{"count":55712,"next":"https://simmate.org/third-parties/JarvisStructure/?format=json&ordering=-energy_above_hull&page=4583","previous":"https://simmate.org/third-parties/JarvisStructure/?format=json&ordering=-energy_above_hull&page=4581","results":[{"id":"jvasp-102270","created_at":"2022-09-04T14:36:44.932491Z","updated_at":"2022-09-04T14:36:44.932512Z","structure_string":"Rb3 As1 Br6\n1.0\n7.104231 -0.000000 4.101630\n2.368077 6.697933 4.101630\n-0.000000 -0.000000 8.203260\nRb As Br\n3 1 6\ndirect\n0.750000 0.750000 0.750000 Rb\n0.250000 0.250000 0.250000 Rb\n0.500000 0.500000 0.500000 Rb\n0.000000 0.000000 0.000000 As\n0.771124 0.228875 0.228876 Br\n0.228876 0.228875 0.771125 Br\n0.228876 0.771124 0.771125 Br\n0.228876 0.771124 0.228876 Br\n0.771124 0.228875 0.771125 Br\n0.771125 0.771124 0.228876 Br\n","nsites":10,"nelements":3,"elements":["Rb","As","Br"],"chemical_system":"As-Br-Rb","density":3.448983916472596,"density_atomic":0.02561861517085043,"volume":390.3411614292984,"volume_molar":23.506894185491177,"formula_full":"Rb3 As1 Br6","formula_reduced":"Rb3AsBr6","formula_anonymous":"AB3C6","energy_above_hull":0.0,"spacegroup":225},{"id":"jvasp-2739","created_at":"2022-09-04T14:37:01.616397Z","updated_at":"2022-09-04T14:37:01.616430Z","structure_string":"Rb2 Pt1 F6\n1.0\n2.989621 -5.178175 0.000000\n2.989621 5.178175 0.000000\n0.000000 0.000000 4.754605\nRb Pt F\n2 1 6\ndirect\n0.333333 0.666667 0.287792 Rb\n0.666667 0.333333 0.712209 Rb\n0.000000 0.000000 0.000000 Pt\n0.839642 0.679285 0.224280 F\n0.839642 0.160358 0.224280 F\n0.320715 0.160357 0.224280 F\n0.160357 0.320715 0.775721 F\n0.160358 0.839642 0.775721 F\n0.679285 0.839642 0.775721 F\n","nsites":9,"nelements":3,"elements":["Rb","Pt","F"],"chemical_system":"F-Pt-Rb","density":5.4145466826006725,"density_atomic":0.061137153149099455,"volume":147.20999484635914,"volume_molar":9.85021455826277,"formula_full":"Rb2 Pt1 F6","formula_reduced":"Rb2PtF6","formula_anonymous":"AB2C6","energy_above_hull":0.0,"spacegroup":164},{"id":"jvasp-12913","created_at":"2022-09-04T14:36:57.416883Z","updated_at":"2022-09-04T14:36:57.416912Z","structure_string":"Sb2 I4 F12\n1.0\n5.731680 0.123885 0.131891\n1.169031 7.893459 0.076433\n1.408432 1.591540 7.985302\nSb I F\n2 4 12\ndirect\n0.435630 0.300163 0.321608 Sb\n0.564369 0.699837 0.678391 Sb\n0.116938 0.247203 0.935836 I\n0.883062 0.752796 0.064163 I\n0.877183 0.111123 0.769282 I\n0.122816 0.888877 0.230717 I\n0.445217 0.825615 0.478198 F\n0.554783 0.174385 0.521801 F\n0.417233 0.879762 0.801877 F\n0.582767 0.120238 0.198123 F\n0.691090 0.580551 0.881835 F\n0.717673 0.413641 0.244941 F\n0.282327 0.586359 0.755058 F\n0.272141 0.484013 0.430654 F\n0.844516 0.819265 0.613260 F\n0.155483 0.180734 0.386739 F\n0.308910 0.419448 