ASE database

ID Formula no_equ_23 no_equ_3 ads_E
1 Cu54Li - ratio:0.96,dipole:-1.624,distance:1.400,ads_E:-1.949 -2.222
2 BeCu54 - ratio:0.96,dipole:0.234375,distance:0.531386,ads_E:-2.83237 -2.934
3 Cu54B - ratio:0.960,dipole:0.398,distance:-0.066,ads_E:-5.490 -5.472
4 Cu54C - ratio:0.96,dipole:0.291413,distance:-0.150308,ads_E:-6.20762 -6.254
5 Cu54N - ratio:0.96,dipole:0.160,distance:-0.035,ads_E:-4.570 -4.599
6 Cu54O - ratio:0.960,dipole:0.131,distance:0.342,ads_E:-5.226 -5.385
7 Cu54F - ratio:0.960,dipole:0.260,distance:0.787,ads_E:-4.090 -4.264
8 Cu54Ar ratio:1.34,dipole:0.001,distance:8.158,ads_E:-0.005 ratio:0.94,dipole:-0.431,distance:2.731,ads_E:0.139 0.020