{"count":55712,"next":"https://simmate.org/third-parties/JarvisStructure/?format=json&ordering=-energy_above_hull&page=4636","previous":"https://simmate.org/third-parties/JarvisStructure/?format=json&ordering=-energy_above_hull&page=4634","results":[{"id":"jvasp-8339","created_at":"2022-09-04T14:36:49.619213Z","updated_at":"2022-09-04T14:36:49.619239Z","structure_string":"Te1 F6\n1.0\n4.538386 0.088768 3.045329\n1.669981 4.220900 3.045329\n0.127877 0.088768 5.463940\nTe F\n1 6\ndirect\n0.000000 0.000000 0.000000 Te\n0.377762 0.082723 0.772444 F\n0.082723 0.772445 0.377762 F\n0.227556 0.622239 0.917277 F\n0.917278 0.227557 0.622238 F\n0.622239 0.917278 0.227555 F\n0.772445 0.377762 0.082722 F\n","nsites":7,"nelements":2,"elements":["Te","F"],"chemical_system":"F-Te","density":3.9534655295175836,"density_atomic":0.06898381234214661,"volume":101.4730813264035,"volume_molar":8.729788272836135,"formula_full":"Te1 F6","formula_reduced":"TeF6","formula_anonymous":"AB6","energy_above_hull":0.0,"spacegroup":148},{"id":"jvasp-13017","created_at":"2022-09-04T14:37:03.774211Z","updated_at":"2022-09-04T14:37:03.774221Z","structure_string":"Ga2 Cu2 Cl8\n1.0\n5.302701 0.000000 -0.000000\n0.000000 5.302701 -0.000000\n0.000000 0.000000 10.343601\nGa Cu Cl\n2 2 8\ndirect\n0.500000 0.000000 0.750000 Ga\n0.000000 0.500000 0.250000 Ga\n0.000000 0.000000 0.500000 Cu\n0.000000 0.000000 0.000000 Cu\n0.263549 0.750961 0.627571 Cl\n0.750961 0.736451 0.372429 Cl\n0.249038 0.263549 0.372429 Cl\n0.736451 0.750961 0.872429 Cl\n0.263549 0.249038 0.872429 Cl\n0.736451 0.249038 0.627571 Cl\n0.750961 0.263549 0.127571 Cl\n0.249038 0.736451 0.127571 Cl\n","nsites":12,"nelements":3,"elements":["Ga","Cu","Cl"],"chemical_system":"Cl-Cu-Ga","density":3.141041316704662,"density_atomic":0.041258668425754104,"volume":290.84797105350765,"volume_molar":14.596061845371905,"formula_full":"Ga2 Cu2 Cl8","formula_reduced":"GaCuCl4","formula_anonymous":"ABC4","energy_above_hull":0.0,"spacegroup":112},{"id":"jvasp-14273","created_at":"2022-09-04T14:37:03.796827Z","updated_at":"2022-09-04T14:37:03.796854Z","structure_string":"Ti1 Cd1 Hg2\n1.0\n4.449802 0.000000 0.000000\n-0.000000 4.449802 0.000000\n-0.000000 0.000000 4.110486\nTi Cd Hg\n1 1 2\ndirect\n0.500000 0.500000 0.000000 Ti\n0.000000 0.000000 0.000000 Cd\n0.500000 0.000000 0.500001 Hg\n0.000000 0.500000 0.500001 Hg\n","nsites":4,"nelements":3,"elements":["Ti","Cd","Hg"],"chemical_system":"Cd-Hg-Ti","density":11.454913779621236,"density_atomic":0.049145690825231306,"volume":81.39065567771829,"volume_molar":12.253649625997818,"formula_full":"Ti1 Cd1 Hg2","formula_reduced":"TiCdHg2","formula_anonymous":"ABC2","energy_above_hull":0.0,"spacegroup":123},{"id":"jvasp-102286","created_at":"2022-09-04T14:36:50.960461Z","updated_at":"2022-09-04T14:36:50.960487Z","structure_string":"Na3 In1\n1.0\n4.742643 0.000000 2.738166\n1.580881 4.471406 2.738166\n-0.000000 0.000000 5.476332\nNa In\n3 1\ndirect\n0.250000 0.250000 0.250000 Na\n0.749999 0.750001 0.750001 Na\n0.499999 0.500000 0.500001 Na\n0.000000 0.000000 0.000000 In\n","nsites":4,"nelements":2,"elements":["Na","In"],"chemical_system":"In-Na","density":2.627908893310776,"density_atomic":0.03444337359622172,"volume":116.13264272227916,"volume_molar":17.484178032608867,"formula_full":"Na3 