{"count":55712,"next":"https://simmate.org/third-parties/JarvisStructure/?format=json&ordering=energy_above_hull&page=507","previous":"https://simmate.org/third-parties/JarvisStructure/?format=json&ordering=energy_above_hull&page=505","results":[{"id":"jvasp-52173","created_at":"2022-09-04T14:37:27.923137Z","updated_at":"2022-09-04T14:37:27.923163Z","structure_string":"La1 O1 F1\n1.0\n4.068996 0.000000 0.000000\n2.034497 3.523854 0.000000\n2.034497 1.174618 3.322321\nLa O F\n1 1 1\ndirect\n0.000000 0.000000 0.000000 La\n0.250001 0.250000 0.250000 O\n0.750002 0.750000 0.750000 F\n","nsites":3,"nelements":3,"elements":["La","O","F"],"chemical_system":"F-La-O","density":6.06191849918775,"density_atomic":0.06297591612618164,"volume":47.63725856705367,"volume_molar":9.56260921704377,"formula_full":"La1 O1 F1","formula_reduced":"LaOF","formula_anonymous":"ABC","energy_above_hull":0.0237333333333333,"spacegroup":216},{"id":"jvasp-105731","created_at":"2022-09-04T14:36:21.722115Z","updated_at":"2022-09-04T14:36:21.722147Z","structure_string":"Cd4\n1.0\n3.316364 0.000000 0.000000\n-1.658182 2.872056 0.000000\n0.000000 -0.000000 9.590936\nCd\n4\ndirect\n0.000000 0.000000 0.000000 Cd\n0.333333 0.666668 0.250000 Cd\n0.000000 0.000000 0.500000 Cd\n0.666667 0.333333 0.750000 Cd\n","nsites":4,"nelements":1,"elements":["Cd"],"chemical_system":"Cd","density":8.173382269405872,"density_atomic":0.04378687008269672,"volume":91.351585359847,"volume_molar":13.753302642153846,"formula_full":"Cd4","formula_reduced":"Cd","formula_anonymous":"A","energy_above_hull":0.02374,"spacegroup":194},{"id":"jvasp-25886","created_at":"2022-09-04T14:38:33.492934Z","updated_at":"2022-09-04T14:38:33.492954Z","structure_string":"K2 Na1 Mo1 F6\n1.0\n5.221085 0.000000 3.014395\n1.740362 4.922486 3.014395\n0.000000 0.000000 6.028790\nK Na Mo F\n2 1 1 6\ndirect\n0.250000 0.250000 0.249999 K\n0.750000 0.750001 0.749998 K\n0.500000 0.500000 0.499999 Na\n0.000000 0.000000 0.000000 Mo\n0.241168 0.758832 0.758831 F\n0.241168 0.758832 0.241167 F\n0.758832 0.241168 0.758831 F\n0.241168 0.241168 0.758831 F\n0.758832 0.241168 0.241167 F\n0.758832 0.758832 0.241166 F\n","nsites":10,"nelements":4,"elements":["K","Na","Mo","F"],"chemical_system":"F-K-Mo-Na","density":3.3342421311606736,"density_atomic":0.0645393504696765,"volume":154.94423056982038,"volume_molar":9.330959664413532,"formula_full":"K2 Na1 Mo1 F6","formula_reduced":"K2NaMoF6","formula_anonymous":"ABC2D6","energy_above_hull":0.0237762595,"spacegroup":225},{"id":"jvasp-42095","created_at":"2022-09-04T14:37:48.710073Z","updated_at":"2022-09-04T14:37:48.710087Z","structure_string":"Pb2 Cl4\n1.0\n6.739906 -0.000000 0.000000\n-0.000000 6.739906 0.000000\n0.000000 0.000000 4.438332\nPb Cl\n2 4\ndirect\n0.000000 0.000000 0.000000 Pb\n0.500000 0.500000 0.500000 Pb\n0.302466 0.302466 0.000000 Cl\n0.697535 0.697535 0.000000 Cl\n0.197534 0.802466 0.500000 Cl\n0.802466 0.197534 0.500000 Cl\n","nsites":6,"nelements":2,"elements":["Pb","Cl"],"chemical_system":"Cl-Pb","density":4.581017882151085,"density_atomic":0.0297593736056661,"volume":201.6171469031733,"volume_molar":20.236113971341794,"formula_full":"Pb2 Cl4","formula_reduced":"PbCl2","formula_anonymous":"AB2","energy_above_hull":0.0238399999999999,"spacegroup":136},{"id":"jvasp-100764","created_at":"2022-09-04T14:37:04.177511Z","updated_at":"2022-09-04T14:37:04.177518Z","structure_string":"Xe4\n1.0\n4.343207 -0.000000 0.000000\n-2.171603 3.761328 0.000000\n-0.000000 -0.000000 14.180945\nXe\n4\ndirect\n0.000000 0.000000 0.000000 Xe\n0.333334 0.666667 0.250000 Xe\n0.000000 0.000000 0.500000 Xe\n0.666667 0.333334 0.750000 Xe\n","nsites":4,"nelements":1,"elements":["Xe"],"chemical_system":"Xe","density":3.764382558257605,"density_atomic":0.017266451104133763,"volume":231.66312381600872,"volume_molar":34.877698513032826,"formula_full":"Xe4","formula_reduced":"Xe","formula_anonymous":"A","energy_above_hull":0.0238900000000001,"spacegroup":194},{"id":"jvasp-114958","created_at":"2022-09-04T14:38:42.451090Z","updated_at":"2022-09-04T14:38:42.451116Z","structure_string":"Ga1 I2\n1.0\n7.223607 -0.324351 0.777280\n1.067704 -3.968184 -0.534772\n1.525205 -1.262648 -3.637035\nGa I\n1 2\ndirect\n0.035845 0.904986 