ASE database

Displaying rows 1-8 out of 8

↓ ID ✕	Formula ✕	Volume ✕	Charge ✕	no_equ_16 ✕	no_equ_27 ✕	Calculator ✕
1	Cu₅₄Li	1730.483	0.000	ratio:1.9,dipole:-3.128,distance:12.609,ads_E:-0.058	-	vasp
2	BeCu₅₄	1730.483	0.000	ratio:1.5,dipole:-0.0113499,distance:6.50408,ads_E:-0.00416696	-	vasp
3	Cu₅₄B	1730.483	0.000	ratio:2.000,dipole:-1.008,distance:10.843,ads_E:-0.007	-	vasp
4	Cu₅₄C	1730.483	0.000	ratio:1.51,dipole:2.9677,distance:5.57616,ads_E:-0.10513	-	vasp
5	Cu₅₄N	1730.483	0.000	ratio:1.45,dipole:0.007,distance:5.116,ads_E:-0.007	-	vasp
6	Cu₅₄O	1730.483	0.000	ratio:2.100,dipole:4.187,distance:12.753,ads_E:-0.168	-	vasp
7	Cu₅₄F	1730.483	0.000	-	-	vasp
8	Cu₅₄Ar	1730.483	0.000	ratio:1.2,dipole:0.005,distance:6.259,ads_E:-0.006	ratio:1.42,dipole:0.000,distance:9.243,ads_E:-0.005	vasp