ASE database

ID Formula no_equ_4 no_equ_9
1 Cu54Li ratio:1,dipole:-2.353,distance:1.877,ads_E:-2.141 ratio:1.15,dipole:-3.511,distance:3.666,ads_E:-0.744
2 BeCu54 ratio:1,dipole:0.00345513,distance:0.973808,ads_E:-2.95616 ratio:1.16,dipole:-0.39644,distance:2.7435,ads_E:-0.772653
3 Cu54B ratio:1.000,dipole:0.557,distance:0.353,ads_E:-5.662 ratio:1.160,dipole:0.981,distance:2.032,ads_E:-3.278
4 Cu54C ratio:1,dipole:0.52283,distance:0.266163,ads_E:-6.42427 ratio:1.16,dipole:1.37647,distance:1.93205,ads_E:-3.75037
5 Cu54N ratio:1,dipole:0.368,distance:0.386,ads_E:-4.725 ratio:1.16,dipole:1.554,distance:2.068,ads_E:-1.933
6 Cu54O ratio:1.000,dipole:0.486,distance:0.778,ads_E:-5.406 ratio:1.160,dipole:2.453,distance:2.519,ads_E:-1.842
7 Cu54F ratio:1.000,dipole:0.693,distance:1.239,ads_E:-4.335 ratio:1.160,dipole:5.403,distance:3.050,ads_E:-2.006
8 Cu54Ar ratio:0.96,dipole:-0.291,distance:3.002,ads_E:0.057 ratio:1.06,dipole:-0.003,distance:4.359,ads_E:-0.016