In1","formula_reduced":"Na3In","formula_anonymous":"AB3","energy_above_hull":0.0,"spacegroup":225},{"id":"jvasp-101145","created_at":"2022-09-04T14:36:49.398687Z","updated_at":"2022-09-04T14:36:49.398730Z","structure_string":"Na3 Br1 Cl2\n1.0\n3.952828 0.001104 -8.132400\n-0.208397 3.947331 -8.132400\n-0.001047 -0.001104 9.042167\nNa Br Cl\n3 1 2\ndirect\n0.670973 0.670972 -0.000001 Na\n0.000000 0.000000 0.000000 Na\n0.329027 0.329027 -0.000000 Na\n0.500000 0.499999 -0.000001 Br\n0.832491 0.832490 -0.000001 Cl\n0.167509 0.167509 -0.000000 Cl\n","nsites":6,"nelements":3,"elements":["Na","Br","Cl"],"chemical_system":"Br-Cl-Na","density":2.587998342508231,"density_atomic":0.042548019093671924,"volume":141.0171408166066,"volume_molar":14.153751192839103,"formula_full":"Na3 Br1 Cl2","formula_reduced":"Na3BrCl2","formula_anonymous":"AB2C3","energy_above_hull":0.0,"spacegroup":139},{"id":"jvasp-105127","created_at":"2022-09-04T14:36:52.366956Z","updated_at":"2022-09-04T14:36:52.366973Z","structure_string":"Ca3 Ac1\n1.0\n5.317926 -0.000000 3.070306\n1.772642 5.013789 3.070306\n-0.000000 -0.000000 6.140612\nCa Ac\n3 1\ndirect\n0.250000 0.250000 0.250000 Ca\n0.750000 0.750000 0.750001 Ca\n0.500000 0.500000 0.500000 Ca\n0.000000 0.000000 0.000000 Ac\n","nsites":4,"nelements":2,"elements":["Ca","Ac"],"chemical_system":"Ac-Ca","density":3.521691757112766,"density_atomic":0.024430929554126474,"volume":163.7268852639455,"volume_molar":24.649658731396237,"formula_full":"Ca3 Ac1","formula_reduced":"Ca3Ac","formula_anonymous":"AB3","energy_above_hull":0.0,"spacegroup":225},{"id":"jvasp-103083","created_at":"2022-09-04T14:36:43.929150Z","updated_at":"2022-09-04T14:36:43.929179Z","structure_string":"K1 Ba1 Li1 Zn1 F6\n1.0\n4.962240 -0.000000 2.864950\n1.654080 4.678444 2.864950\n0.000000 0.000000 5.729901\nK Ba Li Zn F\n1 1 1 1 6\ndirect\n0.000000 0.000000 0.000000 K\n0.500000 0.500000 0.500000 Ba\n0.250000 0.250000 0.250000 Li\n0.750000 0.749999 0.750000 Zn\n0.001620 0.498379 0.498380 F\n0.001620 0.001620 0.498380 F\n0.498380 0.001620 0.498380 F\n0.498380 0.498379 0.001620 F\n0.001620 0.498379 0.001620 F\n0.498380 0.001620 0.001620 F\n","nsites":10,"nelements":5,"elements":["K","Ba","Li","Zn","F"],"chemical_system":"Ba-F-K-Li-Zn","density":4.528444178374576,"density_atomic":0.07517504227118958,"volume":133.0228716589953,"volume_molar":8.010824574298846,"formula_full":"K1 Ba1 Li1 Zn1 F6","formula_reduced":"KBaLiZnF6","formula_anonymous":"ABCDE6","energy_above_hull":0.0,"spacegroup":216},{"id":"jvasp-56890","created_at":"2022-09-04T14:36:43.960037Z","updated_at":"2022-09-04T14:36:43.960054Z","structure_string":"Sr4 Br8\n1.0\n4.688560 -0.000000 0.000000\n-0.000000 7.770300 0.000000\n0.000000 0.000000 11.306242\nSr Br\n4 8\ndirect\n0.250000 0.138793 0.831977 Sr\n0.750000 0.861207 0.168023 Sr\n0.250000 0.361207 0.331977 Sr\n0.750000 0.638793 0.668023 Sr\n0.750000 0.617605 0.390138 Br\n0.250000 0.382395 0.609862 Br\n0.250000 0.615371 0.121687 Br\n0.250000 0.117605 0.109862 Br\n0.250000 0.884629 0.621687 Br\n0.750000 0.384629 0.878313 Br\n0.750000 0.882395 0.890138 Br\n0.750000 0.115371 0.378313 Br\n","nsites":12,"nelements":2,"elements":["Sr","Br"],"chemical_system":"Br-Sr","density":3.9899034992471414,"density_atomic":0.029133033245533634,"volume":411.90355631230784,"volume_molar":20.671176630477536,"formula_full":"Sr4 