{"count":55712,"next":"https://simmate.org/third-parties/JarvisStructure/?format=json&ordering=-nsites&page=514","previous":"https://simmate.org/third-parties/JarvisStructure/?format=json&ordering=-nsites&page=512","results":[{"id":"jvasp-22056","created_at":"2022-09-04T14:37:35.627387Z","updated_at":"2022-09-04T14:37:35.627411Z","structure_string":"Na2 Ca6 Ir2 O12\n1.0\n6.520357 0.003193 -0.051706\n-0.052142 6.520148 -0.051706\n0.003166 0.003193 6.520561\nNa Ca Ir O\n2 6 2 12\ndirect\n0.750001 0.750000 0.749999 Na\n0.250000 0.250000 0.250000 Na\n0.606248 0.893752 0.249999 Ca\n0.250001 0.606247 0.893752 Ca\n0.893753 0.249999 0.606247 Ca\n0.393753 0.106247 0.750000 Ca\n0.750001 0.393752 0.106247 Ca\n0.106248 0.750000 0.393752 Ca\n0.000000 0.000000 0.000000 Ir\n0.500001 0.500000 0.499999 Ir\n0.929579 0.707263 0.059110 O\n0.207263 0.429579 0.559111 O\n0.440890 0.792737 0.570420 O\n0.570422 0.440889 0.792736 O\n0.792738 0.570421 0.440888 O\n0.292738 0.940889 0.070420 O\n0.070422 0.292737 0.940889 O\n0.940890 0.070421 0.292736 O\n0.559112 0.207263 0.429578 O\n0.429579 0.559111 0.207262 O\n0.059112 0.929579 0.707262 O\n0.707264 0.059110 0.929578 O\n","nsites":22,"nelements":4,"elements":["Na","Ca","Ir","O"],"chemical_system":"Ca-Ir-Na-O","density":5.1686578996104755,"density_atomic":0.07936039452021719,"volume":277.2163638172875,"volume_molar":7.58834529037762,"formula_full":"Na2 Ca6 Ir2 O12","formula_reduced":"NaCa3IrO6","formula_anonymous":"ABC3D6","energy_above_hull":1.6639547599999998,"spacegroup":167},{"id":"jvasp-54741","created_at":"2022-09-04T14:37:35.638220Z","updated_at":"2022-09-04T14:37:35.638245Z","structure_string":"Sr2 H8 O12\n1.0\n3.640143 4.727629 0.400017\n-3.640143 4.727629 -0.400017\n0.215543 0.000000 6.083840\nSr H O\n2 8 12\ndirect\n0.816545 0.814592 0.768609 Sr\n0.185408 0.183455 0.268609 Sr\n-0.086264 0.614503 0.240293 H\n0.704167 0.012666 0.292648 H\n-0.012666 0.295833 0.792648 H\n0.385496 0.086263 0.740294 H\n0.669096 0.392573 0.105607 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0.006614\n-2.083257 -2.952078 7.952091\nSr Ga N\n6 6 10\ndirect\n0.668093 0.862946 0.873061 Sr\n0.331907 0.137054 0.126938 Sr\n0.183157 0.591191 0.392169 Sr\n0.655501 0.653893 0.201394 Sr\n0.344499 0.346107 0.798605 Sr\n0.816844 0.408809 0.607831 Sr\n0.124726 0.876828 0.716951 Ga\n0.875275 0.123172 0.283049 Ga\n0.908041 0.315486 0.972715 Ga\n0.289840 0.046712 0.432874 Ga\n0.710160 0.953288 0.567125 Ga\n0.091959 0.684514 0.027285 Ga\n0.234994 0.472106 0.095515 N\n0.611487 0.052113 0.380019 N\n0.739102 0.225063 0.107859 N\n0.042834 0.891003 0.223241 N\n0.159173 0.289943 0.474832 N\n0.957167 0.108997 0.776758 N\n0.260899 0.774937 0.892141 N\n0.388514 0.947886 0.619981 N\n0.765006 0.527894 0.904485 N\n0.840828 0.710057 0.525168 N\n","nsites":22,"nelements":3,"elements":["Sr","Ga","N"],"chemical_system":"Ga-N-Sr","density":5.249844526961092,"density_atomic":0.06415650038960631,"volume":342.9114722031209,"volume_molar":9.3866416083001,"formula_full":"Sr6 