ASE database

Displaying rows 1-8 out of 8

↓ ID ✕	Formula ✕	no_equ_11 ✕	no_equ_14 ✕	Dipole_val ✕	plane_index ✕	Number of atoms ✕	PBC ✕	Username ✕	no_equ_30 ✕
1	Cu₅₄Li	ratio:1.25,dipole:-2.667,distance:4.858,ads_E:-0.244	ratio:1.5,dipole:-2.645,distance:7.839,ads_E:-0.084	-2.989	100	55	TTT	hecc	-
2	BeCu₅₄	ratio:1.25,dipole:-0.291055,distance:3.73895,ads_E:-0.152313	ratio:1.4,dipole:-0.047443,distance:5.39803,ads_E:-0.0134448	-0.069	100	55	TTT	hecc	-
3	Cu₅₄B	ratio:1.250,dipole:-0.107,distance:2.976,ads_E:-0.989	ratio:1.500,dipole:-0.465,distance:5.598,ads_E:-0.193	0.558	100	55	TTT	hecc	-
4	Cu₅₄C	ratio:1.25,dipole:1.94527,distance:2.86911,ads_E:-0.945693	ratio:1.4,dipole:2.63066,distance:4.43087,ads_E:-0.175371	0.431	100	55	TTT	hecc	-
5	Cu₅₄N	ratio:1.25,dipole:0.908,distance:3.014,ads_E:-0.162	ratio:1.36,dipole:-0.067,distance:4.254,ads_E:-0.030	0.356	100	55	TTT	hecc	-
6	Cu₅₄O	ratio:1.250,dipole:3.446,distance:3.499,ads_E:-0.537	ratio:1.550,dipole:3.996,distance:6.765,ads_E:-0.507	0.473	100	55	TTT	hecc	-
7	Cu₅₄F	ratio:1.300,dipole:7.369,distance:4.635,ads_E:-1.125	ratio:1.600,dipole:10.431,distance:8.031,ads_E:-0.769	0.677	100	55	TTT	hecc	-
8	Cu₅₄Ar	ratio:1.1,dipole:0.008,distance:4.902,ads_E:-0.012	ratio:1.16,dipole:0.006,distance:5.716,ads_E:-0.008	-0.049	100	55	TTT	hecc	ratio:1.48,dipole:0.000,distance:10.057,ads_E:-0.005