ASE database

ID Formula no_equ_30 no_equ_26 no_equ_9
1 Cu54Li - - ratio:1.15,dipole:-3.511,distance:3.666,ads_E:-0.744
2 BeCu54 - - ratio:1.16,dipole:-0.39644,distance:2.7435,ads_E:-0.772653
3 Cu54B - - ratio:1.160,dipole:0.981,distance:2.032,ads_E:-3.278
4 Cu54C - - ratio:1.16,dipole:1.37647,distance:1.93205,ads_E:-3.75037
5 Cu54N - - ratio:1.16,dipole:1.554,distance:2.068,ads_E:-1.933
6 Cu54O - - ratio:1.160,dipole:2.453,distance:2.519,ads_E:-1.842
7 Cu54F - - ratio:1.160,dipole:5.403,distance:3.050,ads_E:-2.006
8 Cu54Ar ratio:1.48,dipole:0.000,distance:10.057,ads_E:-0.005 ratio:1.4,dipole:0.000,distance:8.972,ads_E:-0.005 ratio:1.06,dipole:-0.003,distance:4.359,ads_E:-0.016