ASE database

Displaying rows 1-8 out of 8

↓ ID ✕	Formula ✕	no_equ_31 ✕	Energy ✕	no_equ_10 ✕	no_equ_21 ✕
1	Cu₅₄Li	-	-193.113	ratio:1.17,dipole:-3.222,distance:3.904,ads_E:-0.582	-
2	BeCu₅₄	-	-193.566	ratio:1.2,dipole:-0.359907,distance:3.18592,ads_E:-0.372501	-
3	Cu₅₄B	-	-196.413	ratio:1.200,dipole:0.935,distance:2.451,ads_E:-2.045	-
4	Cu₅₄C	-	-198.094	ratio:1.2,dipole:1.54212,distance:2.34852,ads_E:-2.29339	ratio:2.2,dipole:7.59718,distance:12.7603,ads_E:-0.0579928
5	Cu₅₄N	-	-198.315	ratio:1.2,dipole:1.380,distance:2.488,ads_E:-0.433	-
6	Cu₅₄O	-	-197.510	ratio:1.200,dipole:3.021,distance:2.955,ads_E:-0.945	-
7	Cu₅₄F	-	-195.280	ratio:1.250,dipole:6.761,distance:4.069,ads_E:-1.287	-
8	Cu₅₄Ar	ratio:1.5,dipole:0.000,distance:10.329,ads_E:-0.005	-190.598	ratio:1.08,dipole:0.005,distance:4.631,ads_E:-0.014	ratio:1.3,dipole:0.002,distance:7.615,ads_E:-0.005