ASE database

ID Formula Username no_equ_4 ads_site no_equ_17
1 Cu54Li hecc ratio:1,dipole:-2.353,distance:1.877,ads_E:-2.141 f -
2 BeCu54 hecc ratio:1,dipole:0.00345513,distance:0.973808,ads_E:-2.95616 f ratio:1.55,dipole:-0.00631543,distance:7.10066,ads_E:-0.00261613
3 Cu54B hecc ratio:1.000,dipole:0.557,distance:0.353,ads_E:-5.662 f ratio:2.100,dipole:-0.833,distance:11.891,ads_E:-0.007
4 Cu54C hecc ratio:1,dipole:0.52283,distance:0.266163,ads_E:-6.42427 f ratio:1.55,dipole:3.07149,distance:5.99264,ads_E:-0.095025
5 Cu54N hecc ratio:1,dipole:0.368,distance:0.386,ads_E:-4.725 f ratio:1.5,dipole:0.030,distance:5.736,ads_E:-0.004
6 Cu54O hecc ratio:1.000,dipole:0.486,distance:0.778,ads_E:-5.406 f -
7 Cu54F hecc ratio:1.000,dipole:0.693,distance:1.239,ads_E:-4.335 f -
8 Cu54Ar hecc ratio:0.96,dipole:-0.291,distance:3.002,ads_E:0.057 f ratio:1.22,dipole:0.004,distance:6.530,ads_E:-0.006