ASE database

Displaying rows 1-8 out of 8

↓ ID ✕	Formula ✕	slab_E ✕	Charge ✕	Age ✕	no_equ_17 ✕	no_equ_10 ✕	ads_E ✕
1	Cu₅₄Li	-190.592	0.000	13M	-	ratio:1.17,dipole:-3.222,distance:3.904,ads_E:-0.582	-2.222
2	BeCu₅₄	-190.592	0.000	13M	ratio:1.55,dipole:-0.00631543,distance:7.10066,ads_E:-0.00261613	ratio:1.2,dipole:-0.359907,distance:3.18592,ads_E:-0.372501	-2.934
3	Cu₅₄B	-190.592	0.000	13M	ratio:2.100,dipole:-0.833,distance:11.891,ads_E:-0.007	ratio:1.200,dipole:0.935,distance:2.451,ads_E:-2.045	-5.472
4	Cu₅₄C	-190.592	0.000	13M	ratio:1.55,dipole:3.07149,distance:5.99264,ads_E:-0.095025	ratio:1.2,dipole:1.54212,distance:2.34852,ads_E:-2.29339	-6.254
5	Cu₅₄N	-190.592	0.000	13M	ratio:1.5,dipole:0.030,distance:5.736,ads_E:-0.004	ratio:1.2,dipole:1.380,distance:2.488,ads_E:-0.433	-4.599
6	Cu₅₄O	-190.592	0.000	13M	-	ratio:1.200,dipole:3.021,distance:2.955,ads_E:-0.945	-5.385
7	Cu₅₄F	-190.592	0.000	13M	-	ratio:1.250,dipole:6.761,distance:4.069,ads_E:-1.287	-4.264
8	Cu₅₄Ar	-190.592	0.000	13M	ratio:1.22,dipole:0.004,distance:6.530,ads_E:-0.006	ratio:1.08,dipole:0.005,distance:4.631,ads_E:-0.014	0.020