ASE database

Displaying rows 1-8 out of 8

↓ ID ✕	Formula ✕	Energy ✕	no_equ_9 ✕	no_equ_28 ✕
1	Cu₅₄Li	-193.113	ratio:1.15,dipole:-3.511,distance:3.666,ads_E:-0.744	-
2	BeCu₅₄	-193.566	ratio:1.16,dipole:-0.39644,distance:2.7435,ads_E:-0.772653	-
3	Cu₅₄B	-196.413	ratio:1.160,dipole:0.981,distance:2.032,ads_E:-3.278	-
4	Cu₅₄C	-198.094	ratio:1.16,dipole:1.37647,distance:1.93205,ads_E:-3.75037	-
5	Cu₅₄N	-198.315	ratio:1.16,dipole:1.554,distance:2.068,ads_E:-1.933	-
6	Cu₅₄O	-197.510	ratio:1.160,dipole:2.453,distance:2.519,ads_E:-1.842	-
7	Cu₅₄F	-195.280	ratio:1.160,dipole:5.403,distance:3.050,ads_E:-2.006	-
8	Cu₅₄Ar	-190.598	ratio:1.06,dipole:-0.003,distance:4.359,ads_E:-0.016	ratio:1.44,dipole:0.000,distance:9.515,ads_E:-0.005