0.118164 F\n0.727858 0.515987 0.569346 F\n","nsites":18,"nelements":3,"elements":["Sb","I","F"],"chemical_system":"F-I-Sb","density":4.538783521874178,"density_atomic":0.05024901162507802,"volume":358.2160010290959,"volume_molar":11.98459544823067,"formula_full":"Sb2 I4 F12","formula_reduced":"Sb(IF3)2","formula_anonymous":"AB2C6","energy_above_hull":0.0,"spacegroup":2},{"id":"jvasp-32684","created_at":"2022-09-04T14:36:44.169522Z","updated_at":"2022-09-04T14:36:44.169543Z","structure_string":"Zn1 Sb2 Xe6 F24\n1.0\n8.446112 -0.017361 4.051304\n2.542827 8.054262 4.051304\n-0.023739 -0.017361 9.367460\nZn Sb Xe F\n1 2 6 24\ndirect\n0.000000 0.000000 0.000000 Zn\n0.253525 0.253525 0.253525 Sb\n0.746475 0.746475 0.746475 Sb\n0.786264 0.267649 0.693865 Xe\n0.693865 0.786264 0.267648 Xe\n0.213736 0.732351 0.306134 Xe\n0.306134 0.213736 0.732351 Xe\n0.267649 0.693865 0.786263 Xe\n0.732351 0.306135 0.213736 Xe\n0.871786 0.902012 0.615397 F\n0.615397 0.871786 0.902012 F\n0.097988 0.384602 0.128214 F\n0.627056 0.584729 0.872817 F\n0.117040 0.947482 0.780983 F\n0.384602 0.128214 0.097987 F\n0.780177 0.412933 0.459943 F\n0.415271 0.127183 0.372944 F\n0.219823 0.587067 0.540056 F\n0.902012 0.615398 0.871786 F\n0.219017 0.882960 0.052518 F\n0.459944 0.780177 0.412933 F\n0.540056 0.219823 0.587067 F\n0.780983 0.117040 0.947481 F\n0.412933 0.459943 0.780177 F\n0.127183 0.372944 0.415271 F\n0.584729 0.872817 0.627056 F\n0.128214 0.097988 0.384602 F\n0.372944 0.415271 0.127182 F\n0.882960 0.052518 0.219016 F\n0.872817 0.627056 0.584728 F\n0.052518 0.219016 0.882961 F\n0.947482 0.780984 0.117039 F\n0.587067 0.540057 0.219823 F\n","nsites":33,"nelements":4,"elements":["Zn","Sb","Xe","F"],"chemical_system":"F-Sb-Xe-Zn","density":4.035760419540174,"density_atomic":0.051655553753067456,"volume":638.8470861768734,"volume_molar":11.658263869918127,"formula_full":"Zn1 Sb2 Xe6 F24","formula_reduced":"ZnSb2(XeF4)6","formula_anonymous":"AB2C6D24","energy_above_hull":0.0,"spacegroup":148},{"id":"jvasp-106225","created_at":"2022-09-04T14:36:57.334572Z","updated_at":"2022-09-04T14:36:57.334581Z","structure_string":"Rb3 Lu1 Cl6\n1.0\n6.843047 -0.000000 3.950835\n2.281016 6.451686 3.950835\n-0.000000 0.000000 7.901670\nRb Lu Cl\n3 1 6\ndirect\n0.750001 0.750000 0.749999 Rb\n0.250000 0.250000 0.250000 Rb\n0.500000 0.500000 0.499999 Rb\n0.000000 0.000000 0.000000 Lu\n0.771017 0.228984 0.228983 Cl\n0.228984 0.228984 0.771016 Cl\n0.228984 0.771017 0.771015 Cl\n0.228984 0.771017 0.228983 Cl\n0.771017 0.228984 0.771015 Cl\n0.771017 0.771017 0.228982 Cl\n","nsites":10,"nelements":3,"elements":["Rb","Lu","Cl"],"chemical_system":"Cl-Lu-Rb","density":3.065864394024863,"density_atomic":0.02866542378075784,"volume":348.8523343133923,"volume_molar":21.008378616898263,"formula_full":"Rb3 