ASE database

ID Formula no_equ_15 no_equ_19 no_equ_21
1 Cu54Li ratio:1.7,dipole:-2.867,distance:10.224,ads_E:-0.066 - -
2 BeCu54 ratio:1.45,dipole:-0.0224294,distance:5.95106,ads_E:-0.00714774 - -
3 Cu54B ratio:1.900,dipole:-0.558,distance:9.794,ads_E:-0.180 - -
4 Cu54C ratio:1.45,dipole:2.19263,distance:4.95146,ads_E:-0.182345 ratio:1.8,dipole:3.74248,distance:8.59558,ads_E:-0.0684837 ratio:2.2,dipole:7.59718,distance:12.7603,ads_E:-0.0579928
5 Cu54N ratio:1.4,dipole:-0.095,distance:4.680,ads_E:-0.016 ratio:1.6,dipole:0.009,distance:6.693,ads_E:-0.002 -
6 Cu54O ratio:1.900,dipole:6.642,distance:10.576,ads_E:-0.174 - -
7 Cu54F ratio:1.900,dipole:13.468,distance:11.427,ads_E:-0.666 - -
8 Cu54Ar ratio:1.18,dipole:0.006,distance:5.987,ads_E:-0.007 ratio:1.26,dipole:0.002,distance:7.073,ads_E:-0.005 ratio:1.3,dipole:0.002,distance:7.615,ads_E:-0.005