{"count":55712,"next":"https://simmate.org/third-parties/JarvisStructure/?format=json&ordering=formula_anonymous&page=4393","previous":"https://simmate.org/third-parties/JarvisStructure/?format=json&ordering=formula_anonymous&page=4391","results":[{"id":"jvasp-33370","created_at":"2022-09-04T14:37:52.832490Z","updated_at":"2022-09-04T14:37:52.832525Z","structure_string":"Cu2 Si2 H16 O8 F12\n1.0\n6.566126 0.069512 0.000000\n-2.169442 5.883782 0.000000\n0.000000 0.000000 9.311457\nCu Si H O F\n2 2 16 8 12\ndirect\n0.000000 0.500000 0.500000 Cu\n0.000000 0.000000 0.000000 Cu\n0.500000 0.500000 0.000000 Si\n0.500000 -0.000000 0.500000 Si\n0.245001 0.295121 0.599394 H\n0.245001 0.795121 0.900607 H\n0.755000 0.704878 0.400606 H\n0.319739 0.558546 0.654307 H\n0.680261 0.941453 0.154306 H\n0.680261 0.441453 0.345694 H\n0.319739 0.058546 0.845694 H\n0.755000 0.204878 0.099394 H\n0.964077 0.213252 0.288645 H\n0.964077 0.713252 0.211355 H\n0.035924 0.786747 0.711356 H\n0.201664 0.894149 0.213662 H\n0.798336 0.605850 0.713662 H\n0.798336 0.105850 0.786339 H\n0.201664 0.394149 0.286339 H\n0.035923 0.286747 0.788645 H\n0.192536 0.418670 0.636097 O\n0.807464 0.081329 0.136097 O\n0.192536 0.918670 0.863903 O\n0.807464 0.581329 0.363903 O\n0.919821 0.684117 0.649726 O\n0.919821 0.184117 0.850274 O\n0.080180 0.315882 0.350274 O\n0.080180 0.815882 0.149726 O\n0.686415 0.213889 0.593165 F\n0.707092 0.930111 0.424075 F\n0.292908 0.569888 0.924075 F\n0.292908 0.069888 0.575925 F\n0.707092 0.430111 0.075925 F\n0.509912 0.181114 0.358706 F\n0.490088 0.318885 0.858706 F\n0.490088 0.818885 0.641295 F\n0.509912 0.681114 0.141294 F\n0.313586 0.786110 0.406835 F\n0.686415 0.713889 0.906835 F\n0.313586 0.286110 0.093165 F\n","nsites":40,"nelements":5,"elements":["Cu","Si","H","O","F"],"chemical_system":"Cu-F-H-O-Si","density":2.553601344190086,"density_atomic":0.11076043239267647,"volume":361.1397963686969,"volume_molar":5.437086719425074,"formula_full":"Cu2 Si2 H16 O8 F12","formula_reduced":"CuSiH8(O2F3)2","formula_anonymous":"ABC4D6E8","energy_above_hull":1.94135423725,"spacegroup":14},{"id":"jvasp-104012","created_at":"2022-09-04T14:36:52.195431Z","updated_at":"2022-09-04T14:36:52.195451Z","structure_string":"H8 Pb1 C6 S1 O4\n1.0\n4.289546 0.014421 0.315049\n2.121241 4.621675 0.170634\n-0.080894 -0.018050 10.160896\nH Pb C S O\n8 1 6 1 4\ndirect\n0.055210 0.694850 0.318612 H\n0.703966 0.678411 0.412849 H\n0.475216 0.274781 0.436342 H\n0.227514 0.575186 0.539257 H\n0.652090 0.276799 0.744027 H\n0.602532 0.576403 0.640542 H\n0.022312 0.679453 0.767225 H\n0.654391 0.696163 0.861301 H\n0.695248 0.011380 0.090180 Pb\n0.114229 0.339530 0.909318 C\n0.893349 0.546079 0.807676 C\n0.783618 0.404773 0.700585 C\n0.950414 0.338439 0.271127 C\n0.965764 0.544908 0.372496 