ASE database

Displaying rows 1-8 out of 8

↓ ID ✕	Formula ✕	Calculator ✕	no_equ_25 ✕	no_equ_4 ✕	no_equ_26 ✕
1	Cu₅₄Li	vasp	-	ratio:1,dipole:-2.353,distance:1.877,ads_E:-2.141	-
2	BeCu₅₄	vasp	-	ratio:1,dipole:0.00345513,distance:0.973808,ads_E:-2.95616	-
3	Cu₅₄B	vasp	-	ratio:1.000,dipole:0.557,distance:0.353,ads_E:-5.662	-
4	Cu₅₄C	vasp	-	ratio:1,dipole:0.52283,distance:0.266163,ads_E:-6.42427	-
5	Cu₅₄N	vasp	-	ratio:1,dipole:0.368,distance:0.386,ads_E:-4.725	-
6	Cu₅₄O	vasp	-	ratio:1.000,dipole:0.486,distance:0.778,ads_E:-5.406	-
7	Cu₅₄F	vasp	-	ratio:1.000,dipole:0.693,distance:1.239,ads_E:-4.335	-
8	Cu₅₄Ar	vasp	ratio:1.38,dipole:0.000,distance:8.701,ads_E:-0.005	ratio:0.96,dipole:-0.291,distance:3.002,ads_E:0.057	ratio:1.4,dipole:0.000,distance:8.972,ads_E:-0.005