Ga6 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N\n0.141962 0.540985 0.948680 N\n","nsites":22,"nelements":3,"elements":["Lu","C","N"],"chemical_system":"C-Lu-N","density":4.712929012376956,"density_atomic":0.0664248843167698,"volume":331.2011789901729,"volume_molar":9.06609145343989,"formula_full":"Lu4 C6 N12","formula_reduced":"Lu2(CN2)3","formula_anonymous":"A2B3C6","energy_above_hull":5.604134636363636,"spacegroup":167},{"id":"jvasp-49941","created_at":"2022-09-04T14:38:03.995430Z","updated_at":"2022-09-04T14:38:03.995454Z","structure_string":"Na12 Cu2 O8\n1.0\n7.498902 0.000000 -0.000000\n0.000000 7.498902 0.000000\n0.000000 -0.000000 5.296991\nNa Cu O\n12 2 8\ndirect\n0.210444 0.789556 0.500000 Na\n0.289556 0.710444 0.000000 Na\n0.000000 0.500000 0.397363 Na\n0.000000 0.500000 0.897363 Na\n0.289556 0.289556 0.000000 Na\n0.710444 0.289556 0.000000 Na\n0.710444 0.710444 0.000000 Na\n0.210444 0.210444 0.500000 Na\n0.500000 0.000000 0.102637 Na\n0.500000 0.000000 0.602636 Na\n0.789556 0.789556 0.500000 Na\n0.789556 0.210444 0.500000 Na\n0.000000 0.000000 0.000000 Cu\n0.500000 0.500000 0.500000 Cu\n0.249815 0.500000 0.664047 O\n0.500000 0.750185 0.335952 O\n0.749815 0.000000 0.835952 O\n0.250185 0.000000 0.835952 O\n0.500000 0.249815 0.335952 O\n0.000000 0.250185 0.164048 O\n0.750185 0.500000 0.664047 O\n0.000000 0.749815 0.164048 O\n","nsites":22,"nelements":3,"elements":["Na","Cu","O"],"chemical_system":"Cu-Na-O","density":2.959987899067208,"density_atomic":0.07385809294321259,"volume":297.86850869430356,"volume_molar":8.153664033310818,"formula_full":"Na12 Cu2 O8","formula_reduced":"Na6CuO4","formula_anonymous":"AB4C6","energy_above_hull":0.4341632272727271,"spacegroup":137},{"id":"jvasp-22143","created_at":"2022-09-04T14:37:44.729725Z","updated_at":"2022-09-04T14:37:44.729750Z","structure_string":"Sr6 Cd2 Ir2 O12\n1.0\n6.827001 0.049024 -0.037624\n-0.038100 6.827070 -0.037624\n0.048402 0.049024 6.826933\nSr Cd Ir O\n6 2 2 12\ndirect\n0.750000 0.387477 0.112523 Sr\n0.387477 0.112522 0.750000 Sr\n0.612523 0.887477 0.250001 Sr\n0.112523 0.750000 0.387478 Sr\n0.250000 0.612522 0.887477 Sr\n0.887477 0.249999 0.612523 Sr\n0.250000 0.250000 0.250000 Cd\n0.750000 0.749999 0.750001 Cd\n0.500000 0.499999 0.500000 Ir\n0.000000 0.000000 0.000000 Ir\n0.084105 0.283928 0.947885 O\n0.783928 0.584104 0.447886 O\n0.552115 0.216071 0.415895 O\n0.415895 0.552115 0.216072 O\n0.216072 0.415894 0.552115 O\n0.716071 0.052114 0.915895 O\n0.915895 0.716071 0.052116 O\n0.052115 0.915894 0.716072 O\n0.447885 0.783928 0.584106 O\n0.584105 0.447884 0.783929 O\n0.947885 0.084104 0.283929 O\n0.283928 0.947885 0.084106 O\n","nsites":22,"nelements":4,"elements":["Sr","Cd","Ir","O"],"chemical_system":"Cd-Ir-O-Sr","density":6.9241794563212355,"density_atomic":0.06913232878220572,"volume":318.23027500359103,"volume_molar":8.711034137114249,"formula_full":"Sr6 