ASE database

Displaying rows 1-17 out of 17

↓ ID ✕	Formula ✕	Number of atoms ✕	no_equ_14 ✕	no_equ_24 ✕	no_equ_21 ✕	atom_E ✕	no_equ_17 ✕
1	Cu₅₄Li	55	ratio:1.5,dipole:-2.645,distance:7.839,ads_E:-0.084	-	-	-0.299	-
2	BeCu₅₄	55	ratio:1.4,dipole:-0.047443,distance:5.39803,ads_E:-0.0134448	-	-	-0.039	ratio:1.55,dipole:-0.00631543,distance:7.10066,ads_E:-0.00261613
3	Cu₅₄B	55	ratio:1.500,dipole:-0.465,distance:5.598,ads_E:-0.193	-	-	-0.349	ratio:2.100,dipole:-0.833,distance:11.891,ads_E:-0.007
4	Cu₅₄C	55	ratio:1.4,dipole:2.63066,distance:4.43087,ads_E:-0.175371	-	ratio:2.2,dipole:7.59718,distance:12.7603,ads_E:-0.0579928	-1.248	ratio:1.55,dipole:3.07149,distance:5.99264,ads_E:-0.095025
5	Cu₅₄N	55	ratio:1.36,dipole:-0.067,distance:4.254,ads_E:-0.030	-	-	-3.124	ratio:1.5,dipole:0.030,distance:5.736,ads_E:-0.004
6	Cu₅₄O	55	ratio:1.550,dipole:3.996,distance:6.765,ads_E:-0.507	-	-	-1.533	-
7	Cu₅₄F	55	ratio:1.600,dipole:10.431,distance:8.031,ads_E:-0.769	-	-	-0.424	-
8	Cu₅₄Ar	55	ratio:1.16,dipole:0.006,distance:5.716,ads_E:-0.008	ratio:1.36,dipole:0.001,distance:8.429,ads_E:-0.005	ratio:1.3,dipole:0.002,distance:7.615,ads_E:-0.005	-0.025	ratio:1.22,dipole:0.004,distance:6.530,ads_E:-0.006