ASE database

Displaying rows 1-25 out of 127

Formula ✕	ads_site ✕	Number of atoms ✕	no_equ_10 ✕	no_equ_23 ✕	no_equ_28 ✕
Cu₅₄Li	f	55	ratio:1.17,dipole:-3.222,distance:3.904,ads_E:-0.582	-	-
BeCu₅₄	f	55	ratio:1.2,dipole:-0.359907,distance:3.18592,ads_E:-0.372501	-	-
Cu₅₄B	f	55	ratio:1.200,dipole:0.935,distance:2.451,ads_E:-2.045	-	-
Cu₅₄C	f	55	ratio:1.2,dipole:1.54212,distance:2.34852,ads_E:-2.29339	-	-
Cu₅₄N	f	55	ratio:1.2,dipole:1.380,distance:2.488,ads_E:-0.433	-	-
Cu₅₄O	f	55	ratio:1.200,dipole:3.021,distance:2.955,ads_E:-0.945	-	-
Cu₅₄F	f	55	ratio:1.250,dipole:6.761,distance:4.069,ads_E:-1.287	-	-
Cu₅₄Ar	f	55	ratio:1.08,dipole:0.005,distance:4.631,ads_E:-0.014	ratio:1.34,dipole:0.001,distance:8.158,ads_E:-0.005	ratio:1.44,dipole:0.000,distance:9.515,ads_E:-0.005