ASE database

Displaying rows 1-8 out of 8

↓ ID ✕	Formula ✕	str_E ✕	no_equ_29 ✕	no_equ_3 ✕	no_equ_19 ✕	no_equ_22 ✕
1	Cu₅₄Li	-193.113	-	ratio:0.96,dipole:-1.624,distance:1.400,ads_E:-1.949	-	-
2	BeCu₅₄	-193.566	-	ratio:0.96,dipole:0.234375,distance:0.531386,ads_E:-2.83237	-	-
3	Cu₅₄B	-196.413	-	ratio:0.960,dipole:0.398,distance:-0.066,ads_E:-5.490	-	-
4	Cu₅₄C	-198.094	-	ratio:0.96,dipole:0.291413,distance:-0.150308,ads_E:-6.20762	ratio:1.8,dipole:3.74248,distance:8.59558,ads_E:-0.0684837	-
5	Cu₅₄N	-198.315	-	ratio:0.96,dipole:0.160,distance:-0.035,ads_E:-4.570	ratio:1.6,dipole:0.009,distance:6.693,ads_E:-0.002	-
6	Cu₅₄O	-197.510	-	ratio:0.960,dipole:0.131,distance:0.342,ads_E:-5.226	-	-
7	Cu₅₄F	-195.280	-	ratio:0.960,dipole:0.260,distance:0.787,ads_E:-4.090	-	-
8	Cu₅₄Ar	-190.598	ratio:1.46,dipole:0.000,distance:9.786,ads_E:-0.005	ratio:0.94,dipole:-0.431,distance:2.731,ads_E:0.139	ratio:1.26,dipole:0.002,distance:7.073,ads_E:-0.005	ratio:1.32,dipole:0.002,distance:7.887,ads_E:-0.005