ASE database

Displaying rows 1-8 out of 8

↓ ID ✕	Formula ✕	no_equ_6 ✕	slab_E ✕	no_equ_10 ✕	ads_site ✕	Volume ✕
1	Cu₅₄Li	ratio:1.06,dipole:-3.520,distance:2.592,ads_E:-1.776	-190.592	ratio:1.17,dipole:-3.222,distance:3.904,ads_E:-0.582	f	1730.483
2	BeCu₅₄	ratio:1.06,dipole:-0.280091,distance:1.63744,ads_E:-2.62506	-190.592	ratio:1.2,dipole:-0.359907,distance:3.18592,ads_E:-0.372501	f	1730.483
3	Cu₅₄B	ratio:1.060,dipole:0.683,distance:0.983,ads_E:-5.361	-190.592	ratio:1.200,dipole:0.935,distance:2.451,ads_E:-2.045	f	1730.483
4	Cu₅₄C	ratio:1.06,dipole:0.76872,distance:0.890869,ads_E:-6.06915	-190.592	ratio:1.2,dipole:1.54212,distance:2.34852,ads_E:-2.29339	f	1730.483
5	Cu₅₄N	ratio:1.06,dipole:0.760,distance:1.016,ads_E:-4.404	-190.592	ratio:1.2,dipole:1.380,distance:2.488,ads_E:-0.433	f	1730.483
6	Cu₅₄O	ratio:1.060,dipole:1.037,distance:1.431,ads_E:-4.883	-190.592	ratio:1.200,dipole:3.021,distance:2.955,ads_E:-0.945	f	1730.483
7	Cu₅₄F	ratio:1.060,dipole:1.787,distance:1.918,ads_E:-3.859	-190.592	ratio:1.250,dipole:6.761,distance:4.069,ads_E:-1.287	f	1730.483
8	Cu₅₄Ar	ratio:1,dipole:-0.100,distance:3.545,ads_E:-0.007	-190.592	ratio:1.08,dipole:0.005,distance:4.631,ads_E:-0.014	f	1730.483