ASE database

Displaying rows 1-8 out of 8

Formula ✕	no_equ_7 ✕	Charge ✕	no_equ_28 ✕	Volume ✕	Maximum force ✕	no_equ_16 ✕
Cu₅₄Li	ratio:1.1,dipole:-4.039,distance:3.069,ads_E:-1.290	0.000	-	1730.483	0.009	ratio:1.9,dipole:-3.128,distance:12.609,ads_E:-0.058
BeCu₅₄	ratio:1.1,dipole:-0.434967,distance:2.07986,ads_E:-1.97799	0.000	-	1730.483	0.010	ratio:1.5,dipole:-0.0113499,distance:6.50408,ads_E:-0.00416696
Cu₅₄B	ratio:1.100,dipole:0.778,distance:1.402,ads_E:-4.794	0.000	-	1730.483	0.005	ratio:2.000,dipole:-1.008,distance:10.843,ads_E:-0.007
Cu₅₄C	ratio:1.1,dipole:1.00519,distance:1.30734,ads_E:-5.4061	0.000	-	1730.483	0.010	ratio:1.51,dipole:2.9677,distance:5.57616,ads_E:-0.10513
Cu₅₄N	ratio:1.1,dipole:1.088,distance:1.437,ads_E:-3.705	0.000	-	1730.483	0.005	ratio:1.45,dipole:0.007,distance:5.116,ads_E:-0.007
Cu₅₄O	ratio:1.100,dipole:1.502,distance:1.866,ads_E:-3.941	0.000	-	1730.483	0.008	ratio:2.100,dipole:4.187,distance:12.753,ads_E:-0.168
Cu₅₄F	ratio:1.100,dipole:3.086,distance:2.371,ads_E:-3.138	0.000	-	1730.483	0.006	-
Cu₅₄Ar	ratio:1.02,dipole:-0.049,distance:3.817,ads_E:-0.015	0.000	ratio:1.44,dipole:0.000,distance:9.515,ads_E:-0.005	1730.483	0.007	ratio:1.2,dipole:0.005,distance:6.259,ads_E:-0.006