0.064277 Ga\n0.299149 0.150929 0.309257 I\n0.772580 0.659241 0.819116 I\n","nsites":3,"nelements":2,"elements":["Ga","I"],"chemical_system":"Ga-I","density":5.26507056598794,"density_atomic":0.029400802966164173,"volume":102.0380294869001,"volume_molar":20.482912548104764,"formula_full":"Ga1 I2","formula_reduced":"GaI2","formula_anonymous":"AB2","energy_above_hull":0.0239283333333333,"spacegroup":166},{"id":"jvasp-21210","created_at":"2022-09-04T14:35:41.744566Z","updated_at":"2022-09-04T14:35:41.744594Z","structure_string":"Xe1\n1.0\n0.000000 -2.508030 3.545814\n-2.172017 1.254015 3.545814\n-2.172018 -1.254015 -3.545814\nXe\n1\ndirect\n0.000000 0.000000 0.000000 Xe\n","nsites":1,"nelements":1,"elements":["Xe"],"chemical_system":"Xe","density":3.7623346053770454,"density_atomic":0.017257057564096713,"volume":57.947306270826765,"volume_molar":34.896683502574945,"formula_full":"Xe1","formula_reduced":"Xe","formula_anonymous":"A","energy_above_hull":0.02393,"spacegroup":225},{"id":"jvasp-1047","created_at":"2022-09-04T14:37:43.909398Z","updated_at":"2022-09-04T14:37:43.909408Z","structure_string":"Xe1\n1.0\n0.000000 -2.508029 3.545815\n-2.172017 1.254015 3.545815\n-2.172018 -1.254015 -3.545815\nXe\n1\ndirect\n0.000000 0.000000 0.000000 Xe\n","nsites":1,"nelements":1,"elements":["Xe"],"chemical_system":"Xe","density":3.762334544390586,"density_atomic":0.017257057284364326,"volume":57.94730721013745,"volume_molar":34.896684068241065,"formula_full":"Xe1","formula_reduced":"Xe","formula_anonymous":"A","energy_above_hull":0.02393,"spacegroup":225},{"id":"jvasp-25395","created_at":"2022-09-04T14:38:02.362924Z","updated_at":"2022-09-04T14:38:02.362955Z","structure_string":"Xe1\n1.0\n0.000000 -2.508710 -3.543757\n-2.172607 1.254355 -3.543757\n2.172607 1.254356 -3.543758\nXe\n1\ndirect\n0.499998 0.500001 0.500001 Xe\n","nsites":1,"nelements":1,"elements":["Xe"],"chemical_system":"Xe","density":3.7624760712954637,"density_atomic":0.01725770643926428,"volume":57.94512750111604,"volume_molar":34.89537141678679,"formula_full":"Xe1","formula_reduced":"Xe","formula_anonymous":"A","energy_above_hull":0.0239799999999998,"spacegroup":225},{"id":"jvasp-8824","created_at":"2022-09-04T14:37:06.533459Z","updated_at":"2022-09-04T14:37:06.533479Z","structure_string":"Zn1 Cr1 F6\n1.0\n5.323259 0.068403 0.047161\n2.994759 4.401497 0.047160\n2.994759 1.609310 4.097014\nZn Cr F\n1 1 6\ndirect\n0.000000 0.000000 0.000000 Zn\n0.500001 0.500000 0.499999 Cr\n0.122511 0.406371 0.733642 F\n0.406371 0.733644 0.122510 F\n0.733644 0.122510 0.406370 F\n0.266357 0.877490 0.593629 F\n0.593630 0.266357 0.877489 F\n0.877490 0.593630 0.266356 F\n","nsites":8,"nelements":3,"elements":["Zn","Cr","F"],"chemical_system":"Cr-F-Zn","density":4.071805421088662,"density_atomic":0.08477600771657785,"volume":94.36632150390362,"volume_molar":7.103590888749031,"formula_full":"Zn1 Cr1 F6","formula_reduced":"ZnCrF6","formula_anonymous":"ABC6","energy_above_hull":0.024057436875,"spacegroup":148},{"id":"jvasp-25276","created_at":"2022-09-04T14:37:51.618893Z","updated_at":"2022-09-04T14:37:51.618909Z","structure_string":"Xe1\n1.0\n3.762671 0.000000 2.172379\n1.254224 3.547481 2.172379\n0.000000 0.000000 4.344759\nXe\n1\ndirect\n0.000000 0.000000 0.000000 Xe\n","nsites":1,"nelements":1,"elements":["Xe"],"chemical_system":"Xe","density":3.759314446070101,"density_atomic":0.017243204712482137,"volume":57.99385999727259,"volume_molar":34.92471881193087,"formula_full":"Xe1","formula_reduced":"Xe","formula_anonymous":"A","energy_above_hull":0.0240800000000001,"spacegroup":225},{"id":"jvasp-16625","created_at":"2022-09-04T14:38:13.852870Z","updated_at":"2022-09-04T14:38:13.852888Z","structure_string":"Yb1 Tl1\n1.0\n3.796142 0.000000 -0.000000\n0.000000 3.796142 0.000000\n-0.000000 0.000000 3.796142\nYb Tl\n1 1\ndirect\n0.500000 0.500000 0.500000 Yb\n0.000000 0.000000 0.000000 Tl\n","nsites":2,"nelements":2,"elements":["Yb","Tl"],"chemical_system":"Tl-Yb","density":11.456460357725687,"density_atomic":0.03655970201597323,"volume":54.705041062046504,"volume_molar":16.472072877861198,"formula_full":"Yb1 Tl1","formula_reduced":"YbTl","formula_anonymous":"AB","energy_above_hull":0.0241089999999999,"spacegroup":221}]}