{"count":55712,"next":"https://simmate.org/third-parties/JarvisStructure/?format=json&ordering=density_atomic&page=3538","previous":"https://simmate.org/third-parties/JarvisStructure/?format=json&ordering=density_atomic&page=3536","results":[{"id":"jvasp-108687","created_at":"2022-09-04T14:38:16.378376Z","updated_at":"2022-09-04T14:38:16.378386Z","structure_string":"Ba1 Tm1 Fe1 Cu1 O5\n1.0\n3.870666 0.000000 0.000000\n0.000000 3.870666 0.000000\n-0.000000 -0.000000 7.627672\nBa Tm Fe Cu O\n1 1 1 1 5\ndirect\n0.500000 0.500000 0.730460 Ba\n0.500000 0.500000 0.204011 Tm\n0.000000 0.000000 0.441192 Fe\n0.000000 0.000000 0.002950 Cu\n0.500000 0.000000 0.025372 O\n-0.000000 0.500000 0.025372 O\n0.500000 0.000000 0.387235 O\n-0.000000 0.500000 0.387235 O\n0.000000 0.000000 0.684173 O\n","nsites":9,"nelements":5,"elements":["Ba","Tm","Fe","Cu","O"],"chemical_system":"Ba-Cu-Fe-O-Tm","density":7.347422700320451,"density_atomic":0.07875517567970876,"volume":114.27820358883214,"volume_molar":7.646660309020937,"formula_full":"Ba1 Tm1 Fe1 Cu1 O5","formula_reduced":"BaTmFeCuO5","formula_anonymous":"ABCDE5","energy_above_hull":1.8647692966666665,"spacegroup":99},{"id":"jvasp-8337","created_at":"2022-09-04T14:36:48.279594Z","updated_at":"2022-09-04T14:36:48.279618Z","structure_string":"Ti1 Zn1 F6\n1.0\n4.534182 0.068274 2.982851\n1.643141 4.226529 2.982851\n0.098199 0.068273 5.426467\nTi Zn F\n1 1 6\ndirect\n0.000000 0.000000 0.000000 Ti\n0.500000 0.499999 0.500000 Zn\n0.367548 0.110914 0.761120 F\n0.110914 0.761119 0.367548 F\n0.238881 0.632451 0.889086 F\n0.889086 0.238879 0.632453 F\n0.632452 0.889085 0.238881 F\n0.761119 0.367548 0.110915 F\n","nsites":8,"nelements":3,"elements":["Ti","Zn","F"],"chemical_system":"F-Ti-Zn","density":3.715276891584179,"density_atomic":0.07875838582747252,"volume":101.57648504280846,"volume_molar":7.64634863542284,"formula_full":"Ti1 Zn1 F6","formula_reduced":"TiZnF6","formula_anonymous":"ABC6","energy_above_hull":0.00152625,"spacegroup":148},{"id":"jvasp-111075","created_at":"2022-09-04T14:38:37.342266Z","updated_at":"2022-09-04T14:38:37.342294Z","structure_string":"Cu6 Pd1 N2\n1.0\n3.841544 0.000000 0.000000\n0.000000 3.841544 0.000000\n-0.000000 0.000000 7.743377\nCu Pd N\n6 1 2\ndirect\n-0.000000 0.499999 0.751172 Cu\n-0.000000 0.499999 0.248829 Cu\n0.499999 0.000000 0.751172 Cu\n0.499999 0.000000 0.248829 Cu\n0.000000 0.000000 0.000000 Cu\n0.000000 0.000000 0.500000 Cu\n0.499999 0.499999 -0.000000 Pd\n0.000000 0.000000 0.743319 N\n0.000000 0.000000 0.256682 N\n","nsites":9,"nelements":3,"elements":["Cu","Pd","N"],"chemical_system":"Cu-N-Pd","density":7.493972880332742,"density_atomic":0.07875905228278571,"volume":114.27257869591101,"volume_molar":7.64628393238837,"formula_full":"Cu6 Pd1 