Cd2 Ir2 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0.861371 0.000000 I\n0.500000 0.500000 0.795031 I\n","nsites":22,"nelements":3,"elements":["Tl","Cd","I"],"chemical_system":"Cd-I-Tl","density":6.803408621762064,"density_atomic":0.026645953068551588,"volume":825.6413250973225,"volume_molar":22.600583077313622,"formula_full":"Tl8 Cd2 I12","formula_reduced":"Tl4CdI6","formula_anonymous":"AB4C6","energy_above_hull":0.0,"spacegroup":128},{"id":"jvasp-30660","created_at":"2022-09-04T14:37:42.272183Z","updated_at":"2022-09-04T14:37:42.272211Z","structure_string":"Ta4 Mo2 O16\n1.0\n5.064156 0.003567 -0.016369\n-0.008447 5.674927 -1.742749\n-0.006029 -0.018475 10.045464\nTa Mo O\n4 2 16\ndirect\n0.755996 0.324642 0.277013 Ta\n0.743402 0.048041 0.722515 Ta\n0.243506 0.672465 0.722479 Ta\n0.256101 0.949065 0.276976 Ta\n0.749785 0.668240 0.999538 Mo\n0.249723 0.328864 0.999952 Mo\n0.880566 0.587523 0.385108 O\n0.618884 0.202754 0.614314 O\n0.118932 0.409587 0.614384 O\n0.380615 0.794356 0.385178 O\n0.079602 0.921026 0.661734 O\n0.419786 0.258417 0.337730 O\n0.069949 0.667037 0.107883 O\n0.569534 0.437947 0.108038 O\n0.929553 0.330070 0.891609 O\n0.919901 0.076079 0.337757 O\n0.580606 0.905054 0.118527 O\n0.919118 0.786941 0.881039 O\n0.418897 0.092043 0.880965 O\n0.080385 0.210169 0.118453 O\n0.429966 0.559155 0.891454 O\n0.579717 0.738690 0.661761 O\n","nsites":22,"nelements":3,"elements":["Ta","Mo","O"],"chemical_system":"Mo-O-Ta","density":6.743102272464757,"density_atomic":0.0762484491493605,"volume":288.5304585920816,"volume_molar":7.898050159949395,"formula_full":"Ta4 Mo2 O16","formula_reduced":"Ta2MoO8","formula_anonymous":"AB2C8","energy_above_hull":4.0376293,"spacegroup":15},{"id":"jvasp-40658","created_at":"2022-09-04T14:38:00.462394Z","updated_at":"2022-09-04T14:38:00.462419Z","structure_string":"Li8 V2 F12\n1.0\n0.000000 5.154006 0.676586\n8.865174 0.000000 0.000000\n0.000000 -2.467329 -5.430313\nLi V F\n8 2 12\ndirect\n0.244076 0.834191 0.895486 Li\n0.744076 0.665808 0.895486 Li\n0.069998 0.159912 0.593946 Li\n0.569998 0.340088 0.593946 Li\n0.430002 0.659912 0.406053 Li\n0.930002 0.840087 0.406053 Li\n0.255924 0.334191 0.104513 Li\n0.755924 0.165809 0.104513 Li\n0.500000 0.000000 0.499999 V\n-0.000000 0.500000 0.500000 V\n0.547159 0.176506 0.287974 F\n0.002361 0.668703 0.253217 F\n0.029058 0.013723 0.290249 F\n0.047159 0.323493 0.287975 F\n0.952841 0.676506 0.712024 F\n0.497639 0.168703 0.746782 F\n-0.002361 0.331297 0.746782 F\n0.452841 0.823493 0.712024 F\n0.470942 0.513723 0.709750 F\n0.529059 0.486277 0.290249 F\n0.970942 0.986276 0.709750 F\n0.502361 0.831297 0.253217 F\n","nsites":22,"nelements":3,"elements":["Li","V","F"],"chemical_system":"F-Li-V","density":2.7428567216096167,"density_atomic":0.09429185771012849,"volume":233.318130899831,"volume_molar":6.386702846085854,"formula_full":"Li8 V2 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0.659659 