ASE database

ID Formula Calculator Charge str_E Maximum stress Volume
51 Au54P vasp 0.000 -168.614 0.011 2654.442
52 Au54S vasp 0.000 -168.287 0.011 2654.442
53 Au54Cl vasp 0.000 -167.708 0.010 2654.442
54 Au54Ar vasp 0.000 -165.092 0.011 2654.442
55 Au72H vasp 0.000 -221.327 0.013 3649.858
56 Au72He vasp 0.000 -218.530 0.013 3649.858
57 Au72Li vasp 0.000 -221.779 0.014 3649.858
58 Au72Be vasp 0.000 -222.351 0.014 3649.858
59 Au72B vasp 0.000 -223.965 0.014 3649.858
60 Au72C vasp 0.000 -224.158 0.013 3649.858
61 Au72N vasp 0.000 -223.660 0.013 3649.858
62 Au72O vasp 0.000 -223.013 0.013 3649.858
63 Au72F vasp 0.000 -221.958 0.013 3649.858
64 Au72Ne vasp 0.000 -218.548 0.013 3649.858
65 Au72Na vasp 0.000 -221.255 0.014 3649.858
66 Au72Mg vasp 0.000 -221.237 0.014 3649.858
67 AlAu72 vasp 0.000 -223.165 0.013 3649.858
68 Au72Si vasp 0.000 -224.334 0.013 3649.858
69 Au72P vasp 0.000 -224.246 0.013 3649.858
70 Au72S vasp 0.000 -222.981 0.013 3649.858
71 Au72Cl vasp 0.000 -221.174 0.013 3649.858
72 Au72Ar vasp 0.000 -218.555 0.013 3649.858
73 Au72H vasp 0.000 -221.601 0.013 3649.858
74 Au72He vasp 0.000 -218.530 0.013 3649.858
75 Au72Li vasp 0.000 -221.672 0.014 3649.858