C\n0.216451 0.403587 0.479693 C\n0.124845 0.153341 0.590513 S\n0.116604 0.089402 0.926203 O\n0.197388 0.088403 0.254357 O\n0.292211 0.428336 0.977648 O\n0.683688 0.427356 0.202836 O\n","nsites":20,"nelements":5,"elements":["H","Pb","C","S","O"],"chemical_system":"C-H-O-Pb-S","density":3.163456305014893,"density_atomic":0.09938059554290636,"volume":201.24652997642022,"volume_molar":6.059674654897811,"formula_full":"H8 Pb1 C6 S1 O4","formula_reduced":"H8PbC6SO4","formula_anonymous":"ABC4D6E8","energy_above_hull":4.308628241,"spacegroup":5},{"id":"jvasp-96869","created_at":"2022-09-04T14:35:45.110192Z","updated_at":"2022-09-04T14:35:45.110217Z","structure_string":"Np2 H32 C8 N16 Cl2 O12\n1.0\n5.017111 6.048917 -0.902909\n-5.017111 6.048917 0.902909\n-0.256975 0.000000 11.466099\nNp H C N Cl O\n2 32 8 16 2 12\ndirect\n0.781908 0.781908 0.250000 Np\n0.218092 0.218093 0.750000 Np\n0.590337 0.077498 0.441199 H\n0.710095 0.434612 0.864044 H\n0.434611 0.710095 0.635956 H\n0.289905 0.565389 0.135956 H\n0.565389 0.289906 0.364044 H\n0.530704 0.774678 0.007106 H\n0.774678 0.530704 0.492894 H\n0.469296 0.225323 0.992894 H\n0.225322 0.469297 0.507106 H\n0.498084 0.655992 0.888507 H\n0.655991 0.498085 0.611493 H\n0.501916 0.344009 0.111493 H\n0.344009 0.501916 0.388507 H\n0.077498 0.590337 0.058801 H\n0.409664 0.922503 0.558801 H\n0.922502 0.409664 0.941199 H\n0.637522 0.115858 0.690788 H\n0.824164 0.171741 0.150581 H\n0.828259 0.175836 0.650581 H\n0.175836 0.828260 0.849419 H\n0.362478 0.884143 0.309212 H\n0.884143 0.362478 0.190788 H\n0.007367 0.635731 0.606286 H\n0.171741 0.824165 0.349419 H\n0.115857 0.637523 0.809212 H\n0.021587 0.167541 0.495223 H\n0.832459 0.978413 0.995223 H\n0.978413 0.832460 0.504777 H\n0.364269 0.992634 0.106286 H\n0.992633 0.364270 0.393714 H\n0.635731 0.007367 0.893714 H\n0.167541 0.021587 0.004777 H\n0.263646 0.414201 0.004951 C\n0.585799 0.736355 0.504951 C\n0.414201 0.263646 0.495049 C\n0.736354 0.585800 0.995049 C\n0.914204 0.153812 0.327295 C\n0.846188 0.085797 0.827295 C\n0.153812 0.914204 0.172705 C\n0.085796 0.846188 0.672705 C\n0.320344 0.424330 0.460526 N\n0.424330 0.320344 0.039474 N\n0.575670 0.679656 0.960526 N\n0.543357 0.208098 0.434950 N\n0.208098 0.543357 0.065050 N\n0.456643 0.791903 0.565050 N\n0.791902 0.456644 0.934950 N\n0.679656 0.575671 0.539474 N\n0.762355 0.022440 0.912238 N\n0.977561 0.237645 0.412238 N\n0.237645 0.977561 0.087762 N\n0.123885 0.764794 0.786187 N\n0.764793 0.123885 0.713813 N\n0.876115 0.235207 0.213813 N\n0.235207 0.876116 0.286187 N\n0.022439 0.762356 0.587762 N\n0.547337 0.547337 0.250000 Cl\n0.452663 0.452664 0.750000 Cl\n0.614469 0.835955 0.414920 O\n0.835955 0.614469 0.085080 O\n0.109584 0.001813 0.644954 O\n0.001812 0.109584 0.855046 O\n0.890416 0.998188 