ASE database

Displaying rows 1-8 out of 8

Formula ✕	slab_E ✕	ads_E ✕	Username ✕	Charge ✕	Age ✕	no_equ_21 ✕	no_equ_1 ✕
Cu₅₄Li	-190.592	-2.222	hecc	0.000	13M	-	ratio:0.9,dipole:-0.645,distance:0.684,ads_E:-1.046
BeCu₅₄	-190.592	-2.934	hecc	0.000	13M	-	ratio:0.9,dipole:0.302883,distance:-0.132247,ads_E:-2.36046
Cu₅₄B	-190.592	-5.472	hecc	0.000	13M	-	ratio:0.900,dipole:-0.012,distance:-0.696,ads_E:-4.781
Cu₅₄C	-190.592	-6.254	hecc	0.000	13M	ratio:2.2,dipole:7.59718,distance:12.7603,ads_E:-0.0579928	ratio:0.9,dipole:-0.0331232,distance:-0.775014,ads_E:-5.11493
Cu₅₄N	-190.592	-4.599	hecc	0.000	13M	-	ratio:0.9,dipole:-0.149,distance:-0.666,ads_E:-3.448
Cu₅₄O	-190.592	-5.385	hecc	0.000	13M	-	ratio:0.900,dipole:-0.175,distance:-0.311,ads_E:-4.372
Cu₅₄F	-190.592	-4.264	hecc	0.000	13M	-	ratio:0.900,dipole:-0.137,distance:0.107,ads_E:-3.084
Cu₅₄Ar	-190.592	0.020	hecc	0.000	13M	ratio:1.3,dipole:0.002,distance:7.615,ads_E:-0.005	ratio:0.9,dipole:-0.757,distance:2.324,ads_E:0.500