{"count":55712,"next":"https://simmate.org/third-parties/JarvisStructure/?format=json&ordering=-elements&page=85","previous":"https://simmate.org/third-parties/JarvisStructure/?format=json&ordering=-elements&page=83","results":[{"id":"jvasp-35125","created_at":"2022-09-04T14:37:30.093711Z","updated_at":"2022-09-04T14:37:30.093737Z","structure_string":"Ba1 Sr2 Mg1 Si2 O8\n1.0\n2.763842 -4.787115 -0.000000\n2.763842 4.787115 0.000000\n0.000000 0.000000 7.065503\nBa Sr Mg Si O\n1 2 1 2 8\ndirect\n0.000000 0.000000 0.500000 Ba\n0.333332 0.666667 0.839138 Sr\n0.666667 0.333332 0.160862 Sr\n0.000000 0.000000 0.000000 Mg\n0.333332 0.666667 0.271413 Si\n0.666667 0.333332 0.728587 Si\n0.333332 0.666667 0.500489 O\n0.666667 0.333332 0.499511 O\n0.174659 0.825341 0.176962 O\n0.174659 0.349319 0.176962 O\n0.650680 0.825340 0.176962 O\n0.825341 0.174659 0.823037 O\n0.825340 0.650680 0.823037 O\n0.349319 0.174659 0.823037 O\n","nsites":14,"nelements":5,"elements":["Ba","Sr","Mg","Si","O"],"chemical_system":"Ba-Mg-O-Si-Sr","density":4.627628730730641,"density_atomic":0.07488035283316082,"volume":186.9649309905507,"volume_molar":8.042350940062732,"formula_full":"Ba1 Sr2 Mg1 Si2 O8","formula_reduced":"BaSr2Mg(SiO4)2","formula_anonymous":"ABC2D2E8","energy_above_hull":1.8286980599999996,"spacegroup":164},{"id":"jvasp-117035","created_at":"2022-09-04T14:38:47.805552Z","updated_at":"2022-09-04T14:38:47.805570Z","structure_string":"Ba2 Sr2 Mg2 Si4 O14\n1.0\n8.155322 -0.000000 0.000000\n0.000000 5.298872 0.089848\n-0.000000 -0.006828 8.161398\nBa Sr Mg Si O\n2 2 2 4 14\ndirect\n0.166536 0.487531 0.088912 Ba\n0.666536 0.512468 0.911088 Ba\n0.833375 0.495831 0.416141 Sr\n0.333375 0.504168 0.583860 Sr\n0.500232 0.997891 0.252667 Mg\n0.000232 0.002108 0.747333 Mg\n0.637837 0.054991 0.600492 Si\n0.137837 0.945008 0.399508 Si\n0.361564 0.043472 0.876397 Si\n0.861564 0.956528 0.123604 Si\n0.139428 0.250273 0.405131 O\n0.639428 0.749726 0.594869 O\n0.809534 0.188541 0.661166 O\n0.309534 0.811458 0.338835 O\n0.193348 0.190515 0.818508 O\n0.693348 0.809484 0.181493 O\n0.499533 0.151982 0.739283 O\n0.422601 0.164866 0.050398 O\n0.077996 0.793609 0.566730 O\n0.577995 0.206390 0.433271 O\n0.358015 0.738374 0.871835 O\n0.999532 0.848017 0.260718 O\n0.922601 0.835133 0.949603 O\n0.858015 0.261625 0.128165 O\n","nsites":24,"nelements":5,"elements":["Ba","Sr","Mg","Si","O"],"chemical_system":"Ba-Mg-O-Si-Sr","density":3.930572745224369,"density_atomic":0.0680480965802425,"volume":352.6917166845238,"volume_molar":8.849829844834344,"formula_full":"Ba2 Sr2 Mg2 Si4 O14","formula_reduced":"BaSrMgSi2O7","formula_anonymous":"ABCD2E7","energy_above_hull":1.9177410858333332,"spacegroup":4},{"id":"jvasp-108153","created_at":"2022-09-04T14:38:18.713082Z","updated_at":"2022-09-04T14:38:18.713107Z","structure_string":"Ba1 Sr1 La1 Bi1 