ASE database

ID Formula Energy Volume Calculator Mass
76 Au72Be -222.247 3649.858 vasp 14190.605
77 Au72B -224.037 3649.858 vasp 14192.403
78 Au72C -224.356 3649.858 vasp 14193.604
79 Au72N -223.581 3649.858 vasp 14195.600
80 Au72O -223.229 3649.858 vasp 14197.592
81 Au72F -222.245 3649.858 vasp 14200.591
82 Au72Ne -218.548 3649.858 vasp 14201.773
83 Au72Na -221.145 3649.858 vasp 14204.583
84 Au72Mg -220.986 3649.858 vasp 14205.898
85 AlAu72 -222.861 3649.858 vasp 14208.575
86 Au72Si -223.955 3649.858 vasp 14209.678
87 Au72P -223.843 3649.858 vasp 14212.567
88 Au72S -222.907 3649.858 vasp 14213.653
89 Au72Cl -221.497 3649.858 vasp 14217.043
90 Au72Ar -218.552 3649.858 vasp 14221.541
91 Au72H -221.957 3649.858 vasp 14182.601
92 Au72He -218.530 3649.858 vasp 14185.596
93 Au72Li -221.258 3649.858 vasp 14188.533
94 Au72Be -221.998 3649.858 vasp 14190.605
95 Au72B -224.163 3649.858 vasp 14192.403
96 Au72C -224.114 3649.858 vasp 14193.604
97 Au72N -223.914 3649.858 vasp 14195.600
98 Au72O -223.523 3649.858 vasp 14197.592
99 Au72F -222.402 3649.858 vasp 14200.591
100 Au72Ne -218.547 3649.858 vasp 14201.773