0.355046 O\n0.949243 0.615406 0.353170 O\n0.384594 0.050758 0.853170 O\n0.050757 0.384595 0.646830 O\n0.615406 0.949243 0.146830 O\n0.164045 0.385532 0.914920 O\n0.998188 0.890417 0.144954 O\n0.385531 0.164046 0.585080 O\n","nsites":72,"nelements":6,"elements":["Np","H","C","N","Cl","O"],"chemical_system":"C-Cl-H-N-Np-O","density":2.609714490245819,"density_atomic":0.10387491477043573,"volume":693.1413629471609,"volume_molar":5.7974928531195165,"formula_full":"Np2 H32 C8 N16 Cl2 O12","formula_reduced":"NpH16C4N8ClO6","formula_anonymous":"ABC4D6E8F16","energy_above_hull":4.58491336298611,"spacegroup":15},{"id":"jvasp-119311","created_at":"2022-09-04T14:38:30.222356Z","updated_at":"2022-09-04T14:38:30.222379Z","structure_string":"Ba1 Y1 Fe4 O7\n1.0\n5.515790 -0.000000 3.184543\n1.838597 5.200336 3.184543\n-0.000000 -0.000000 6.369085\nBa Y Fe O\n1 1 4 7\ndirect\n0.750000 0.750001 0.749999 Ba\n0.000000 0.000000 0.000000 Y\n0.379515 0.379515 0.861457 Fe\n0.379515 0.861457 0.379514 Fe\n0.861457 0.379515 0.379514 Fe\n0.379515 0.379515 0.379514 Fe\n0.751055 0.751056 0.248944 O\n0.248945 0.751056 0.248944 O\n0.751055 0.248945 0.248945 O\n0.248945 0.248945 0.751055 O\n0.751055 0.248945 0.751055 O\n0.248945 0.751056 0.751055 O\n0.250000 0.250000 0.250000 O\n","nsites":13,"nelements":4,"elements":["Ba","Y","Fe","O"],"chemical_system":"Ba-Fe-O-Y","density":5.104658730654081,"density_atomic":0.07115856467648922,"volume":182.69058769105834,"volume_molar":8.46298795848213,"formula_full":"Ba1 Y1 Fe4 O7","formula_reduced":"BaYFe4O7","formula_anonymous":"ABC4D7","energy_above_hull":2.992149070769231,"spacegroup":216},{"id":"jvasp-27515","created_at":"2022-09-04T14:36:37.977007Z","updated_at":"2022-09-04T14:36:37.977034Z","structure_string":"Na2 Be8 Sb2 O14\n1.0\n2.742216 -4.749657 0.000000\n2.742216 4.749657 0.000000\n0.000000 0.000000 8.939261\nNa Be Sb O\n2 8 2 14\ndirect\n0.666668 0.333334 0.874060 Na\n0.333334 0.666668 0.374060 Na\n0.331146 0.165573 0.186652 Be\n0.000000 0.000000 0.439211 Be\n0.000000 0.000000 0.939211 Be\n0.834429 0.668855 0.186652 Be\n0.668855 0.834429 0.686652 Be\n0.165573 0.331146 0.686652 Be\n0.834429 0.165573 0.186652 Be\n0.165573 0.834429 0.686652 Be\n0.666668 0.333334 0.499553 Sb\n0.333334 0.666668 0.999553 Sb\n0.505018 0.010035 0.129130 O\n0.505018 0.494983 0.129130 O\n0.494984 0.989966 0.629130 O\n0.010035 0.505018 0.629130 O\n0.989966 0.494984 0.129130 O\n0.494983 0.505018 0.629130 O\n0.321465 0.160733 0.371080 O\n0.160733 0.321465 0.871080 O\n0.678536 0.839269 0.871080 O\n0.000000 0.000000 0.124586 O\n0.000000 0.000000 0.624586 O\n0.160733 0.839268 0.871080 O\n0.839268 0.160733 0.371080 O\n0.839269 0.678536 0.371080 