ASE database

Displaying rows 1-25 out of 594

↓ ID ✕	Formula ✕	Calculator ✕	Maximum stress ✕	no_equ_22 ✕	no_equ_8 ✕	no_equ_28 ✕
1	Cu₅₄Li	vasp	0.009	-	ratio:1.13,dipole:-3.714,distance:3.427,ads_E:-0.940	-
2	BeCu₅₄	vasp	0.008	-	ratio:1.13,dipole:-0.472991,distance:2.41168,ads_E:-1.3327	-
3	Cu₅₄B	vasp	0.008	-	ratio:1.130,dipole:0.870,distance:1.717,ads_E:-4.122	-
4	Cu₅₄C	vasp	0.008	-	ratio:1.13,dipole:1.19768,distance:1.61969,ads_E:-4.67472	-
5	Cu₅₄N	vasp	0.007	-	ratio:1.13,dipole:1.347,distance:1.752,ads_E:-2.917	-
6	Cu₅₄O	vasp	0.009	-	ratio:1.130,dipole:1.922,distance:2.193,ads_E:-2.973	-
7	Cu₅₄F	vasp	0.009	-	ratio:1.130,dipole:4.250,distance:2.711,ads_E:-2.537	-
8	Cu₅₄Ar	vasp	0.009	ratio:1.32,dipole:0.002,distance:7.887,ads_E:-0.005	ratio:1.04,dipole:-0.018,distance:4.088,ads_E:-0.017	ratio:1.44,dipole:0.000,distance:9.515,ads_E:-0.005

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