O6\n1.0\n5.425472 -0.000000 3.132397\n1.808491 5.115184 3.132397\n-0.000000 -0.000000 6.264795\nBa Sr La Bi O\n1 1 1 1 6\ndirect\n0.750000 0.749999 0.750000 Ba\n0.250000 0.250000 0.250000 Sr\n0.500000 0.500000 0.500000 La\n0.000000 0.000000 0.000000 Bi\n0.761110 0.761110 0.238890 O\n0.238890 0.761110 0.238890 O\n0.761110 0.238889 0.238890 O\n0.238889 0.238889 0.761110 O\n0.761110 0.238889 0.761110 O\n0.238890 0.761110 0.761111 O\n","nsites":10,"nelements":5,"elements":["Ba","Sr","La","Bi","O"],"chemical_system":"Ba-Bi-La-O-Sr","density":6.387908946094525,"density_atomic":0.05751675139567158,"volume":173.86239238735152,"volume_molar":10.470237998269832,"formula_full":"Ba1 Sr1 La1 Bi1 O6","formula_reduced":"BaSrLaBiO6","formula_anonymous":"ABCDE6","energy_above_hull":1.717339258,"spacegroup":216},{"id":"jvasp-113119","created_at":"2022-09-04T14:38:46.471877Z","updated_at":"2022-09-04T14:38:46.471913Z","structure_string":"Ba1 Sr1 Er1 Cu3 O7\n1.0\n3.754066 -0.000000 0.000000\n0.000000 3.897642 0.000000\n-0.000000 0.000000 11.545735\nBa Sr Er Cu O\n1 1 1 3 7\ndirect\n0.500000 0.500000 0.180308 Ba\n0.500000 0.500000 0.817979 Sr\n0.500000 0.500000 0.503892 Er\n0.000000 0.000000 0.356703 Cu\n0.000000 0.000000 0.651374 Cu\n0.000000 0.000000 0.995068 Cu\n0.000000 0.000000 0.157806 O\n0.000000 0.000000 0.833194 O\n0.500000 0.000000 0.384498 O\n0.500000 0.000000 0.622827 O\n-0.000000 0.500000 0.381510 O\n-0.000000 0.500000 0.628467 O\n-0.000000 0.500000 0.986370 O\n","nsites":13,"nelements":5,"elements":["Ba","Sr","Er","Cu","O"],"chemical_system":"Ba-Cu-Er-O-Sr","density":6.829805699680702,"density_atomic":0.07695164653994127,"volume":168.93725585523933,"volume_molar":7.82587641821835,"formula_full":"Ba1 Sr1 Er1 Cu3 O7","formula_reduced":"BaSrErCu3O7","formula_anonymous":"ABCD3E7","energy_above_hull":1.367572163846154,"spacegroup":25},{"id":"jvasp-99453","created_at":"2022-09-04T14:36:35.510422Z","updated_at":"2022-09-04T14:36:35.510443Z","structure_string":"Ba1 Sr1 Bi1 Sb1 O6\n1.0\n5.249682 -0.007112 2.898626\n1.707395 4.964274 2.898626\n-0.009981 -0.007112 5.996757\nBa Sr Bi Sb O\n1 1 1 1 6\ndirect\n0.749560 0.749561 0.749563 Ba\n0.261868 0.261868 0.261868 Sr\n0.000908 0.000908 0.000908 Bi\n0.500577 0.500577 0.500578 Sb\n0.812326 0.276491 0.646551 O\n0.276490 0.646550 0.812328 O\n0.646549 0.812326 0.276492 O\n0.206029 0.717078 0.328613 O\n0.717077 0.328611 0.206031 O\n0.328611 0.206030 0.717079 O\n","nsites":10,"nelements":5,"elements":["Ba","Sr","Bi","Sb","O"],"chemical_system":"Ba-Bi-O-Sb-Sr","density":6.911568200151691,"density_atomic":0.06386906746498403,"volume":156.57031481604866,"volume_molar":9.428884746597586,"formula_full":"Ba1 Sr1 Bi1 Sb1 O6","formula_reduced":"BaSrBiSbO6","formula_anonymous":"ABCDE6","energy_above_hull":1.713613368,"spacegroup":146},{"id":"jvasp-110944","created_at":"2022-09-04T14:38:48.275021Z","updated_at":"2022-09-04T14:38:48.275048Z","structure_string":"Ba1 