O\n","nsites":26,"nelements":4,"elements":["Na","Be","Sb","O"],"chemical_system":"Be-Na-O-Sb","density":4.175862454172708,"density_atomic":0.11165491014153694,"volume":232.86033697077593,"volume_molar":5.393529717919403,"formula_full":"Na2 Be8 Sb2 O14","formula_reduced":"NaBe4SbO7","formula_anonymous":"ABC4D7","energy_above_hull":2.1778149230769235,"spacegroup":186},{"id":"jvasp-91257","created_at":"2022-09-04T14:36:17.534750Z","updated_at":"2022-09-04T14:36:17.534782Z","structure_string":"Ba2 Dy2 Co8 O14\n1.0\n6.266960 -0.000000 0.000000\n-3.133480 5.427347 -0.000000\n-0.000000 -0.000000 10.302249\nBa Dy Co O\n2 2 8 14\ndirect\n0.666667 0.333333 0.507053 Ba\n0.333333 0.666667 0.007053 Ba\n0.666667 0.333333 0.880556 Dy\n0.333333 0.666667 0.380556 Dy\n0.000000 0.000000 0.426707 Co\n0.000000 0.000000 0.926707 Co\n0.173070 0.826931 0.685702 Co\n0.346139 0.173070 0.185701 Co\n0.826930 0.653862 0.185701 Co\n0.173070 0.346139 0.685702 Co\n0.653862 0.826931 0.685702 Co\n0.826930 0.173070 0.185701 Co\n0.999961 0.499980 0.251639 O\n0.840023 0.159978 0.002414 O\n0.499980 0.999961 0.751639 O\n0.000040 0.500021 0.751639 O\n0.500020 0.499980 0.251639 O\n0.000000 0.000000 0.246521 O\n0.000000 0.000000 0.746521 O\n0.159978 0.840023 0.502414 O\n0.319955 0.159978 0.002414 O\n0.840023 0.680045 0.002414 O\n0.159978 0.319955 0.502414 O\n0.680045 0.840023 0.502414 O\n0.500020 0.000039 0.251639 O\n0.499980 0.500021 0.751639 O\n","nsites":26,"nelements":4,"elements":["Ba","Dy","Co","O"],"chemical_system":"Ba-Co-Dy-O","density":6.137331599362556,"density_atomic":0.07419878496515883,"volume":350.41005067951846,"volume_molar":8.116225572733823,"formula_full":"Ba2 Dy2 Co8 O14","formula_reduced":"BaDyCo4O7","formula_anonymous":"ABC4D7","energy_above_hull":2.808146197692308,"spacegroup":186},{"id":"jvasp-111478","created_at":"2022-09-04T14:38:40.284247Z","updated_at":"2022-09-04T14:38:40.284269Z","structure_string":"Ba1 In1 Fe4 O7\n1.0\n5.455122 0.000000 3.149516\n1.818374 5.143138 3.149516\n0.000000 0.000000 6.299033\nBa In Fe O\n1 1 4 7\ndirect\n0.749999 0.750000 0.750001 Ba\n0.000000 0.000000 0.000000 In\n0.380441 0.380441 0.380442 Fe\n0.380441 0.380441 0.858677 Fe\n0.380440 0.858677 0.380442 Fe\n0.858676 0.380441 0.380442 Fe\n0.755681 0.244319 0.244319 O\n0.244318 0.755682 0.755682 O\n0.244318 0.755682 0.244319 O\n0.755681 0.244319 0.755682 O\n0.244318 0.244319 0.755682 O\n0.755681 0.755682 0.244320 O\n0.250000 0.250000 0.250000 O\n","nsites":13,"nelements":4,"elements":["Ba","In","Fe","O"],"chemical_system":"Ba-Fe-In-O","density":5.520339852099981,"density_atomic":0.07355917056389123,"volume":176.7284745103073,"volume_molar":8.186798075393405,"formula_full":"Ba1 In1 Fe4 O7","formula_reduced":"BaInFe4O7","formula_anonymous":"ABC4D7","energy_above_hull":2.702588649230769,"spacegroup":216},{"id":"jvasp-58336","created_at":"2022-09-04T14:37:39.597408Z","updated_at":"2022-09-04T14:37:39.597427Z","structure_string":"Ba2 