ASE database

Displaying rows 1-25 out of 31

Formula ✕	no_equ_23 ✕	no_equ_18 ✕	Volume ✕	no_equ_16 ✕	no_equ_7 ✕	no_equ_26 ✕
Cu₅₄Li	-	-	1730.483	ratio:1.9,dipole:-3.128,distance:12.609,ads_E:-0.058	ratio:1.1,dipole:-4.039,distance:3.069,ads_E:-1.290	-
BeCu₅₄	-	ratio:1.6,dipole:-0.00466727,distance:7.61014,ads_E:-0.0017761	1730.483	ratio:1.5,dipole:-0.0113499,distance:6.50408,ads_E:-0.00416696	ratio:1.1,dipole:-0.434967,distance:2.07986,ads_E:-1.97799	-
Cu₅₄B	-	-	1730.483	ratio:2.000,dipole:-1.008,distance:10.843,ads_E:-0.007	ratio:1.100,dipole:0.778,distance:1.402,ads_E:-4.794	-
Cu₅₄C	-	ratio:1.6,dipole:3.20521,distance:6.61329,ads_E:-0.0862335	1730.483	ratio:1.51,dipole:2.9677,distance:5.57616,ads_E:-0.10513	ratio:1.1,dipole:1.00519,distance:1.30734,ads_E:-5.4061	-
Cu₅₄N	-	ratio:1.55,dipole:0.009,distance:6.168,ads_E:-0.002	1730.483	ratio:1.45,dipole:0.007,distance:5.116,ads_E:-0.007	ratio:1.1,dipole:1.088,distance:1.437,ads_E:-3.705	-
Cu₅₄O	-	-	1730.483	ratio:2.100,dipole:4.187,distance:12.753,ads_E:-0.168	ratio:1.100,dipole:1.502,distance:1.866,ads_E:-3.941	-
Cu₅₄F	-	-	1730.483	-	ratio:1.100,dipole:3.086,distance:2.371,ads_E:-3.138	-
Cu₅₄Ar	ratio:1.34,dipole:0.001,distance:8.158,ads_E:-0.005	ratio:1.24,dipole:0.002,distance:6.801,ads_E:-0.005	1730.483	ratio:1.2,dipole:0.005,distance:6.259,ads_E:-0.006	ratio:1.02,dipole:-0.049,distance:3.817,ads_E:-0.015	ratio:1.4,dipole:0.000,distance:8.972,ads_E:-0.005