511704545,"density_atomic":0.07255941988355881,"volume":124.03627281534129,"volume_molar":8.299598824886075,"formula_full":"Ba1 Al1 Cu1 Sn1 O5","formula_reduced":"BaAlCuSnO5","formula_anonymous":"ABCDE5","energy_above_hull":1.5747209355555556,"spacegroup":99},{"id":"jvasp-8419","created_at":"2022-09-04T14:37:10.071028Z","updated_at":"2022-09-04T14:37:10.071050Z","structure_string":"Ba1 Al1 Cu1 Ni1 O5\n1.0\n3.713012 0.000000 0.000000\n0.000000 3.713012 0.000000\n0.000000 -0.000000 7.458926\nBa Al Cu Ni O\n1 1 1 1 5\ndirect\n0.000000 0.000000 0.969816 Ba\n0.000000 0.000000 0.462622 Al\n0.500000 0.500000 0.249079 Cu\n0.500000 0.500000 0.687721 Ni\n0.000000 0.500000 0.628536 O\n0.500000 0.000000 0.628536 O\n0.000000 0.500000 0.304103 O\n0.500000 0.000000 0.304103 O\n0.500000 0.500000 0.953410 O\n","nsites":9,"nelements":5,"elements":["Ba","Al","Cu","Ni","O"],"chemical_system":"Al-Ba-Cu-Ni-O","density":5.918986102462162,"density_atomic":0.0875212486975701,"volume":102.8321708605818,"volume_molar":6.880775639764377,"formula_full":"Ba1 Al1 Cu1 Ni1 O5","formula_reduced":"BaAlCuNiO5","formula_anonymous":"ABCDE5","energy_above_hull":1.6654010133333337,"spacegroup":99},{"id":"jvasp-8424","created_at":"2022-09-04T14:37:06.703234Z","updated_at":"2022-09-04T14:37:06.703246Z","structure_string":"Ba1 Al1 Cu1 Mo1 O5\n1.0\n3.749299 0.000000 0.000000\n0.000000 3.749299 0.000000\n0.000000 0.000000 8.291995\nBa Al Cu Mo O\n1 1 1 1 5\ndirect\n0.000000 0.000000 0.968065 Ba\n0.000000 0.000000 0.556916 Al\n0.500000 0.500000 0.719446 Cu\n0.500000 0.500000 0.302636 Mo\n0.500000 0.000000 0.400071 O\n0.000000 0.500000 0.400071 O\n0.500000 0.000000 0.697718 O\n0.000000 0.500000 0.697718 O\n0.500000 0.500000 0.069421 O\n","nsites":9,"nelements":5,"elements":["Ba","Al","Cu","Mo","O"],"chemical_system":"Al-Ba-Cu-Mo-O","density":5.752374176567945,"density_atomic":0.07721173755845362,"volume":116.56258859848214,"volume_molar":7.799514621000339,"formula_full":"Ba1 Al1 Cu1 Mo1 O5","formula_reduced":"BaAlCuMoO5","formula_anonymous":"ABCDE5","energy_above_hull":2.305038068888889,"spacegroup":99}]}