ASE database

Displaying rows 1-8 out of 8

Formula ✕	no_equ_3 ✕	slab_E ✕	ads_E ✕	Username ✕	Charge ✕
Cu₅₄Li	ratio:0.96,dipole:-1.624,distance:1.400,ads_E:-1.949	-190.592	-2.222	hecc	0.000
BeCu₅₄	ratio:0.96,dipole:0.234375,distance:0.531386,ads_E:-2.83237	-190.592	-2.934	hecc	0.000
Cu₅₄B	ratio:0.960,dipole:0.398,distance:-0.066,ads_E:-5.490	-190.592	-5.472	hecc	0.000
Cu₅₄C	ratio:0.96,dipole:0.291413,distance:-0.150308,ads_E:-6.20762	-190.592	-6.254	hecc	0.000
Cu₅₄N	ratio:0.96,dipole:0.160,distance:-0.035,ads_E:-4.570	-190.592	-4.599	hecc	0.000
Cu₅₄O	ratio:0.960,dipole:0.131,distance:0.342,ads_E:-5.226	-190.592	-5.385	hecc	0.000
Cu₅₄F	ratio:0.960,dipole:0.260,distance:0.787,ads_E:-4.090	-190.592	-4.264	hecc	0.000
Cu₅₄Ar	ratio:0.94,dipole:-0.431,distance:2.731,ads_E:0.139	-190.592	0.020	hecc	0.000