ASE database

Displaying rows 1-8 out of 8

↓ ID ✕	Formula ✕	no_equ_8 ✕	no_equ_31 ✕	Volume ✕	no_equ_17 ✕	plane_index ✕	PBC ✕	atom_E ✕
1	Cu₅₄Li	ratio:1.13,dipole:-3.714,distance:3.427,ads_E:-0.940	-	1730.483	-	100	TTT	-0.299
2	BeCu₅₄	ratio:1.13,dipole:-0.472991,distance:2.41168,ads_E:-1.3327	-	1730.483	ratio:1.55,dipole:-0.00631543,distance:7.10066,ads_E:-0.00261613	100	TTT	-0.039
3	Cu₅₄B	ratio:1.130,dipole:0.870,distance:1.717,ads_E:-4.122	-	1730.483	ratio:2.100,dipole:-0.833,distance:11.891,ads_E:-0.007	100	TTT	-0.349
4	Cu₅₄C	ratio:1.13,dipole:1.19768,distance:1.61969,ads_E:-4.67472	-	1730.483	ratio:1.55,dipole:3.07149,distance:5.99264,ads_E:-0.095025	100	TTT	-1.248
5	Cu₅₄N	ratio:1.13,dipole:1.347,distance:1.752,ads_E:-2.917	-	1730.483	ratio:1.5,dipole:0.030,distance:5.736,ads_E:-0.004	100	TTT	-3.124
6	Cu₅₄O	ratio:1.130,dipole:1.922,distance:2.193,ads_E:-2.973	-	1730.483	-	100	TTT	-1.533
7	Cu₅₄F	ratio:1.130,dipole:4.250,distance:2.711,ads_E:-2.537	-	1730.483	-	100	TTT	-0.424
8	Cu₅₄Ar	ratio:1.04,dipole:-0.018,distance:4.088,ads_E:-0.017	ratio:1.5,dipole:0.000,distance:10.329,ads_E:-0.005	1730.483	ratio:1.22,dipole:0.004,distance:6.530,ads_E:-0.006	100	TTT	-0.025