ASE database

Displaying rows 1-8 out of 8

↓ ID ✕	Formula ✕	no_equ_24 ✕	no_equ_31 ✕	no_equ_9 ✕	Maximum force ✕	str_E ✕	no_equ_28 ✕	atom_E ✕
1	Cu₅₄Li	-	-	ratio:1.15,dipole:-3.511,distance:3.666,ads_E:-0.744	0.009	-193.113	-	-0.299
2	BeCu₅₄	-	-	ratio:1.16,dipole:-0.39644,distance:2.7435,ads_E:-0.772653	0.010	-193.566	-	-0.039
3	Cu₅₄B	-	-	ratio:1.160,dipole:0.981,distance:2.032,ads_E:-3.278	0.005	-196.413	-	-0.349
4	Cu₅₄C	-	-	ratio:1.16,dipole:1.37647,distance:1.93205,ads_E:-3.75037	0.010	-198.094	-	-1.248
5	Cu₅₄N	-	-	ratio:1.16,dipole:1.554,distance:2.068,ads_E:-1.933	0.005	-198.315	-	-3.124
6	Cu₅₄O	-	-	ratio:1.160,dipole:2.453,distance:2.519,ads_E:-1.842	0.008	-197.510	-	-1.533
7	Cu₅₄F	-	-	ratio:1.160,dipole:5.403,distance:3.050,ads_E:-2.006	0.006	-195.280	-	-0.424
8	Cu₅₄Ar	ratio:1.36,dipole:0.001,distance:8.429,ads_E:-0.005	ratio:1.5,dipole:0.000,distance:10.329,ads_E:-0.005	ratio:1.06,dipole:-0.003,distance:4.359,ads_E:-0.016	0.007	-190.598	ratio:1.44,dipole:0.000,distance:9.515,ads_E:-0.005	-0.025