ASE database

Displaying rows 1-8 out of 8

↓ ID ✕	Formula ✕	Calculator ✕	no_equ_4 ✕	Maximum stress ✕	no_equ_21 ✕	ads_site ✕
1	Cu₅₄Li	vasp	ratio:1,dipole:-2.353,distance:1.877,ads_E:-2.141	0.009	-	f
2	BeCu₅₄	vasp	ratio:1,dipole:0.00345513,distance:0.973808,ads_E:-2.95616	0.008	-	f
3	Cu₅₄B	vasp	ratio:1.000,dipole:0.557,distance:0.353,ads_E:-5.662	0.008	-	f
4	Cu₅₄C	vasp	ratio:1,dipole:0.52283,distance:0.266163,ads_E:-6.42427	0.008	ratio:2.2,dipole:7.59718,distance:12.7603,ads_E:-0.0579928	f
5	Cu₅₄N	vasp	ratio:1,dipole:0.368,distance:0.386,ads_E:-4.725	0.007	-	f
6	Cu₅₄O	vasp	ratio:1.000,dipole:0.486,distance:0.778,ads_E:-5.406	0.009	-	f
7	Cu₅₄F	vasp	ratio:1.000,dipole:0.693,distance:1.239,ads_E:-4.335	0.009	-	f
8	Cu₅₄Ar	vasp	ratio:0.96,dipole:-0.291,distance:3.002,ads_E:0.057	0.009	ratio:1.3,dipole:0.002,distance:7.615,ads_E:-0.005	f