ASE database

Displaying rows 1-8 out of 8

↓ ID ✕	Formula ✕	no_equ_8 ✕	no_equ_24 ✕	no_equ_14 ✕	Maximum force ✕
1	Cu₅₄Li	ratio:1.13,dipole:-3.714,distance:3.427,ads_E:-0.940	-	ratio:1.5,dipole:-2.645,distance:7.839,ads_E:-0.084	0.009
2	BeCu₅₄	ratio:1.13,dipole:-0.472991,distance:2.41168,ads_E:-1.3327	-	ratio:1.4,dipole:-0.047443,distance:5.39803,ads_E:-0.0134448	0.010
3	Cu₅₄B	ratio:1.130,dipole:0.870,distance:1.717,ads_E:-4.122	-	ratio:1.500,dipole:-0.465,distance:5.598,ads_E:-0.193	0.005
4	Cu₅₄C	ratio:1.13,dipole:1.19768,distance:1.61969,ads_E:-4.67472	-	ratio:1.4,dipole:2.63066,distance:4.43087,ads_E:-0.175371	0.010
5	Cu₅₄N	ratio:1.13,dipole:1.347,distance:1.752,ads_E:-2.917	-	ratio:1.36,dipole:-0.067,distance:4.254,ads_E:-0.030	0.005
6	Cu₅₄O	ratio:1.130,dipole:1.922,distance:2.193,ads_E:-2.973	-	ratio:1.550,dipole:3.996,distance:6.765,ads_E:-0.507	0.008
7	Cu₅₄F	ratio:1.130,dipole:4.250,distance:2.711,ads_E:-2.537	-	ratio:1.600,dipole:10.431,distance:8.031,ads_E:-0.769	0.006
8	Cu₅₄Ar	ratio:1.04,dipole:-0.018,distance:4.088,ads_E:-0.017	ratio:1.36,dipole:0.001,distance:8.429,ads_E:-0.005	ratio:1.16,dipole:0.006,distance:5.716,ads_E:-0.008	0.007