0.878028 N\n0.340340 -0.000000 0.878028 N\n","nsites":22,"nelements":2,"elements":["Ta","N"],"chemical_system":"N-Ta","density":13.28423483041944,"density_atomic":0.08899807932107358,"volume":247.1963458967669,"volume_molar":6.766596319763541,"formula_full":"Ta10 N12","formula_reduced":"Ta5N6","formula_anonymous":"A5B6","energy_above_hull":6.980515954545455,"spacegroup":193},{"id":"jvasp-58854","created_at":"2022-09-04T14:38:01.188386Z","updated_at":"2022-09-04T14:38:01.188407Z","structure_string":"Rb8 Cd2 Br12\n1.0\n9.239878 0.078945 0.056649\n0.056784 9.240041 0.056649\n0.078756 0.078945 9.239716\nRb Cd Br\n8 2 12\ndirect\n0.250000 0.250000 0.250000 Rb\n0.750000 0.749999 0.750001 Rb\n0.871212 0.628788 0.250000 Rb\n0.250000 0.871211 0.628789 Rb\n0.628789 0.249999 0.871212 Rb\n0.128789 0.371211 0.750000 Rb\n0.750000 0.128788 0.371212 Rb\n0.371211 0.750000 0.128789 Rb\n0.000000 0.000000 0.000000 Cd\n0.500000 0.499999 0.500000 Cd\n0.706833 0.930847 0.059804 Br\n0.430847 0.206833 0.559804 Br\n0.440196 0.569152 0.793167 Br\n0.793167 0.440195 0.569153 Br\n0.569153 0.793166 0.440197 Br\n0.069153 0.940196 0.293167 Br\n0.293167 0.069152 0.940197 Br\n0.940196 0.293166 0.069153 Br\n0.559804 0.430847 0.206834 Br\n0.206834 0.559803 0.430847 Br\n0.059804 0.706833 0.930848 Br\n0.930847 0.059803 0.706834 Br\n","nsites":22,"nelements":3,"elements":["Rb","Cd","Br"],"chemical_system":"Br-Cd-Rb","density":3.9315019667350546,"density_atomic":0.027892782628074018,"volume":788.7345014425722,"volume_molar":21.5903190452527,"formula_full":"Rb8 Cd2 Br12","formula_reduced":"Rb4CdBr6","formula_anonymous":"AB4C6","energy_above_hull":0.0,"spacegroup":167},{"id":"jvasp-12067","created_at":"2022-09-04T14:38:00.020480Z","updated_at":"2022-09-04T14:38:00.020507Z","structure_string":"Cr6 O16\n1.0\n5.629474 0.000000 0.000000\n-2.814737 4.875267 -0.000000\n-0.000000 -0.000000 8.870815\nCr O\n6 16\ndirect\n0.665863 0.832933 0.250074 Cr\n0.832933 0.167069 0.750074 Cr\n0.167068 0.334138 0.250074 Cr\n0.832931 0.665864 0.750074 Cr\n0.334138 0.167069 0.750074 Cr\n0.167068 0.832933 0.250074 Cr\n0.970358 0.485180 0.856668 O\n0.333333 0.666666 0.131778 O\n0.000000 0.000000 0.867632 O\n0.000000 0.000000 0.367632 O\n0.514819 0.029641 0.856668 O\n0.485180 0.970361 0.356667 O\n0.029640 0.514820 0.356667 O\n0.304906 0.152453 0.145170 O\n0.152453 0.847548 0.645169 O\n0.485179 0.514820 0.356667 O\n0.847546 0.695094 0.145170 O\n0.152453 0.304907 0.645169 O\n0.695093 0.847548 0.645169 O\n0.847547 0.152453 0.145170 O\n0.514819 0.485180 0.856668 O\n0.666666 0.333334 0.631778 O\n","nsites":22,"nelements":2,"elements":["Cr","O"],"chemical_system":"Cr-O","density":3.8738469229592347,"density_atomic":0.09036347747984258,"volume":243.46119265836742,"volume_molar":6.6643525990280335,"formula_full":"Cr6 O16","formula_reduced":"Cr3O8","formula_anonymous":"A3B8","energy_above_hull":3.5688336545454544,"spacegroup":186}]}