ASE database

Displaying rows 1-8 out of 8

↓ ID ✕	Formula ✕	ads_E ✕	no_equ_6 ✕	Maximum force ✕	no_equ_22 ✕
1	Cu₅₄Li	-2.222	ratio:1.06,dipole:-3.520,distance:2.592,ads_E:-1.776	0.009	-
2	BeCu₅₄	-2.934	ratio:1.06,dipole:-0.280091,distance:1.63744,ads_E:-2.62506	0.010	-
3	Cu₅₄B	-5.472	ratio:1.060,dipole:0.683,distance:0.983,ads_E:-5.361	0.005	-
4	Cu₅₄C	-6.254	ratio:1.06,dipole:0.76872,distance:0.890869,ads_E:-6.06915	0.010	-
5	Cu₅₄N	-4.599	ratio:1.06,dipole:0.760,distance:1.016,ads_E:-4.404	0.005	-
6	Cu₅₄O	-5.385	ratio:1.060,dipole:1.037,distance:1.431,ads_E:-4.883	0.008	-
7	Cu₅₄F	-4.264	ratio:1.060,dipole:1.787,distance:1.918,ads_E:-3.859	0.006	-
8	Cu₅₄Ar	0.020	ratio:1,dipole:-0.100,distance:3.545,ads_E:-0.007	0.007	ratio:1.32,dipole:0.002,distance:7.887,ads_E:-0.005