ASE database

Displaying rows 1-8 out of 8

↓ ID ✕	Formula ✕	no_equ_30 ✕	no_equ_7 ✕	Energy ✕	no_equ_8 ✕	no_equ_22 ✕
1	Cu₅₄Li	-	ratio:1.1,dipole:-4.039,distance:3.069,ads_E:-1.290	-193.113	ratio:1.13,dipole:-3.714,distance:3.427,ads_E:-0.940	-
2	BeCu₅₄	-	ratio:1.1,dipole:-0.434967,distance:2.07986,ads_E:-1.97799	-193.566	ratio:1.13,dipole:-0.472991,distance:2.41168,ads_E:-1.3327	-
3	Cu₅₄B	-	ratio:1.100,dipole:0.778,distance:1.402,ads_E:-4.794	-196.413	ratio:1.130,dipole:0.870,distance:1.717,ads_E:-4.122	-
4	Cu₅₄C	-	ratio:1.1,dipole:1.00519,distance:1.30734,ads_E:-5.4061	-198.094	ratio:1.13,dipole:1.19768,distance:1.61969,ads_E:-4.67472	-
5	Cu₅₄N	-	ratio:1.1,dipole:1.088,distance:1.437,ads_E:-3.705	-198.315	ratio:1.13,dipole:1.347,distance:1.752,ads_E:-2.917	-
6	Cu₅₄O	-	ratio:1.100,dipole:1.502,distance:1.866,ads_E:-3.941	-197.510	ratio:1.130,dipole:1.922,distance:2.193,ads_E:-2.973	-
7	Cu₅₄F	-	ratio:1.100,dipole:3.086,distance:2.371,ads_E:-3.138	-195.280	ratio:1.130,dipole:4.250,distance:2.711,ads_E:-2.537	-
8	Cu₅₄Ar	ratio:1.48,dipole:0.000,distance:10.057,ads_E:-0.005	ratio:1.02,dipole:-0.049,distance:3.817,ads_E:-0.015	-190.598	ratio:1.04,dipole:-0.018,distance:4.088,ads_E:-0.017	ratio:1.32,dipole:0.002,distance:7.887,ads_E:-0.005