N2","formula_reduced":"Cu6PdN2","formula_anonymous":"AB2C6","energy_above_hull":1.2564249888888888,"spacegroup":123},{"id":"jvasp-116476","created_at":"2022-09-04T14:38:42.325156Z","updated_at":"2022-09-04T14:38:42.325170Z","structure_string":"Pd4 Pb2 O8\n1.0\n5.282812 0.002117 -3.930585\n-1.332169 5.112087 -3.930585\n-0.001635 -0.002117 6.584649\nPd Pb O\n4 2 8\ndirect\n0.374999 0.125000 0.750000 Pd\n0.375000 0.625000 0.250001 Pd\n0.374999 0.625000 0.750000 Pd\n0.874999 0.625001 0.250001 Pd\n0.000000 0.000000 0.000000 Pb\n0.749999 0.250000 0.500001 Pb\n0.750804 0.610437 0.457395 O\n0.153041 0.293410 0.542606 O\n0.596957 0.956590 0.957395 O\n0.999195 0.639565 0.042607 O\n0.706589 0.249196 0.859632 O\n0.389564 0.846959 0.140369 O\n0.360436 0.403042 0.359632 O\n0.043409 0.000804 0.640368 O\n","nsites":14,"nelements":3,"elements":["Pd","Pb","O"],"chemical_system":"O-Pb-Pd","density":9.04339461642689,"density_atomic":0.07875920536548928,"volume":177.75699913466272,"volume_molar":7.646269070458123,"formula_full":"Pd4 Pb2 O8","formula_reduced":"Pd2PbO4","formula_anonymous":"AB2C4","energy_above_hull":2.032223745714285,"spacegroup":88},{"id":"jvasp-18706","created_at":"2022-09-04T14:35:57.157154Z","updated_at":"2022-09-04T14:35:57.157180Z","structure_string":"Ti1 Ga1 Ni2\n1.0\n3.599874 -0.000000 2.078389\n1.199958 3.393994 2.078389\n-0.000000 -0.000000 4.156776\nTi Ga Ni\n1 1 2\ndirect\n0.500000 0.499999 0.500001 Ti\n0.000000 0.000000 0.000000 Ga\n0.250000 0.250000 0.250001 Ni\n0.750000 0.749999 0.750002 Ni\n","nsites":4,"nelements":3,"elements":["Ti","Ga","Ni"],"chemical_system":"Ga-Ni-Ti","density":7.682792261471678,"density_atomic":0.07875987151822648,"volume":50.787284474865174,"volume_molar":7.646204398145019,"formula_full":"Ti1 Ga1 Ni2","formula_reduced":"TiGaNi2","formula_anonymous":"ABC2","energy_above_hull":1.2280163645833335,"spacegroup":225},{"id":"jvasp-99870","created_at":"2022-09-04T14:36:33.420447Z","updated_at":"2022-09-04T14:36:33.420466Z","structure_string":"Ba1 Sr1 Co2 O6\n1.0\n5.562182 0.000000 -0.000000\n-2.781091 4.816991 0.000000\n-0.000000 -0.000000 4.738734\nBa Sr Co O\n1 1 2 6\ndirect\n0.000000 0.000000 0.000000 Ba\n0.333333 0.666667 0.500000 Sr\n0.666667 0.333333 0.248662 Co\n0.666667 0.333333 0.751337 Co\n0.363200 0.181600 0.500000 O\n0.818399 0.181600 0.500000 O\n0.818400 0.636799 0.500000 O\n0.973040 0.486520 0.000000 O\n0.513480 0.486520 0.000000 O\n0.513480 0.026960 0.000000 O\n","nsites":10,"nelements":4,"elements":["Ba","Sr","Co","O"],"chemical_system":"Ba-Co-O-Sr","density":5.739076905607877,"density_atomic":0.07876198242974386,"volume":126.96480829339278,"volume_molar":7.645999471092267,"formula_full":"Ba1 Sr1 Co2 O6","formula_reduced":"BaSr(CoO3)2","formula_anonymous":"ABC2D6","energy_above_hull":2.220922508,"spacegroup":187},{"id":"jvasp-58467","created_at":"2022-09-04T14:37:03.775370Z","updated_at":"2022-09-04T14:37:03.775395Z","structure_string":"Y2 