ASE database

ID Formula Calculator Volume Mass Magnetic moment Maximum stress atom_E
76 Au72Be vasp 3649.858 14190.605 0.000 0.013 -0.039
77 Au72B vasp 3649.858 14192.403 0.000 0.012 -0.349
78 Au72C vasp 3649.858 14193.604 0.000 0.011 -1.248
79 Au72N vasp 3649.858 14195.600 0.000 0.012 -3.124
80 Au72O vasp 3649.858 14197.592 -0.000 0.012 -1.533
81 Au72F vasp 3649.858 14200.591 0.000 0.012 -0.424
82 Au72Ne vasp 3649.858 14201.773 0.000 0.013 -0.013
83 Au72Na vasp 3649.858 14204.583 -0.000 0.014 -0.225
84 Au72Mg vasp 3649.858 14205.898 -0.000 0.013 -0.004
85 AlAu72 vasp 3649.858 14208.575 0.000 0.013 -0.295
86 Au72Si vasp 3649.858 14209.678 -0.000 0.013 -0.830
87 Au72P vasp 3649.858 14212.567 -0.000 0.012 -1.888
88 Au72S vasp 3649.858 14213.653 -0.000 0.012 -0.945
89 Au72Cl vasp 3649.858 14217.043 -0.000 0.012 -0.243
90 Au72Ar vasp 3649.858 14221.541 -0.000 0.013 -0.025
91 Au72H vasp 3649.858 14182.601 0.000 0.013 -1.117
92 Au72He vasp 3649.858 14185.596 0.000 0.013 0.002
93 Au72Li vasp 3649.858 14188.533 -0.000 0.014 -0.299
94 Au72Be vasp 3649.858 14190.605 -0.000 0.012 -0.039
95 Au72B vasp 3649.858 14192.403 -0.000 0.012 -0.349
96 Au72C vasp 3649.858 14193.604 -0.000 0.012 -1.248
97 Au72N vasp 3649.858 14195.600 0.000 0.013 -3.124
98 Au72O vasp 3649.858 14197.592 -0.000 0.013 -1.533
99 Au72F vasp 3649.858 14200.591 -0.000 0.013 -0.424
100 Au72Ne vasp 3649.858 14201.773 -0.000 0.013 -0.013