ASE database

Displaying rows 1-8 out of 8

↓ ID ✕	Formula ✕	Number of atoms ✕	no_equ_18 ✕	no_equ_3 ✕
1	Cu₅₄Li	55	-	ratio:0.96,dipole:-1.624,distance:1.400,ads_E:-1.949
2	BeCu₅₄	55	ratio:1.6,dipole:-0.00466727,distance:7.61014,ads_E:-0.0017761	ratio:0.96,dipole:0.234375,distance:0.531386,ads_E:-2.83237
3	Cu₅₄B	55	-	ratio:0.960,dipole:0.398,distance:-0.066,ads_E:-5.490
4	Cu₅₄C	55	ratio:1.6,dipole:3.20521,distance:6.61329,ads_E:-0.0862335	ratio:0.96,dipole:0.291413,distance:-0.150308,ads_E:-6.20762
5	Cu₅₄N	55	ratio:1.55,dipole:0.009,distance:6.168,ads_E:-0.002	ratio:0.96,dipole:0.160,distance:-0.035,ads_E:-4.570
6	Cu₅₄O	55	-	ratio:0.960,dipole:0.131,distance:0.342,ads_E:-5.226
7	Cu₅₄F	55	-	ratio:0.960,dipole:0.260,distance:0.787,ads_E:-4.090
8	Cu₅₄Ar	55	ratio:1.24,dipole:0.002,distance:6.801,ads_E:-0.005	ratio:0.94,dipole:-0.431,distance:2.731,ads_E:0.139