Yb2 Si8 N14\n1.0\n3.061030 -5.301860 0.000000\n3.061030 5.301860 -0.000000\n0.000000 0.000000 9.917592\nYb Ba Si N\n2 2 8 14\ndirect\n0.666667 0.333333 0.765058 Yb\n0.333333 0.666667 0.265058 Yb\n0.333333 0.666667 0.636646 Ba\n0.666667 0.333333 0.136646 Ba\n0.000000 0.000000 0.686847 Si\n0.000000 0.000000 0.186847 Si\n0.174240 0.825759 0.952796 Si\n0.825759 0.651519 0.452796 Si\n0.651519 0.825759 0.952796 Si\n0.174241 0.348481 0.952796 Si\n0.825759 0.174240 0.452796 Si\n0.348481 0.174241 0.452796 Si\n0.487193 0.512807 0.903674 N\n0.025612 0.512807 0.903674 N\n0.512807 0.487193 0.403674 N\n0.512807 0.025612 0.403674 N\n0.487193 0.974388 0.903674 N\n0.974388 0.487193 0.403674 N\n0.150383 0.849616 0.124741 N\n0.150384 0.300768 0.124741 N\n0.699232 0.849616 0.124741 N\n0.300768 0.150384 0.624741 N\n0.849616 0.699232 0.624741 N\n0.000000 0.000000 0.875219 N\n0.849616 0.150383 0.624741 N\n0.000000 0.000000 0.375219 N\n","nsites":26,"nelements":4,"elements":["Yb","Ba","Si","N"],"chemical_system":"Ba-N-Si-Yb","density":5.372559291270694,"density_atomic":0.08076836152227289,"volume":321.9082263149559,"volume_molar":7.456064041040771,"formula_full":"Ba2 Yb2 Si8 N14","formula_reduced":"BaYbSi4N7","formula_anonymous":"ABC4D7","energy_above_hull":4.403111063076923,"spacegroup":186},{"id":"jvasp-56634","created_at":"2022-09-04T14:37:34.475364Z","updated_at":"2022-09-04T14:37:34.475383Z","structure_string":"Ba1 Y1 Fe4 O7\n1.0\n5.521918 -0.000000 3.188082\n1.840639 5.206115 3.188082\n-0.000000 -0.000000 6.376162\nBa Y Fe O\n1 1 4 7\ndirect\n0.750001 0.749999 0.749999 Ba\n0.000000 0.000000 0.000000 Y\n0.379383 0.379382 0.861850 Fe\n0.379383 0.379382 0.379382 Fe\n0.861851 0.379382 0.379382 Fe\n0.379383 0.861850 0.379382 Fe\n0.249156 0.249156 0.750843 O\n0.750844 0.750843 0.249156 O\n0.750844 0.249156 0.750843 O\n0.249157 0.750843 0.249156 O\n0.249157 0.750843 0.750843 O\n0.750844 0.249156 0.249156 O\n0.250000 0.250000 0.250000 O\n","nsites":13,"nelements":4,"elements":["Ba","Y","Fe","O"],"chemical_system":"Ba-Fe-O-Y","density":5.087680527743693,"density_atomic":0.07092188978525028,"volume":183.30024819366315,"volume_molar":8.491229968962887,"formula_full":"Ba1 Y1 Fe4 O7","formula_reduced":"BaYFe4O7","formula_anonymous":"ABC4D7","energy_above_hull":2.9930675323076925,"spacegroup":216},{"id":"jvasp-58137","created_at":"2022-09-04T14:37:34.599686Z","updated_at":"2022-09-04T14:37:34.599726Z","structure_string":"Ba1 Mg1 Sb4 O8\n1.0\n3.045571 -5.275083 0.000000\n3.045571 5.275083 0.000000\n-0.000000 -0.000000 7.158947\nBa Mg Sb O\n1 1 4 8\ndirect\n0.000000 0.000000 0.000000 Ba\n0.000000 0.000000 0.500000 Mg\n0.333333 0.666667 0.716193 Sb\n0.666667 0.333333 0.716193 Sb\n0.333333 0.666667 