ASE database

ID Formula Calculator Volume Mass Magnetic moment Maximum stress
76 Au72Be vasp 3649.858 14190.605 0.000 0.013
77 Au72B vasp 3649.858 14192.403 0.000 0.012
78 Au72C vasp 3649.858 14193.604 0.000 0.011
79 Au72N vasp 3649.858 14195.600 0.000 0.012
80 Au72O vasp 3649.858 14197.592 -0.000 0.012
81 Au72F vasp 3649.858 14200.591 0.000 0.012
82 Au72Ne vasp 3649.858 14201.773 0.000 0.013
83 Au72Na vasp 3649.858 14204.583 -0.000 0.014
84 Au72Mg vasp 3649.858 14205.898 -0.000 0.013
85 AlAu72 vasp 3649.858 14208.575 0.000 0.013
86 Au72Si vasp 3649.858 14209.678 -0.000 0.013
87 Au72P vasp 3649.858 14212.567 -0.000 0.012
88 Au72S vasp 3649.858 14213.653 -0.000 0.012
89 Au72Cl vasp 3649.858 14217.043 -0.000 0.012
90 Au72Ar vasp 3649.858 14221.541 -0.000 0.013
91 Au72H vasp 3649.858 14182.601 0.000 0.013
92 Au72He vasp 3649.858 14185.596 0.000 0.013
93 Au72Li vasp 3649.858 14188.533 -0.000 0.014
94 Au72Be vasp 3649.858 14190.605 -0.000 0.012
95 Au72B vasp 3649.858 14192.403 -0.000 0.012
96 Au72C vasp 3649.858 14193.604 -0.000 0.012
97 Au72N vasp 3649.858 14195.600 0.000 0.013
98 Au72O vasp 3649.858 14197.592 -0.000 0.013
99 Au72F vasp 3649.858 14200.591 -0.000 0.013
100 Au72Ne vasp 3649.858 14201.773 -0.000 0.013