Sm1 Fe1 Cu1 O5\n1.0\n3.924349 0.000000 0.000000\n0.000000 3.924349 0.000000\n-0.000000 -0.000000 7.683975\nBa Sm Fe Cu O\n1 1 1 1 5\ndirect\n0.500000 0.500000 0.727170 Ba\n0.500000 0.500000 0.203212 Sm\n0.000000 0.000000 0.448602 Fe\n0.000000 0.000000 0.993677 Cu\n0.500000 0.000000 0.398359 O\n-0.000000 0.500000 0.398359 O\n0.500000 0.000000 0.015112 O\n-0.000000 0.500000 0.015112 O\n0.000000 0.000000 0.688393 O\n","nsites":9,"nelements":5,"elements":["Ba","Sm","Fe","Cu","O"],"chemical_system":"Ba-Cu-Fe-O-Sm","density":6.834767525957598,"density_atomic":0.07605387036016185,"volume":118.33717281421004,"volume_molar":7.918256798084646,"formula_full":"Ba1 Sm1 Fe1 Cu1 O5","formula_reduced":"BaSmFeCuO5","formula_anonymous":"ABCDE5","energy_above_hull":1.892336477222222,"spacegroup":99},{"id":"jvasp-52404","created_at":"2022-09-04T14:36:35.067141Z","updated_at":"2022-09-04T14:36:35.067170Z","structure_string":"Ba1 Si1 P4 H2 O14\n1.0\n4.629662 0.000802 0.002342\n1.639266 6.441255 -0.035343\n0.714847 2.146781 8.717368\nBa Si P H O\n1 1 4 2 14\ndirect\n0.000000 0.000000 0.000000 Ba\n0.000000 -0.000000 0.500000 Si\n0.412076 0.173378 0.665042 P\n0.587926 0.826621 0.334958 P\n0.090271 0.567256 0.739877 P\n0.909730 0.432742 0.260123 P\n0.542596 0.546962 0.834705 H\n0.457406 0.453037 0.165295 H\n0.879909 0.445705 0.837005 O\n0.120093 0.554294 0.162995 O\n0.920233 0.775730 0.637919 O\n0.079769 0.224268 0.362082 O\n0.716306 0.570149 0.372459 O\n0.283695 0.429850 0.627541 O\n0.146826 0.078150 0.649173 O\n0.356281 0.848488 0.463428 O\n0.853175 0.921849 0.350828 O\n0.316826 0.619316 0.836391 O\n0.488351 0.902713 0.171457 O\n0.511651 0.097285 0.828543 O\n0.643721 0.151511 0.536573 O\n0.683176 0.380683 0.163609 O\n","nsites":22,"nelements":5,"elements":["Ba","Si","P","H","O"],"chemical_system":"Ba-H-O-P-Si","density":3.2874086957406266,"density_atomic":0.08451902434742704,"volume":260.2964263946775,"volume_molar":7.1251896321533055,"formula_full":"Ba1 Si1 P4 H2 O14","formula_reduced":"BaSiP4(HO7)2","formula_anonymous":"ABC2D4E14","energy_above_hull":2.9945243440909093,"spacegroup":2},{"id":"jvasp-116714","created_at":"2022-09-04T14:38:44.370602Z","updated_at":"2022-09-04T14:38:44.370630Z","structure_string":"Ba4 Sc1 Ti4 Bi1 O15\n1.0\n14.475448 -0.001132 0.000000\n-13.345411 5.607013 0.000000\n-0.000000 -0.000000 4.026793\nBa Sc Ti Bi O\n4 1 4 1 15\ndirect\n0.599984 0.400016 -0.000000 Ba\n0.200021 0.799979 -0.000000 Ba\n0.799979 0.200021 -0.000000 Ba\n0.400016 0.599984 -0.000000 Ba\n0.500000 0.500000 0.500000 Sc\n0.099652 0.900347 0.500000 Ti\n0.699970 0.300030 0.500000 Ti\n0.300030 0.699970 0.500000 Ti\n0.900348 0.099653 0.500000 Ti\n0.000000 0.000000 0.000000 Bi\n0.402040 0.102133 0.500000 O\n0.819874 0.720135 0.500000 