ASE database

Displaying rows 1-25 out of 594

↓ ID ✕	Formula ✕	Energy ✕	no_equ_3 ✕	plane_index ✕	no_equ_25 ✕
1	Cu₅₄Li	-193.113	ratio:0.96,dipole:-1.624,distance:1.400,ads_E:-1.949	100	-
2	BeCu₅₄	-193.566	ratio:0.96,dipole:0.234375,distance:0.531386,ads_E:-2.83237	100	-
3	Cu₅₄B	-196.413	ratio:0.960,dipole:0.398,distance:-0.066,ads_E:-5.490	100	-
4	Cu₅₄C	-198.094	ratio:0.96,dipole:0.291413,distance:-0.150308,ads_E:-6.20762	100	-
5	Cu₅₄N	-198.315	ratio:0.96,dipole:0.160,distance:-0.035,ads_E:-4.570	100	-
6	Cu₅₄O	-197.510	ratio:0.960,dipole:0.131,distance:0.342,ads_E:-5.226	100	-
7	Cu₅₄F	-195.280	ratio:0.960,dipole:0.260,distance:0.787,ads_E:-4.090	100	-
8	Cu₅₄Ar	-190.598	ratio:0.94,dipole:-0.431,distance:2.731,ads_E:0.139	100	ratio:1.38,dipole:0.000,distance:8.701,ads_E:-0.005

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