Mn4 O8\n1.0\n5.492388 0.032215 3.075741\n1.817617 5.183014 3.075741\n0.045155 0.032215 6.294798\nY Mn O\n2 4 8\ndirect\n0.617173 0.617173 0.617172 Y\n0.382827 0.382828 0.382827 Y\n0.000000 0.500000 -0.000000 Mn\n0.000000 0.000000 0.000000 Mn\n0.500000 0.000000 -0.000000 Mn\n-0.000001 0.000000 0.500000 Mn\n0.197327 0.757688 0.757688 O\n0.242311 0.242313 0.802673 O\n0.242313 0.802673 0.242312 O\n0.246152 0.246152 0.246152 O\n0.757688 0.757688 0.197326 O\n0.802673 0.242313 0.242312 O\n0.757687 0.197328 0.757688 O\n0.753848 0.753849 0.753848 O\n","nsites":14,"nelements":3,"elements":["Y","Mn","O"],"chemical_system":"Mn-O-Y","density":4.909859238537159,"density_atomic":0.07876375923153167,"volume":177.74672179937482,"volume_molar":7.645826987888541,"formula_full":"Y2 Mn4 O8","formula_reduced":"YMn2O4","formula_anonymous":"AB2C4","energy_above_hull":3.09968056182266,"spacegroup":166},{"id":"jvasp-116650","created_at":"2022-09-04T14:38:44.078707Z","updated_at":"2022-09-04T14:38:44.078725Z","structure_string":"Sr6 Co4 O13\n1.0\n10.441364 -0.043258 0.000000\n-9.031912 5.239133 0.000000\n-0.000000 -0.000000 5.376224\nSr Co O\n6 4 13\ndirect\n0.500000 0.500000 -0.000000 Sr\n0.000000 0.000000 0.500000 Sr\n0.179411 0.820588 0.500000 Sr\n0.682377 0.317622 -0.000000 Sr\n0.317622 0.682377 -0.000000 Sr\n0.820588 0.179411 0.500000 Sr\n0.393632 0.606367 0.500000 Co\n0.905397 0.094602 -0.000000 Co\n0.094602 0.905397 -0.000000 Co\n0.606367 0.393632 0.500000 Co\n0.189819 0.810180 -0.000000 O\n0.810180 0.189819 -0.000000 O\n0.300237 0.699762 0.500000 O\n0.832566 0.653940 0.255795 O\n0.346059 0.167433 0.744204 O\n0.167433 0.346059 0.255795 O\n0.167433 0.346059 0.744204 O\n0.346059 0.167433 0.255795 O\n0.832566 0.653940 0.744204 O\n0.699762 0.300237 0.500000 O\n0.653940 0.832566 0.744204 O\n0.653940 0.832566 0.255795 O\n0.000000 0.000000 0.000000 O\n","nsites":23,"nelements":3,"elements":["Sr","Co","O"],"chemical_system":"Co-O-Sr","density":5.513040442797503,"density_atomic":0.07876744363482804,"volume":291.99881243613515,"volume_molar":7.645469348883672,"formula_full":"Sr6 Co4 O13","formula_reduced":"Sr6Co4O13","formula_anonymous":"A4B6C13","energy_above_hull":2.178973780869565,"spacegroup":65},{"id":"jvasp-105464","created_at":"2022-09-04T14:36:56.139175Z","updated_at":"2022-09-04T14:36:56.139209Z","structure_string":"La1 Pd1 O4\n1.0\n3.651541 -0.015525 5.159781\n1.629757 3.267703 5.159781\n-0.025211 -0.015525 6.321112\nLa Pd O\n1 1 4\ndirect\n0.000000 0.000000 0.000000 La\n0.500001 0.499998 0.500000 Pd\n0.612225 0.612221 0.612224 O\n0.157559 0.157558 0.157559 O\n0.842444 0.842438 0.842442 O\n0.387778 0.387775 0.387777 O\n","nsites":6,"nelements":3,"elements":["La","Pd","O"],"chemical_system":"La-O-Pd","density":6.743071641309372,"density_atomic":0.07876760034632226,"volume":76.17345169358262,"volume_molar":7.645454137896915,"formula_full":"La1 