Br8","formula_reduced":"SrBr2","formula_anonymous":"AB2","energy_above_hull":0.0,"spacegroup":62},{"id":"jvasp-2868","created_at":"2022-09-04T14:37:03.842549Z","updated_at":"2022-09-04T14:37:03.842566Z","structure_string":"Rb2 Na2 S2\n1.0\n4.676524 0.000000 0.000000\n0.000000 4.676524 0.000000\n0.000000 0.000000 7.562735\nRb Na S\n2 2 2\ndirect\n0.000000 0.500000 0.351720 Rb\n0.500000 0.000000 0.648279 Rb\n0.000000 0.000000 0.000000 Na\n0.500000 0.500000 0.000000 Na\n0.500000 0.000000 0.207056 S\n0.000000 0.500000 0.792944 S\n","nsites":6,"nelements":3,"elements":["Rb","Na","S"],"chemical_system":"Na-Rb-S","density":2.821629303616326,"density_atomic":0.03627655457451607,"volume":165.3960821355108,"volume_molar":16.600641462876126,"formula_full":"Rb2 Na2 S2","formula_reduced":"RbNaS","formula_anonymous":"ABC","energy_above_hull":0.0,"spacegroup":129},{"id":"jvasp-15055","created_at":"2022-09-04T14:36:50.413331Z","updated_at":"2022-09-04T14:36:50.413342Z","structure_string":"Ga2 Au1\n1.0\n3.803835 -0.000000 2.196146\n1.267945 3.586291 2.196146\n-0.000000 -0.000000 4.392291\nGa Au\n2 1\ndirect\n0.750002 0.750000 0.750000 Ga\n0.250001 0.250000 0.250000 Ga\n0.000000 0.000000 0.000000 Au\n","nsites":3,"nelements":2,"elements":["Ga","Au"],"chemical_system":"Au-Ga","density":9.323157242280539,"density_atomic":0.050068312334694144,"volume":59.918137043360886,"volume_molar":12.027848511736318,"formula_full":"Ga2 Au1","formula_reduced":"Ga2Au","formula_anonymous":"AB2","energy_above_hull":0.0,"spacegroup":225},{"id":"jvasp-101641","created_at":"2022-09-04T14:36:50.065718Z","updated_at":"2022-09-04T14:36:50.065738Z","structure_string":"Rb2 Tl2 O2\n1.0\n6.680223 -0.007050 1.951741\n5.646498 3.569664 1.951741\n-0.003147 -0.000909 6.436237\nRb Tl O\n2 2 2\ndirect\n0.874779 0.874777 0.343795 Rb\n0.125222 0.125221 0.656205 Rb\n0.640533 0.640532 0.148425 Tl\n0.359467 0.359467 0.851575 Tl\n0.248613 0.248613 0.214632 O\n0.751387 0.751386 0.785368 O\n","nsites":6,"nelements":3,"elements":["Rb","Tl","O"],"chemical_system":"O-Rb-Tl","density":6.6061181287922075,"density_atomic":0.039021979623236815,"volume":153.75949805547845,"volume_molar":15.432689007950623,"formula_full":"Rb2 Tl2 O2","formula_reduced":"RbTlO","formula_anonymous":"ABC","energy_above_hull":0.0,"spacegroup":12},{"id":"jvasp-60657","created_at":"2022-09-04T14:36:59.552001Z","updated_at":"2022-09-04T14:36:59.552026Z","structure_string":"In4 Te4 I4\n1.0\n0.000000 8.536890 -0.132754\n7.783654 0.000000 0.000000\n0.000000 -3.809828 -7.067956\nIn Te I\n4 4 4\ndirect\n0.612158 0.803085 0.968528 In\n0.887841 0.303085 0.031471 In\n0.387841 0.196914 0.031472 In\n0.112158 0.696914 0.968529 In\n0.936958 0.637670 0.197839 Te\n0.563041 0.137670 0.802161 Te\n0.063041 0.362330 0.802161 Te\n0.436959 0.862330 0.197839 Te\n0.395712 0.605352 0.660842 I\n0.104287 0.105353 0.339158 I\n0.604287 0.394647 0.339158 I\n0.895712 0.894647 0.660842 I\n","nsites":12,"nelements":3,"elements":["In","Te","I"],"chemical_system":"I-In-Te","density":5.179795240687807,"density_atomic":0.025338390099724915,"volume":473.58967766978526,"volume_molar":23.76686417842063,"formula_full":"In4 Te4 I4","formula_reduced":"InTeI","formula_anonymous":"ABC","energy_above_hull":0.0,"spacegroup":14}]}