ASE database

Displaying rows 1-8 out of 8

Formula ✕	no_equ_24 ✕	no_equ_25 ✕	Energy ✕	no_equ_26 ✕	no_equ_2 ✕	Volume ✕	Charge ✕	no_equ_18 ✕	slab_E ✕
Cu₅₄Li	-	-	-193.113	-	ratio:0.93,dipole:-1.125,distance:1.042,ads_E:-1.567	1730.483	0.000	-	-190.592
BeCu₅₄	-	-	-193.566	-	ratio:0.93,dipole:0.340153,distance:0.19957,ads_E:-2.58415	1730.483	0.000	ratio:1.6,dipole:-0.00466727,distance:7.61014,ads_E:-0.0017761	-190.592
Cu₅₄B	-	-	-196.413	-	ratio:0.930,dipole:0.209,distance:-0.381,ads_E:-5.180	1730.483	0.000	-	-190.592
Cu₅₄C	-	-	-198.094	-	ratio:0.93,dipole:0.104359,distance:-0.462661,ads_E:-5.77067	1730.483	0.000	ratio:1.6,dipole:3.20521,distance:6.61329,ads_E:-0.0862335	-190.592
Cu₅₄N	-	-	-198.315	-	ratio:0.93,dipole:-0.001,distance:-0.350,ads_E:-4.156	1730.483	0.000	ratio:1.55,dipole:0.009,distance:6.168,ads_E:-0.002	-190.592
Cu₅₄O	-	-	-197.510	-	ratio:0.930,dipole:-0.058,distance:0.015,ads_E:-4.909	1730.483	0.000	-	-190.592
Cu₅₄F	-	-	-195.280	-	ratio:0.930,dipole:0.015,distance:0.447,ads_E:-3.637	1730.483	0.000	-	-190.592
Cu₅₄Ar	ratio:1.36,dipole:0.001,distance:8.429,ads_E:-0.005	ratio:1.38,dipole:0.000,distance:8.701,ads_E:-0.005	-190.598	ratio:1.4,dipole:0.000,distance:8.972,ads_E:-0.005	ratio:0.92,dipole:-0.596,distance:2.460,ads_E:0.278	1730.483	0.000	ratio:1.24,dipole:0.002,distance:6.801,ads_E:-0.005	-190.592