ASE database

Displaying rows 1-8 out of 8

↓ ID ✕	Formula ✕	Charge ✕	no_equ_1 ✕	no_equ_14 ✕
1	Cu₅₄Li	0.000	ratio:0.9,dipole:-0.645,distance:0.684,ads_E:-1.046	ratio:1.5,dipole:-2.645,distance:7.839,ads_E:-0.084
2	BeCu₅₄	0.000	ratio:0.9,dipole:0.302883,distance:-0.132247,ads_E:-2.36046	ratio:1.4,dipole:-0.047443,distance:5.39803,ads_E:-0.0134448
3	Cu₅₄B	0.000	ratio:0.900,dipole:-0.012,distance:-0.696,ads_E:-4.781	ratio:1.500,dipole:-0.465,distance:5.598,ads_E:-0.193
4	Cu₅₄C	0.000	ratio:0.9,dipole:-0.0331232,distance:-0.775014,ads_E:-5.11493	ratio:1.4,dipole:2.63066,distance:4.43087,ads_E:-0.175371
5	Cu₅₄N	0.000	ratio:0.9,dipole:-0.149,distance:-0.666,ads_E:-3.448	ratio:1.36,dipole:-0.067,distance:4.254,ads_E:-0.030
6	Cu₅₄O	0.000	ratio:0.900,dipole:-0.175,distance:-0.311,ads_E:-4.372	ratio:1.550,dipole:3.996,distance:6.765,ads_E:-0.507
7	Cu₅₄F	0.000	ratio:0.900,dipole:-0.137,distance:0.107,ads_E:-3.084	ratio:1.600,dipole:10.431,distance:8.031,ads_E:-0.769
8	Cu₅₄Ar	0.000	ratio:0.9,dipole:-0.757,distance:2.324,ads_E:0.500	ratio:1.16,dipole:0.006,distance:5.716,ads_E:-0.008