ASE database

Displaying rows 1-8 out of 8

↓ ID ✕	Formula ✕	no_equ_8 ✕	no_equ_16 ✕	Calculator ✕
1	Cu₅₄Li	ratio:1.13,dipole:-3.714,distance:3.427,ads_E:-0.940	ratio:1.9,dipole:-3.128,distance:12.609,ads_E:-0.058	vasp
2	BeCu₅₄	ratio:1.13,dipole:-0.472991,distance:2.41168,ads_E:-1.3327	ratio:1.5,dipole:-0.0113499,distance:6.50408,ads_E:-0.00416696	vasp
3	Cu₅₄B	ratio:1.130,dipole:0.870,distance:1.717,ads_E:-4.122	ratio:2.000,dipole:-1.008,distance:10.843,ads_E:-0.007	vasp
4	Cu₅₄C	ratio:1.13,dipole:1.19768,distance:1.61969,ads_E:-4.67472	ratio:1.51,dipole:2.9677,distance:5.57616,ads_E:-0.10513	vasp
5	Cu₅₄N	ratio:1.13,dipole:1.347,distance:1.752,ads_E:-2.917	ratio:1.45,dipole:0.007,distance:5.116,ads_E:-0.007	vasp
6	Cu₅₄O	ratio:1.130,dipole:1.922,distance:2.193,ads_E:-2.973	ratio:2.100,dipole:4.187,distance:12.753,ads_E:-0.168	vasp
7	Cu₅₄F	ratio:1.130,dipole:4.250,distance:2.711,ads_E:-2.537	-	vasp
8	Cu₅₄Ar	ratio:1.04,dipole:-0.018,distance:4.088,ads_E:-0.017	ratio:1.2,dipole:0.005,distance:6.259,ads_E:-0.006	vasp