Pd1 O4","formula_reduced":"LaPdO4","formula_anonymous":"ABC4","energy_above_hull":2.1661324500000005,"spacegroup":166},{"id":"jvasp-53185","created_at":"2022-09-04T14:38:13.212340Z","updated_at":"2022-09-04T14:38:13.212361Z","structure_string":"Y3 U2 O10\n1.0\n5.343926 0.002075 0.001090\n2.668055 5.890657 -0.016245\n2.669300 0.152540 6.050642\nY U O\n3 2 10\ndirect\n0.002274 0.997489 0.995897 Y\n0.399779 0.798987 0.399364 Y\n0.797315 0.600485 0.802830 Y\n0.200996 0.400612 0.195369 U\n0.598600 0.197361 0.603357 U\n0.453635 0.914438 0.691251 O\n0.860876 0.683549 0.107567 O\n0.938729 0.914402 0.691201 O\n0.255709 0.483517 0.503327 O\n0.345990 0.683558 0.107430 O\n0.634320 0.298927 0.899401 O\n0.754941 0.483475 0.503451 O\n0.044593 0.114488 0.295312 O\n0.165250 0.299044 0.899328 O\n0.543849 0.114467 0.295365 O\n","nsites":15,"nelements":3,"elements":["Y","U","O"],"chemical_system":"O-U-Y","density":7.87199392121895,"density_atomic":0.07876805036898979,"volume":190.43254123635583,"volume_molar":7.6454104573989285,"formula_full":"Y3 U2 O10","formula_reduced":"Y3U2O10","formula_anonymous":"A2B3C10","energy_above_hull":3.45818489,"spacegroup":12},{"id":"jvasp-105249","created_at":"2022-09-04T14:36:57.725943Z","updated_at":"2022-09-04T14:36:57.725959Z","structure_string":"Sc2 Ni6\n1.0\n5.284783 -0.000000 0.000000\n-2.642391 4.576757 0.000000\n0.000000 -0.000000 4.198945\nSc Ni\n2 6\ndirect\n0.333333 0.666667 0.749999 Sc\n0.666666 0.333334 0.250000 Sc\n0.157226 0.314452 0.250000 Ni\n0.685549 0.842775 0.250000 Ni\n0.157226 0.842775 0.250000 Ni\n0.842774 0.685549 0.749999 Ni\n0.314451 0.157226 0.749999 Ni\n0.842774 0.157226 0.749999 Ni\n","nsites":8,"nelements":2,"elements":["Sc","Ni"],"chemical_system":"Ni-Sc","density":7.227983060682886,"density_atomic":0.07877071492710709,"volume":101.56058641086408,"volume_molar":7.645151837929584,"formula_full":"Sc2 Ni6","formula_reduced":"ScNi3","formula_anonymous":"AB3","energy_above_hull":1.3114231125000002,"spacegroup":194},{"id":"jvasp-92484","created_at":"2022-09-04T14:35:53.354219Z","updated_at":"2022-09-04T14:35:53.354236Z","structure_string":"Rb1 Mo1 O3\n1.0\n3.989033 -0.000000 0.000000\n0.000000 3.989033 0.000000\n-0.000000 -0.000000 3.989033\nRb Mo O\n1 1 3\ndirect\n0.500000 0.500000 0.500000 Rb\n0.000000 0.000000 0.000000 Mo\n0.500000 0.000000 0.000000 O\n0.000000 0.500000 0.000000 O\n0.000000 0.000000 0.500000 O\n","nsites":5,"nelements":3,"elements":["Rb","Mo","O"],"chemical_system":"Mo-O-Rb","density":6.001378009997157,"density_atomic":0.07877113750874251,"volume":63.4750259820111,"volume_molar":7.645110824166561,"formula_full":"Rb1 Mo1 O3","formula_reduced":"RbMoO3","formula_anonymous":"ABC3","energy_above_hull":2.17570928,"spacegroup":221}]}