ASE database

ID Formula atom_E no_equ_4 no_equ_12 no_equ_26 no_equ_31 Age
1 Cu54Li -0.299 ratio:1,dipole:-2.353,distance:1.877,ads_E:-2.141 ratio:1.3,dipole:-2.555,distance:5.454,ads_E:-0.165 - - 13M
2 BeCu54 -0.039 ratio:1,dipole:0.00345513,distance:0.973808,ads_E:-2.95616 ratio:1.3,dipole:-0.18803,distance:4.29197,ads_E:-0.0630632 - - 13M
3 Cu54B -0.349 ratio:1.000,dipole:0.557,distance:0.353,ads_E:-5.662 ratio:1.350,dipole:-0.748,distance:4.025,ads_E:-0.303 - - 13M
4 Cu54C -1.248 ratio:1,dipole:0.52283,distance:0.266163,ads_E:-6.42427 ratio:1.3,dipole:2.30687,distance:3.38969,ads_E:-0.486531 - - 13M
5 Cu54N -3.124 ratio:1,dipole:0.368,distance:0.386,ads_E:-4.725 ratio:1.3,dipole:0.575,distance:3.539,ads_E:-0.068 - - 13M
6 Cu54O -1.533 ratio:1.000,dipole:0.486,distance:0.778,ads_E:-5.406 ratio:1.310,dipole:3.768,distance:4.152,ads_E:-0.372 - - 13M
7 Cu54F -0.424 ratio:1.000,dipole:0.693,distance:1.239,ads_E:-4.335 ratio:1.450,dipole:8.949,distance:6.333,ads_E:-0.889 - - 13M
8 Cu54Ar -0.025 ratio:0.96,dipole:-0.291,distance:3.002,ads_E:0.057 ratio:1.12,dipole:0.009,distance:5.173,ads_E:-0.010 ratio:1.4,dipole:0.000,distance:8.972,ads_E:-0.005 ratio:1.5,dipole:0.000,distance:10.329,ads_E:-0.005 13M