ASE database

ID Formula ads_site atom_E Magnetic moment Energy Mass PBC
51 Au54P 0t -1.888 -0.002 -168.614 10667.168 TTT
52 Au54S 0t -0.945 -0.000 -168.287 10668.255 TTT
53 Au54Cl 0t -0.243 -0.000 -167.708 10671.645 TTT
54 Au54Ar 0t -0.025 0.000 -165.092 10676.143 TTT
55 Au72H 2f -1.117 0.000 -221.327 14182.601 TTT
56 Au72He 2f 0.002 0.000 -218.530 14185.596 TTT
57 Au72Li 2f -0.299 -0.000 -221.779 14188.533 TTT
58 Au72Be 2f -0.039 0.000 -222.351 14190.605 TTT
59 Au72B 2f -0.349 0.000 -223.965 14192.403 TTT
60 Au72C 2f -1.248 -0.000 -224.158 14193.604 TTT
61 Au72N 2f -3.124 0.000 -223.660 14195.600 TTT
62 Au72O 2f -1.533 -0.000 -223.013 14197.592 TTT
63 Au72F 2f -0.424 -0.000 -221.958 14200.591 TTT
64 Au72Ne 2f -0.013 0.000 -218.548 14201.773 TTT
65 Au72Na 2f -0.225 0.000 -221.255 14204.583 TTT
66 Au72Mg 2f -0.004 -0.000 -221.237 14205.898 TTT
67 AlAu72 2f -0.295 -0.000 -223.165 14208.575 TTT
68 Au72Si 2f -0.830 0.000 -224.334 14209.678 TTT
69 Au72P 2f -1.888 -0.000 -224.246 14212.567 TTT
70 Au72S 2f -0.945 0.000 -222.981 14213.653 TTT
71 Au72Cl 2f -0.243 0.000 -221.174 14217.043 TTT
72 Au72Ar 2f -0.025 0.000 -218.555 14221.541 TTT
73 Au72H 3b -1.117 0.000 -221.601 14182.601 TTT
74 Au72He 3b 0.002 -0.000 -218.530 14185.596 TTT
75 Au72Li 3b -0.299 0.000 -221.672 14188.533 TTT