ASE database

Displaying rows 1-8 out of 8

↓ ID ✕	Formula ✕	no_equ_26 ✕	Calculator ✕	no_equ_4 ✕	Volume ✕
1	Cu₅₄Li	-	vasp	ratio:1,dipole:-2.353,distance:1.877,ads_E:-2.141	1730.483
2	BeCu₅₄	-	vasp	ratio:1,dipole:0.00345513,distance:0.973808,ads_E:-2.95616	1730.483
3	Cu₅₄B	-	vasp	ratio:1.000,dipole:0.557,distance:0.353,ads_E:-5.662	1730.483
4	Cu₅₄C	-	vasp	ratio:1,dipole:0.52283,distance:0.266163,ads_E:-6.42427	1730.483
5	Cu₅₄N	-	vasp	ratio:1,dipole:0.368,distance:0.386,ads_E:-4.725	1730.483
6	Cu₅₄O	-	vasp	ratio:1.000,dipole:0.486,distance:0.778,ads_E:-5.406	1730.483
7	Cu₅₄F	-	vasp	ratio:1.000,dipole:0.693,distance:1.239,ads_E:-4.335	1730.483
8	Cu₅₄Ar	ratio:1.4,dipole:0.000,distance:8.972,ads_E:-0.005	vasp	ratio:0.96,dipole:-0.291,distance:3.002,ads_E:0.057	1730.483