ASE database

Displaying rows 1-25 out of 31

↓ ID ✕	Formula ✕	Maximum force ✕	Volume ✕	no_equ_9 ✕	no_equ_21 ✕	atom_E ✕
1	Cu₅₄Li	0.009	1730.483	ratio:1.15,dipole:-3.511,distance:3.666,ads_E:-0.744	-	-0.299
2	BeCu₅₄	0.010	1730.483	ratio:1.16,dipole:-0.39644,distance:2.7435,ads_E:-0.772653	-	-0.039
3	Cu₅₄B	0.005	1730.483	ratio:1.160,dipole:0.981,distance:2.032,ads_E:-3.278	-	-0.349
4	Cu₅₄C	0.010	1730.483	ratio:1.16,dipole:1.37647,distance:1.93205,ads_E:-3.75037	ratio:2.2,dipole:7.59718,distance:12.7603,ads_E:-0.0579928	-1.248
5	Cu₅₄N	0.005	1730.483	ratio:1.16,dipole:1.554,distance:2.068,ads_E:-1.933	-	-3.124
6	Cu₅₄O	0.008	1730.483	ratio:1.160,dipole:2.453,distance:2.519,ads_E:-1.842	-	-1.533
7	Cu₅₄F	0.006	1730.483	ratio:1.160,dipole:5.403,distance:3.050,ads_E:-2.006	-	-0.424
8	Cu₅₄Ar	0.007	1730.483	ratio:1.06,dipole:-0.003,distance:4.359,ads_E:-0.016	ratio:1.3,dipole:0.002,distance:7.615,ads_E:-0.005	-0.025