ASE database

Displaying rows 1-8 out of 8

↓ ID ✕	Formula ✕	no_equ_27 ✕	no_equ_9 ✕	no_equ_12 ✕
1	Cu₅₄Li	-	ratio:1.15,dipole:-3.511,distance:3.666,ads_E:-0.744	ratio:1.3,dipole:-2.555,distance:5.454,ads_E:-0.165
2	BeCu₅₄	-	ratio:1.16,dipole:-0.39644,distance:2.7435,ads_E:-0.772653	ratio:1.3,dipole:-0.18803,distance:4.29197,ads_E:-0.0630632
3	Cu₅₄B	-	ratio:1.160,dipole:0.981,distance:2.032,ads_E:-3.278	ratio:1.350,dipole:-0.748,distance:4.025,ads_E:-0.303
4	Cu₅₄C	-	ratio:1.16,dipole:1.37647,distance:1.93205,ads_E:-3.75037	ratio:1.3,dipole:2.30687,distance:3.38969,ads_E:-0.486531
5	Cu₅₄N	-	ratio:1.16,dipole:1.554,distance:2.068,ads_E:-1.933	ratio:1.3,dipole:0.575,distance:3.539,ads_E:-0.068
6	Cu₅₄O	-	ratio:1.160,dipole:2.453,distance:2.519,ads_E:-1.842	ratio:1.310,dipole:3.768,distance:4.152,ads_E:-0.372
7	Cu₅₄F	-	ratio:1.160,dipole:5.403,distance:3.050,ads_E:-2.006	ratio:1.450,dipole:8.949,distance:6.333,ads_E:-0.889
8	Cu₅₄Ar	ratio:1.42,dipole:0.000,distance:9.243,ads_E:-0.005	ratio:1.06,dipole:-0.003,distance:4.359,ads_E:-0.016	ratio:1.12,dipole:0.009,distance:5.173,ads_E:-0.010