0.283808 Sb\n0.666667 0.333333 0.283808 Sb\n0.283206 0.283206 0.697762 O\n0.716793 0.000000 0.697762 O\n0.000000 0.716793 0.697762 O\n0.716793 0.716793 0.302238 O\n0.000000 0.283206 0.302238 O\n0.283206 0.000000 0.302238 O\n0.333333 0.666667 0.000000 O\n0.666667 0.333333 0.000000 O\n","nsites":14,"nelements":4,"elements":["Ba","Mg","Sb","O"],"chemical_system":"Ba-Mg-O-Sb","density":5.606694507518369,"density_atomic":0.06086265127195768,"volume":230.02612780443343,"volume_molar":9.894640857971769,"formula_full":"Ba1 Mg1 Sb4 O8","formula_reduced":"BaMg(SbO2)4","formula_anonymous":"ABC4D8","energy_above_hull":2.0557098157142857,"spacegroup":162},{"id":"jvasp-58151","created_at":"2022-09-04T14:37:36.600138Z","updated_at":"2022-09-04T14:37:36.600159Z","structure_string":"Ba1 Zn1 Cu4 O8\n1.0\n2.651112 -4.591859 -0.000000\n2.651112 4.591859 -0.000000\n0.000000 0.000000 7.110091\nBa Zn Cu O\n1 1 4 8\ndirect\n0.000000 0.000000 0.000000 Ba\n0.000000 0.000000 0.500000 Zn\n0.333333 0.666667 0.735479 Cu\n0.666667 0.333333 0.735479 Cu\n0.333333 0.666667 0.264521 Cu\n0.666667 0.333333 0.264521 Cu\n0.311474 0.311474 0.678010 O\n0.688526 -0.000000 0.678010 O\n-0.000000 0.688526 0.678010 O\n0.688525 0.688525 0.321990 O\n-0.000000 0.311474 0.321990 O\n0.311474 -0.000000 0.321990 O\n0.333333 0.666667 0.000000 O\n0.666667 0.333333 0.000000 O\n","nsites":14,"nelements":4,"elements":["Ba","Zn","Cu","O"],"chemical_system":"Ba-Cu-O-Zn","density":5.610741117220892,"density_atomic":0.08087350423189672,"volume":173.10984769321226,"volume_molar":7.446370498219182,"formula_full":"Ba1 Zn1 Cu4 O8","formula_reduced":"BaZn(CuO2)4","formula_anonymous":"ABC4D8","energy_above_hull":1.3251540121428569,"spacegroup":162},{"id":"jvasp-58144","created_at":"2022-09-04T14:37:40.241344Z","updated_at":"2022-09-04T14:37:40.241367Z","structure_string":"Ba1 Mg1 Ag4 O8\n1.0\n2.854213 -4.943641 -0.000000\n2.854213 4.943641 -0.000000\n-0.000000 0.000000 7.147245\nBa Mg Ag O\n1 1 4 8\ndirect\n0.000000 0.000000 0.000000 Ba\n0.000000 0.000000 0.500000 Mg\n0.333333 0.666666 0.709601 Ag\n0.666666 0.333333 0.709601 Ag\n0.333333 0.666666 0.290399 Ag\n0.666666 0.333333 0.290399 Ag\n0.281791 0.281791 0.681457 O\n0.718209 -0.000000 0.681457 O\n-0.000000 0.718209 0.681457 O\n0.718209 0.718209 0.318542 O\n-0.000000 0.281791 0.318542 O\n0.281791 -0.000000 0.318542 O\n0.333333 0.666666 0.000000 O\n0.666666 0.333333 0.000000 O\n","nsites":14,"nelements":4,"elements":["Ba","Mg","Ag","O"],"chemical_system":"Ag-Ba-Mg-O","density":5.936666090298915,"density_atomic":0.06941064262176594,"volume":201.69817583002538,"volume_molar":8.676105756311731,"formula_full":"Ba1 Mg1 Ag4 O8","formula_reduced":"BaMg(AgO2)4","formula_anonymous":"ABC4D8","energy_above_hull":1.4623622899999995,"spacegroup":162}]}