Lu1 Cl6","formula_reduced":"Rb3LuCl6","formula_anonymous":"AB3C6","energy_above_hull":0.0,"spacegroup":225},{"id":"jvasp-102462","created_at":"2022-09-04T14:36:45.034469Z","updated_at":"2022-09-04T14:36:45.034488Z","structure_string":"Ca1 Yb1 Cd2\n1.0\n4.621311 -0.000000 2.668115\n1.540437 4.357013 2.668115\n-0.000000 -0.000000 5.336230\nYb Ca Cd\n1 1 2\ndirect\n0.000000 0.000000 0.000000 Yb\n0.500000 0.500000 0.499999 Ca\n0.750001 0.749999 0.749999 Cd\n0.250000 0.250000 0.250000 Cd\n","nsites":4,"nelements":3,"elements":["Yb","Ca","Cd"],"chemical_system":"Ca-Cd-Yb","density":6.768230169477203,"density_atomic":0.03722814521693007,"volume":107.44558926295738,"volume_molar":16.176311564566852,"formula_full":"Ca1 Yb1 Cd2","formula_reduced":"CaYbCd2","formula_anonymous":"ABC2","energy_above_hull":0.0,"spacegroup":225},{"id":"jvasp-14760","created_at":"2022-09-04T14:36:44.886754Z","updated_at":"2022-09-04T14:36:44.886772Z","structure_string":"Ca1 Tl3\n1.0\n4.840921 -0.000000 -0.000000\n0.000000 4.840921 -0.000000\n-0.000000 0.000000 4.840921\nCa Tl\n1 3\ndirect\n0.000000 0.000000 0.000000 Ca\n0.000000 0.500000 0.500000 Tl\n0.500000 0.500000 0.000000 Tl\n0.500000 0.000000 0.500000 Tl\n","nsites":4,"nelements":2,"elements":["Ca","Tl"],"chemical_system":"Ca-Tl","density":9.56158382970505,"density_atomic":0.03525948829247649,"volume":113.44464125004053,"volume_molar":17.07948995188616,"formula_full":"Ca1 Tl3","formula_reduced":"CaTl3","formula_anonymous":"AB3","energy_above_hull":0.0,"spacegroup":221},{"id":"jvasp-28448","created_at":"2022-09-04T14:37:01.643189Z","updated_at":"2022-09-04T14:37:01.643213Z","structure_string":"Ba2 In4 Pd2\n1.0\n4.580434 0.000000 -0.000000\n-2.290218 5.897327 0.000000\n-0.000000 0.000000 8.145620\nBa In Pd\n2 4 2\ndirect\n0.447958 0.895919 0.250000 Ba\n0.552041 0.104082 0.750000 Ba\n0.161976 0.323953 0.055663 In\n0.838022 0.676047 0.944337 In\n0.838022 0.676047 0.555663 In\n0.161976 0.323953 0.444337 In\n0.723790 0.447583 0.250000 Pd\n0.276208 0.552418 0.750000 Pd\n","nsites":8,"nelements":3,"elements":["Ba","In","Pd"],"chemical_system":"Ba-In-Pd","density":7.145058113393719,"density_atomic":0.036358336241146615,"volume":220.03207041543405,"volume_molar":16.563301246949692,"formula_full":"Ba2 In4 Pd2","formula_reduced":"BaIn2Pd","formula_anonymous":"ABC2","energy_above_hull":0.0,"spacegroup":63},{"id":"jvasp-105000","created_at":"2022-09-04T14:36:44.987789Z","updated_at":"2022-09-04T14:36:44.987810Z","structure_string":"Rb2 Ga1 Cu1 F6\n1.0\n5.125540 -0.000000 2.959232\n1.708513 4.832406 2.959232\n-0.000000 -0.000000 5.918464\nRb Ga Cu F\n2 1 1 6\ndirect\n0.749999 0.750001 0.749999 Rb\n0.250000 0.250000 0.250000 Rb\n0.000000 0.000000 0.000000 Ga\n0.499999 0.500000 