ASE database

ID Formula no_equ_28 no_equ_27 no_equ_2
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:1.44,dipole:0.000,distance:9.515,ads_E:-0.005 ratio:1.42,dipole:0.000,distance:9.243,ads_E:-0.005 ratio:0.92,dipole:-0.596,distance:2.460,ads_E:0.278