ASE database

Displaying rows 1-8 out of 8

↓ ID ✕	Formula ✕	no_equ_14 ✕	atom_E ✕	no_equ_9 ✕	no_equ_29 ✕
1	Cu₅₄Li	ratio:1.5,dipole:-2.645,distance:7.839,ads_E:-0.084	-0.299	ratio:1.15,dipole:-3.511,distance:3.666,ads_E:-0.744	-
2	BeCu₅₄	ratio:1.4,dipole:-0.047443,distance:5.39803,ads_E:-0.0134448	-0.039	ratio:1.16,dipole:-0.39644,distance:2.7435,ads_E:-0.772653	-
3	Cu₅₄B	ratio:1.500,dipole:-0.465,distance:5.598,ads_E:-0.193	-0.349	ratio:1.160,dipole:0.981,distance:2.032,ads_E:-3.278	-
4	Cu₅₄C	ratio:1.4,dipole:2.63066,distance:4.43087,ads_E:-0.175371	-1.248	ratio:1.16,dipole:1.37647,distance:1.93205,ads_E:-3.75037	-
5	Cu₅₄N	ratio:1.36,dipole:-0.067,distance:4.254,ads_E:-0.030	-3.124	ratio:1.16,dipole:1.554,distance:2.068,ads_E:-1.933	-
6	Cu₅₄O	ratio:1.550,dipole:3.996,distance:6.765,ads_E:-0.507	-1.533	ratio:1.160,dipole:2.453,distance:2.519,ads_E:-1.842	-
7	Cu₅₄F	ratio:1.600,dipole:10.431,distance:8.031,ads_E:-0.769	-0.424	ratio:1.160,dipole:5.403,distance:3.050,ads_E:-2.006	-
8	Cu₅₄Ar	ratio:1.16,dipole:0.006,distance:5.716,ads_E:-0.008	-0.025	ratio:1.06,dipole:-0.003,distance:4.359,ads_E:-0.016	ratio:1.46,dipole:0.000,distance:9.786,ads_E:-0.005