ASE database

ID Formula atom_E Maximum stress Calculator Mass PBC
51 Au54P -1.888 0.011 vasp 10667.168 TTT
52 Au54S -0.945 0.011 vasp 10668.255 TTT
53 Au54Cl -0.243 0.010 vasp 10671.645 TTT
54 Au54Ar -0.025 0.011 vasp 10676.143 TTT
55 Au72H -1.117 0.013 vasp 14182.601 TTT
56 Au72He 0.002 0.013 vasp 14185.596 TTT
57 Au72Li -0.299 0.014 vasp 14188.533 TTT
58 Au72Be -0.039 0.014 vasp 14190.605 TTT
59 Au72B -0.349 0.014 vasp 14192.403 TTT
60 Au72C -1.248 0.013 vasp 14193.604 TTT
61 Au72N -3.124 0.013 vasp 14195.600 TTT
62 Au72O -1.533 0.013 vasp 14197.592 TTT
63 Au72F -0.424 0.013 vasp 14200.591 TTT
64 Au72Ne -0.013 0.013 vasp 14201.773 TTT
65 Au72Na -0.225 0.014 vasp 14204.583 TTT
66 Au72Mg -0.004 0.014 vasp 14205.898 TTT
67 AlAu72 -0.295 0.013 vasp 14208.575 TTT
68 Au72Si -0.830 0.013 vasp 14209.678 TTT
69 Au72P -1.888 0.013 vasp 14212.567 TTT
70 Au72S -0.945 0.013 vasp 14213.653 TTT
71 Au72Cl -0.243 0.013 vasp 14217.043 TTT
72 Au72Ar -0.025 0.013 vasp 14221.541 TTT
73 Au72H -1.117 0.013 vasp 14182.601 TTT
74 Au72He 0.002 0.013 vasp 14185.596 TTT
75 Au72Li -0.299 0.014 vasp 14188.533 TTT