ASE database

ID Formula no_equ_31 no_equ_2 no_equ_22
1 Cu54Li - ratio:0.93,dipole:-1.125,distance:1.042,ads_E:-1.567 -
2 BeCu54 - ratio:0.93,dipole:0.340153,distance:0.19957,ads_E:-2.58415 -
3 Cu54B - ratio:0.930,dipole:0.209,distance:-0.381,ads_E:-5.180 -
4 Cu54C - ratio:0.93,dipole:0.104359,distance:-0.462661,ads_E:-5.77067 -
5 Cu54N - ratio:0.93,dipole:-0.001,distance:-0.350,ads_E:-4.156 -
6 Cu54O - ratio:0.930,dipole:-0.058,distance:0.015,ads_E:-4.909 -
7 Cu54F - ratio:0.930,dipole:0.015,distance:0.447,ads_E:-3.637 -
8 Cu54Ar ratio:1.5,dipole:0.000,distance:10.329,ads_E:-0.005 ratio:0.92,dipole:-0.596,distance:2.460,ads_E:0.278 ratio:1.32,dipole:0.002,distance:7.887,ads_E:-0.005