ASE database

ID Formula no_equ_3 slab_E no_equ_23
1 Cu54Li ratio:0.96,dipole:-1.624,distance:1.400,ads_E:-1.949 -190.592 -
2 BeCu54 ratio:0.96,dipole:0.234375,distance:0.531386,ads_E:-2.83237 -190.592 -
3 Cu54B ratio:0.960,dipole:0.398,distance:-0.066,ads_E:-5.490 -190.592 -
4 Cu54C ratio:0.96,dipole:0.291413,distance:-0.150308,ads_E:-6.20762 -190.592 -
5 Cu54N ratio:0.96,dipole:0.160,distance:-0.035,ads_E:-4.570 -190.592 -
6 Cu54O ratio:0.960,dipole:0.131,distance:0.342,ads_E:-5.226 -190.592 -
7 Cu54F ratio:0.960,dipole:0.260,distance:0.787,ads_E:-4.090 -190.592 -
8 Cu54Ar ratio:0.94,dipole:-0.431,distance:2.731,ads_E:0.139 -190.592 ratio:1.34,dipole:0.001,distance:8.158,ads_E:-0.005