ASE database

ID Formula Energy Volume Calculator Mass distance
76 Au72Be -222.247 3649.858 vasp 14190.605 0.376
77 Au72B -224.037 3649.858 vasp 14192.403 0.004
78 Au72C -224.356 3649.858 vasp 14193.604 -0.057
79 Au72N -223.581 3649.858 vasp 14195.600 1.019
80 Au72O -223.229 3649.858 vasp 14197.592 1.128
81 Au72F -222.245 3649.858 vasp 14200.591 1.287
82 Au72Ne -218.548 3649.858 vasp 14201.773 3.219
83 Au72Na -221.145 3649.858 vasp 14204.583 1.783
84 Au72Mg -220.986 3649.858 vasp 14205.898 1.048
85 AlAu72 -222.861 3649.858 vasp 14208.575 0.555
86 Au72Si -223.955 3649.858 vasp 14209.678 0.496
87 Au72P -223.843 3649.858 vasp 14212.567 0.638
88 Au72S -222.907 3649.858 vasp 14213.653 1.456
89 Au72Cl -221.497 3649.858 vasp 14217.043 1.702
90 Au72Ar -218.552 3649.858 vasp 14221.541 3.199
91 Au72H -221.957 3649.858 vasp 14182.601 1.011
92 Au72He -218.530 3649.858 vasp 14185.596 3.531
93 Au72Li -221.258 3649.858 vasp 14188.533 2.014
94 Au72Be -221.998 3649.858 vasp 14190.605 0.794
95 Au72B -224.163 3649.858 vasp 14192.403 -1.286
96 Au72C -224.114 3649.858 vasp 14193.604 0.883
97 Au72N -223.914 3649.858 vasp 14195.600 1.085
98 Au72O -223.523 3649.858 vasp 14197.592 1.199
99 Au72F -222.402 3649.858 vasp 14200.591 1.545
100 Au72Ne -218.547 3649.858 vasp 14201.773 3.558