ASE database

Displaying rows 1-8 out of 8

Formula ✕	no_equ_2 ✕	PBC ✕	no_equ_26 ✕	no_equ_31 ✕	no_equ_23 ✕
Cu₅₄Li	ratio:0.93,dipole:-1.125,distance:1.042,ads_E:-1.567	TTT	-	-	-
BeCu₅₄	ratio:0.93,dipole:0.340153,distance:0.19957,ads_E:-2.58415	TTT	-	-	-
Cu₅₄B	ratio:0.930,dipole:0.209,distance:-0.381,ads_E:-5.180	TTT	-	-	-
Cu₅₄C	ratio:0.93,dipole:0.104359,distance:-0.462661,ads_E:-5.77067	TTT	-	-	-
Cu₅₄N	ratio:0.93,dipole:-0.001,distance:-0.350,ads_E:-4.156	TTT	-	-	-
Cu₅₄O	ratio:0.930,dipole:-0.058,distance:0.015,ads_E:-4.909	TTT	-	-	-
Cu₅₄F	ratio:0.930,dipole:0.015,distance:0.447,ads_E:-3.637	TTT	-	-	-
Cu₅₄Ar	ratio:0.92,dipole:-0.596,distance:2.460,ads_E:0.278	TTT	ratio:1.4,dipole:0.000,distance:8.972,ads_E:-0.005	ratio:1.5,dipole:0.000,distance:10.329,ads_E:-0.005	ratio:1.34,dipole:0.001,distance:8.158,ads_E:-0.005