O\n0.180126 0.279865 0.500000 O\n0.500000 0.000000 0.500000 O\n0.897867 0.597960 0.500000 O\n0.279865 0.180126 0.500000 O\n0.098003 0.901997 -0.000000 O\n0.102133 0.402040 0.500000 O\n0.299906 0.700094 -0.000000 O\n0.700094 0.299906 -0.000000 O\n-0.000000 0.500000 0.500000 O\n0.500000 0.500000 -0.000000 O\n0.901997 0.098003 -0.000000 O\n0.720135 0.819874 0.500000 O\n0.597960 0.897867 0.500000 O\n","nsites":25,"nelements":5,"elements":["Ba","Sc","Ti","Bi","O"],"chemical_system":"Ba-Bi-O-Sc-Ti","density":6.274363440575262,"density_atomic":0.07650643572502186,"volume":326.7698954092513,"volume_molar":7.8714172251399575,"formula_full":"Ba4 Sc1 Ti4 Bi1 O15","formula_reduced":"Ba4ScTi4BiO15","formula_anonymous":"ABC4D4E15","energy_above_hull":2.6330199705333333,"spacegroup":65},{"id":"jvasp-95707","created_at":"2022-09-04T14:36:05.660261Z","updated_at":"2022-09-04T14:36:05.660285Z","structure_string":"Ba6 Sc2 C2 O6 F14\n1.0\n5.967742 0.000000 0.000000\n0.000000 8.821309 -1.417709\n-0.000000 -0.040618 8.934413\nBa Sc C O F\n6 2 2 6 14\ndirect\n0.250000 0.844246 0.602393 Ba\n0.750000 0.602394 0.844246 Ba\n0.250000 0.397606 0.155754 Ba\n0.750000 0.094312 0.905688 Ba\n0.250000 0.905688 0.094312 Ba\n0.750000 0.155754 0.397606 Ba\n0.250000 0.268261 0.731739 Sc\n0.750000 0.731739 0.268261 Sc\n0.250000 0.461610 0.538389 C\n0.750000 0.538390 0.461610 C\n0.750000 0.493306 0.314351 O\n0.250000 0.314352 0.493306 O\n0.750000 0.444918 0.555081 O\n0.750000 0.685648 0.506693 O\n0.250000 0.555082 0.444918 O\n0.250000 0.506694 0.685648 O\n0.000000 0.160870 0.160870 F\n0.000000 0.839130 0.839130 F\n0.996948 0.884126 0.358371 F\n0.003052 0.115874 0.641629 F\n0.496948 0.358371 0.884126 F\n0.003052 0.358371 0.884126 F\n0.503052 0.641629 0.115874 F\n0.500000 0.839130 0.839130 F\n0.750000 0.885638 0.114362 F\n0.250000 0.114362 0.885637 F\n0.500000 0.160870 0.160870 F\n0.996948 0.641629 0.115874 F\n0.496948 0.115874 0.641629 F\n0.503052 0.884126 0.358371 F\n","nsites":30,"nelements":5,"elements":["Ba","Sc","C","O","F"],"chemical_system":"Ba-C-F-O-Sc","density":4.592583978494078,"density_atomic":0.06383069708010443,"volume":469.9933005956594,"volume_molar":9.434552708146843,"formula_full":"Ba6 Sc2 C2 O6 F14","formula_reduced":"Ba3ScCO3F7","formula_anonymous":"ABC3D3E7","energy_above_hull":0.930292375833333,"spacegroup":63},{"id":"jvasp-34425","created_at":"2022-09-04T14:38:29.016792Z","updated_at":"2022-09-04T14:38:29.016815Z","structure_string":"Ba6 Ru2 Pt1 Cl2 O12\n1.0\n2.926188 -5.068307 -0.000000\n2.926188 5.068307 0.000000\n-0.000000 -0.000000 15.241614\nBa Ru Pt Cl O\n6 2 1 2 12\ndirect\n0.666667 0.333333 0.784769 Ba\n0.333333 0.666667 0.919153 Ba\n0.666667 0.333333 0.366453 Ba\n0.666667 0.333333 0.080847 Ba\n0.333333 0.666667 0.633547 Ba\n0.333333 0.666667 0.215230 Ba\n0.000000 0.000000 0.181667 Ru\n0.000000 0.000000 