ASE database

ID Formula Energy Number of atoms Charge atom_E Mass str_E
51 Au54P -168.614 55 0.000 -1.888 10667.168 -168.614
52 Au54S -168.287 55 0.000 -0.945 10668.255 -168.287
53 Au54Cl -167.708 55 0.000 -0.243 10671.645 -167.708
54 Au54Ar -165.092 55 0.000 -0.025 10676.143 -165.092
55 Au72H -221.327 73 0.000 -1.117 14182.601 -221.327
56 Au72He -218.530 73 0.000 0.002 14185.596 -218.530
57 Au72Li -221.779 73 0.000 -0.299 14188.533 -221.779
58 Au72Be -222.351 73 0.000 -0.039 14190.605 -222.351
59 Au72B -223.965 73 0.000 -0.349 14192.403 -223.965
60 Au72C -224.158 73 0.000 -1.248 14193.604 -224.158
61 Au72N -223.660 73 0.000 -3.124 14195.600 -223.660
62 Au72O -223.013 73 0.000 -1.533 14197.592 -223.013
63 Au72F -221.958 73 0.000 -0.424 14200.591 -221.958
64 Au72Ne -218.548 73 0.000 -0.013 14201.773 -218.548
65 Au72Na -221.255 73 0.000 -0.225 14204.583 -221.255
66 Au72Mg -221.237 73 0.000 -0.004 14205.898 -221.237
67 AlAu72 -223.165 73 0.000 -0.295 14208.575 -223.165
68 Au72Si -224.334 73 0.000 -0.830 14209.678 -224.334
69 Au72P -224.246 73 0.000 -1.888 14212.567 -224.246
70 Au72S -222.981 73 0.000 -0.945 14213.653 -222.981
71 Au72Cl -221.174 73 0.000 -0.243 14217.043 -221.174
72 Au72Ar -218.555 73 0.000 -0.025 14221.541 -218.555
73 Au72H -221.601 73 0.000 -1.117 14182.601 -221.601
74 Au72He -218.530 73 0.000 0.002 14185.596 -218.530
75 Au72Li -221.672 73 0.000 -0.299 14188.533 -221.672