ASE database

Displaying rows 1-8 out of 8

↓ ID ✕	Formula ✕	Number of atoms ✕	ads_E ✕	no_equ_8 ✕	no_equ_7 ✕
1	Cu₅₄Li	55	-2.222	ratio:1.13,dipole:-3.714,distance:3.427,ads_E:-0.940	ratio:1.1,dipole:-4.039,distance:3.069,ads_E:-1.290
2	BeCu₅₄	55	-2.934	ratio:1.13,dipole:-0.472991,distance:2.41168,ads_E:-1.3327	ratio:1.1,dipole:-0.434967,distance:2.07986,ads_E:-1.97799
3	Cu₅₄B	55	-5.472	ratio:1.130,dipole:0.870,distance:1.717,ads_E:-4.122	ratio:1.100,dipole:0.778,distance:1.402,ads_E:-4.794
4	Cu₅₄C	55	-6.254	ratio:1.13,dipole:1.19768,distance:1.61969,ads_E:-4.67472	ratio:1.1,dipole:1.00519,distance:1.30734,ads_E:-5.4061
5	Cu₅₄N	55	-4.599	ratio:1.13,dipole:1.347,distance:1.752,ads_E:-2.917	ratio:1.1,dipole:1.088,distance:1.437,ads_E:-3.705
6	Cu₅₄O	55	-5.385	ratio:1.130,dipole:1.922,distance:2.193,ads_E:-2.973	ratio:1.100,dipole:1.502,distance:1.866,ads_E:-3.941
7	Cu₅₄F	55	-4.264	ratio:1.130,dipole:4.250,distance:2.711,ads_E:-2.537	ratio:1.100,dipole:3.086,distance:2.371,ads_E:-3.138
8	Cu₅₄Ar	55	0.020	ratio:1.04,dipole:-0.018,distance:4.088,ads_E:-0.017	ratio:1.02,dipole:-0.049,distance:3.817,ads_E:-0.015