ASE database

Displaying rows 1-8 out of 8

↓ ID ✕	Formula ✕	no_equ_21 ✕	no_equ_3 ✕	no_equ_4 ✕
1	Cu₅₄Li	-	ratio:0.96,dipole:-1.624,distance:1.400,ads_E:-1.949	ratio:1,dipole:-2.353,distance:1.877,ads_E:-2.141
2	BeCu₅₄	-	ratio:0.96,dipole:0.234375,distance:0.531386,ads_E:-2.83237	ratio:1,dipole:0.00345513,distance:0.973808,ads_E:-2.95616
3	Cu₅₄B	-	ratio:0.960,dipole:0.398,distance:-0.066,ads_E:-5.490	ratio:1.000,dipole:0.557,distance:0.353,ads_E:-5.662
4	Cu₅₄C	ratio:2.2,dipole:7.59718,distance:12.7603,ads_E:-0.0579928	ratio:0.96,dipole:0.291413,distance:-0.150308,ads_E:-6.20762	ratio:1,dipole:0.52283,distance:0.266163,ads_E:-6.42427
5	Cu₅₄N	-	ratio:0.96,dipole:0.160,distance:-0.035,ads_E:-4.570	ratio:1,dipole:0.368,distance:0.386,ads_E:-4.725
6	Cu₅₄O	-	ratio:0.960,dipole:0.131,distance:0.342,ads_E:-5.226	ratio:1.000,dipole:0.486,distance:0.778,ads_E:-5.406
7	Cu₅₄F	-	ratio:0.960,dipole:0.260,distance:0.787,ads_E:-4.090	ratio:1.000,dipole:0.693,distance:1.239,ads_E:-4.335
8	Cu₅₄Ar	ratio:1.3,dipole:0.002,distance:7.615,ads_E:-0.005	ratio:0.94,dipole:-0.431,distance:2.731,ads_E:0.139	ratio:0.96,dipole:-0.291,distance:3.002,ads_E:0.057