ASE database

Displaying rows 1-8 out of 8

Formula ✕	no_equ_28 ✕	no_equ_27 ✕	no_equ_2 ✕	Number of atoms ✕	no_equ_18 ✕	no_equ_25 ✕	no_equ_30 ✕	Charge ✕
Cu₅₄Li	-	-	ratio:0.93,dipole:-1.125,distance:1.042,ads_E:-1.567	55	-	-	-	0.000
BeCu₅₄	-	-	ratio:0.93,dipole:0.340153,distance:0.19957,ads_E:-2.58415	55	ratio:1.6,dipole:-0.00466727,distance:7.61014,ads_E:-0.0017761	-	-	0.000
Cu₅₄B	-	-	ratio:0.930,dipole:0.209,distance:-0.381,ads_E:-5.180	55	-	-	-	0.000
Cu₅₄C	-	-	ratio:0.93,dipole:0.104359,distance:-0.462661,ads_E:-5.77067	55	ratio:1.6,dipole:3.20521,distance:6.61329,ads_E:-0.0862335	-	-	0.000
Cu₅₄N	-	-	ratio:0.93,dipole:-0.001,distance:-0.350,ads_E:-4.156	55	ratio:1.55,dipole:0.009,distance:6.168,ads_E:-0.002	-	-	0.000
Cu₅₄O	-	-	ratio:0.930,dipole:-0.058,distance:0.015,ads_E:-4.909	55	-	-	-	0.000
Cu₅₄F	-	-	ratio:0.930,dipole:0.015,distance:0.447,ads_E:-3.637	55	-	-	-	0.000
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	55	ratio:1.24,dipole:0.002,distance:6.801,ads_E:-0.005	ratio:1.38,dipole:0.000,distance:8.701,ads_E:-0.005	ratio:1.48,dipole:0.000,distance:10.057,ads_E:-0.005	0.000