0.818333 Ru\n0.000000 0.000000 0.000000 Pt\n0.666667 0.333333 0.577354 Cl\n0.333333 0.666667 0.422646 Cl\n0.838769 0.677537 0.243129 O\n0.152420 0.847580 0.086906 O\n0.847580 0.152420 0.913094 O\n0.161231 0.838769 0.756871 O\n0.322464 0.161231 0.243129 O\n0.304840 0.152421 0.913094 O\n0.677537 0.838769 0.756871 O\n0.161231 0.322464 0.756871 O\n0.695160 0.847580 0.086906 O\n0.847580 0.695160 0.913094 O\n0.838769 0.161231 0.243129 O\n0.152421 0.304840 0.086906 O\n","nsites":23,"nelements":5,"elements":["Ba","Ru","Pt","Cl","O"],"chemical_system":"Ba-Cl-O-Pt-Ru","density":5.451069532607391,"density_atomic":0.05087468618186977,"volume":452.091240774995,"volume_molar":11.83720473178292,"formula_full":"Ba6 Ru2 Pt1 Cl2 O12","formula_reduced":"Ba6Ru2Pt(ClO6)2","formula_anonymous":"AB2C2D6E12","energy_above_hull":2.079718624130434,"spacegroup":164},{"id":"jvasp-111387","created_at":"2022-09-04T14:38:26.156296Z","updated_at":"2022-09-04T14:38:26.156323Z","structure_string":"Ba1 Pr1 Nb1 Co1 O6\n1.0\n4.897404 -0.000000 2.827517\n1.632468 4.617317 2.827517\n-0.000000 -0.000000 5.655035\nBa Pr Nb Co O\n1 1 1 1 6\ndirect\n0.750000 0.750001 0.750000 Ba\n0.250000 0.250000 0.250000 Pr\n0.500000 0.500000 0.500000 Nb\n0.000000 0.000000 0.000000 Co\n0.751206 0.248793 0.248794 O\n0.248793 0.751207 0.751206 O\n0.248793 0.751207 0.248793 O\n0.751206 0.248793 0.751207 O\n0.751206 0.751207 0.248794 O\n0.248793 0.248793 0.751206 O\n","nsites":10,"nelements":5,"elements":["Ba","Pr","Nb","Co","O"],"chemical_system":"Ba-Co-Nb-O-Pr","density":6.831282239280989,"density_atomic":0.07820041887047931,"volume":127.87655289369562,"volume_molar":7.700906014294203,"formula_full":"Ba1 Pr1 Nb1 Co1 O6","formula_reduced":"BaPrNbCoO6","formula_anonymous":"ABCDE6","energy_above_hull":2.691610712,"spacegroup":216},{"id":"jvasp-57071","created_at":"2022-09-04T14:37:40.437075Z","updated_at":"2022-09-04T14:37:40.437100Z","structure_string":"Ba1 Pb2 C2 O6 F2\n1.0\n4.924220 -0.022563 6.705105\n2.181344 4.414768 6.705105\n-0.036502 -0.022563 8.318956\nBa Pb C O F\n1 2 2 6 2\ndirect\n0.000000 0.000000 0.000000 Ba\n0.214478 0.214479 0.214478 Pb\n0.785521 0.785523 0.785523 Pb\n0.431161 0.431162 0.431162 C\n0.568838 0.568840 0.568839 C\n0.719179 0.288600 0.288600 O\n0.280820 0.711402 0.711401 O\n0.288599 0.288600 0.719179 O\n0.711400 0.711402 0.280822 O\n0.711400 0.280822 0.711401 O\n0.288599 0.719180 0.288600 O\n0.311364 0.311365 0.311365 F\n0.688635 0.688637 0.688636 F\n","nsites":13,"nelements":5,"elements":["Ba","Pb","C","O","F"],"chemical_system":"Ba-C-F-O-Pb","density":6.448689705972522,"density_atomic":0.0711320737395269,"volume":182.7586251400979,"volume_molar":8.466139736136494,"formula_full":"Ba1 Pb2 C2 O6 F2","formula_reduced":"BaPb2C2(O3F)2","formula_anonymous":"AB2C2D2E6","energy_above_hull":2.342168398076922,"spacegroup":166}]}