ASE database

Displaying rows 1-8 out of 8

Formula ✕	PBC ✕	no_equ_9 ✕	no_equ_10 ✕	no_equ_22 ✕
Cu₅₄Li	TTT	ratio:1.15,dipole:-3.511,distance:3.666,ads_E:-0.744	ratio:1.17,dipole:-3.222,distance:3.904,ads_E:-0.582	-
BeCu₅₄	TTT	ratio:1.16,dipole:-0.39644,distance:2.7435,ads_E:-0.772653	ratio:1.2,dipole:-0.359907,distance:3.18592,ads_E:-0.372501	-
Cu₅₄B	TTT	ratio:1.160,dipole:0.981,distance:2.032,ads_E:-3.278	ratio:1.200,dipole:0.935,distance:2.451,ads_E:-2.045	-
Cu₅₄C	TTT	ratio:1.16,dipole:1.37647,distance:1.93205,ads_E:-3.75037	ratio:1.2,dipole:1.54212,distance:2.34852,ads_E:-2.29339	-
Cu₅₄N	TTT	ratio:1.16,dipole:1.554,distance:2.068,ads_E:-1.933	ratio:1.2,dipole:1.380,distance:2.488,ads_E:-0.433	-
Cu₅₄O	TTT	ratio:1.160,dipole:2.453,distance:2.519,ads_E:-1.842	ratio:1.200,dipole:3.021,distance:2.955,ads_E:-0.945	-
Cu₅₄F	TTT	ratio:1.160,dipole:5.403,distance:3.050,ads_E:-2.006	ratio:1.250,dipole:6.761,distance:4.069,ads_E:-1.287	-
Cu₅₄Ar	TTT	ratio:1.06,dipole:-0.003,distance:4.359,ads_E:-0.016	ratio:1.08,dipole:0.005,distance:4.631,ads_E:-0.014	ratio:1.32,dipole:0.002,distance:7.887,ads_E:-0.005