ASE database

Displaying rows 1-8 out of 8

↓ ID ✕	Formula ✕	Maximum stress ✕	Maximum force ✕	Charge ✕	no_equ_18 ✕	str_E ✕	no_equ_20 ✕	no_equ_29 ✕
1	Cu₅₄Li	0.009	0.009	0.000	-	-193.113	-	-
2	BeCu₅₄	0.008	0.010	0.000	ratio:1.6,dipole:-0.00466727,distance:7.61014,ads_E:-0.0017761	-193.566	-	-
3	Cu₅₄B	0.008	0.005	0.000	-	-196.413	-	-
4	Cu₅₄C	0.008	0.010	0.000	ratio:1.6,dipole:3.20521,distance:6.61329,ads_E:-0.0862335	-198.094	ratio:2.1,dipole:5.51535,distance:11.7191,ads_E:-0.0591715	-
5	Cu₅₄N	0.007	0.005	0.000	ratio:1.55,dipole:0.009,distance:6.168,ads_E:-0.002	-198.315	-	-
6	Cu₅₄O	0.009	0.008	0.000	-	-197.510	-	-
7	Cu₅₄F	0.009	0.006	0.000	-	-195.280	-	-
8	Cu₅₄Ar	0.009	0.007	0.000	ratio:1.24,dipole:0.002,distance:6.801,ads_E:-0.005	-190.598	ratio:1.28,dipole:0.001,distance:7.344,ads_E:-0.005	ratio:1.46,dipole:0.000,distance:9.786,ads_E:-0.005