ASE database

Displaying rows 1-8 out of 8

↓ ID ✕	Formula ✕	atom_E ✕	no_equ_4 ✕	no_equ_12 ✕	no_equ_26 ✕
1	Cu₅₄Li	-0.299	ratio:1,dipole:-2.353,distance:1.877,ads_E:-2.141	ratio:1.3,dipole:-2.555,distance:5.454,ads_E:-0.165	-
2	BeCu₅₄	-0.039	ratio:1,dipole:0.00345513,distance:0.973808,ads_E:-2.95616	ratio:1.3,dipole:-0.18803,distance:4.29197,ads_E:-0.0630632	-
3	Cu₅₄B	-0.349	ratio:1.000,dipole:0.557,distance:0.353,ads_E:-5.662	ratio:1.350,dipole:-0.748,distance:4.025,ads_E:-0.303	-
4	Cu₅₄C	-1.248	ratio:1,dipole:0.52283,distance:0.266163,ads_E:-6.42427	ratio:1.3,dipole:2.30687,distance:3.38969,ads_E:-0.486531	-
5	Cu₅₄N	-3.124	ratio:1,dipole:0.368,distance:0.386,ads_E:-4.725	ratio:1.3,dipole:0.575,distance:3.539,ads_E:-0.068	-
6	Cu₅₄O	-1.533	ratio:1.000,dipole:0.486,distance:0.778,ads_E:-5.406	ratio:1.310,dipole:3.768,distance:4.152,ads_E:-0.372	-
7	Cu₅₄F	-0.424	ratio:1.000,dipole:0.693,distance:1.239,ads_E:-4.335	ratio:1.450,dipole:8.949,distance:6.333,ads_E:-0.889	-
8	Cu₅₄Ar	-0.025	ratio:0.96,dipole:-0.291,distance:3.002,ads_E:0.057	ratio:1.12,dipole:0.009,distance:5.173,ads_E:-0.010	ratio:1.4,dipole:0.000,distance:8.972,ads_E:-0.005