0.499999 Cu\n0.768186 0.231813 0.231813 F\n0.231813 0.231813 0.768186 F\n0.231812 0.768187 0.768186 F\n0.231812 0.768187 0.231813 F\n0.768186 0.231813 0.768186 F\n0.768186 0.768187 0.231813 F\n","nsites":10,"nelements":4,"elements":["Rb","Ga","Cu","F"],"chemical_system":"Cu-F-Ga-Rb","density":4.73713652268073,"density_atomic":0.0682162666675272,"volume":146.59260156727797,"volume_molar":8.828012810127445,"formula_full":"Rb2 Ga1 Cu1 F6","formula_reduced":"Rb2GaCuF6","formula_anonymous":"ABC2D6","energy_above_hull":0.0,"spacegroup":225},{"id":"jvasp-2598","created_at":"2022-09-04T14:36:55.517749Z","updated_at":"2022-09-04T14:36:55.517771Z","structure_string":"Mg3 N1 F3\n1.0\n4.234149 0.000000 0.000000\n0.000000 4.234149 0.000000\n0.000000 0.000000 4.234149\nMg N F\n3 1 3\ndirect\n0.000000 0.500000 0.000000 Mg\n0.000000 0.000000 0.500000 Mg\n0.500000 0.000000 0.000000 Mg\n0.000000 0.000000 0.000000 N\n0.500000 0.000000 0.500000 F\n0.500000 0.500000 0.000000 F\n0.000000 0.500000 0.500000 F\n","nsites":7,"nelements":3,"elements":["Mg","N","F"],"chemical_system":"F-Mg-N","density":3.148201428636558,"density_atomic":0.09221458786413497,"volume":75.90989844593244,"volume_molar":6.530572764553005,"formula_full":"Mg3 N1 F3","formula_reduced":"Mg3NF3","formula_anonymous":"AB3C3","energy_above_hull":0.0,"spacegroup":221},{"id":"jvasp-18683","created_at":"2022-09-04T14:37:01.657536Z","updated_at":"2022-09-04T14:37:01.657560Z","structure_string":"Ho1 In1 Cu2\n1.0\n4.043376 -0.000000 2.334444\n1.347792 3.812131 2.334444\n-0.000000 -0.000000 4.668887\nHo In Cu\n1 1 2\ndirect\n0.500000 0.500000 0.499999 Ho\n0.000000 0.000000 0.000000 In\n0.250000 0.250000 0.250000 Cu\n0.750000 0.750000 0.749999 Cu\n","nsites":4,"nelements":3,"elements":["Ho","In","Cu"],"chemical_system":"Cu-Ho-In","density":9.38745301875467,"density_atomic":0.055582065687455946,"volume":71.96565925585492,"volume_molar":10.834683248123879,"formula_full":"Ho1 In1 Cu2","formula_reduced":"HoInCu2","formula_anonymous":"ABC2","energy_above_hull":0.0,"spacegroup":225},{"id":"jvasp-107268","created_at":"2022-09-04T14:37:01.686150Z","updated_at":"2022-09-04T14:37:01.686164Z","structure_string":"Yb4 Y1\n1.0\n3.637635 -0.015241 14.835555\n1.779391 3.172757 14.835555\n-0.026147 -0.015241 15.274992\nYb Y\n4 1\ndirect\n0.602338 0.602341 0.602341 Yb\n0.200567 0.200568 0.200568 Yb\n0.799430 0.799434 0.799433 Yb\n0.397659 0.397660 0.397660 Yb\n0.000000 0.000000 0.000000 Y\n","nsites":5,"nelements":2,"elements":["Yb","Y"],"chemical_system":"Y-Yb","density":7.271559577621476,"density_atomic":0.02803243499654715,"volume":178.3648120691573,"volume_molar":21.48276009822824,"formula_full":"Yb4 Y1","formula_reduced":"Yb4Y","formula_anonymous":"AB4","energy_above_hull":0.0,"spacegroup":166}]}