ASE database

Displaying rows 1-8 out of 8

↓ ID ✕	Formula ✕	no_equ_7 ✕	ads_site ✕	no_equ_25 ✕	no_equ_11 ✕	Energy ✕
1	Cu₅₄Li	ratio:1.1,dipole:-4.039,distance:3.069,ads_E:-1.290	f	-	ratio:1.25,dipole:-2.667,distance:4.858,ads_E:-0.244	-193.113
2	BeCu₅₄	ratio:1.1,dipole:-0.434967,distance:2.07986,ads_E:-1.97799	f	-	ratio:1.25,dipole:-0.291055,distance:3.73895,ads_E:-0.152313	-193.566
3	Cu₅₄B	ratio:1.100,dipole:0.778,distance:1.402,ads_E:-4.794	f	-	ratio:1.250,dipole:-0.107,distance:2.976,ads_E:-0.989	-196.413
4	Cu₅₄C	ratio:1.1,dipole:1.00519,distance:1.30734,ads_E:-5.4061	f	-	ratio:1.25,dipole:1.94527,distance:2.86911,ads_E:-0.945693	-198.094
5	Cu₅₄N	ratio:1.1,dipole:1.088,distance:1.437,ads_E:-3.705	f	-	ratio:1.25,dipole:0.908,distance:3.014,ads_E:-0.162	-198.315
6	Cu₅₄O	ratio:1.100,dipole:1.502,distance:1.866,ads_E:-3.941	f	-	ratio:1.250,dipole:3.446,distance:3.499,ads_E:-0.537	-197.510
7	Cu₅₄F	ratio:1.100,dipole:3.086,distance:2.371,ads_E:-3.138	f	-	ratio:1.300,dipole:7.369,distance:4.635,ads_E:-1.125	-195.280
8	Cu₅₄Ar	ratio:1.02,dipole:-0.049,distance:3.817,ads_E:-0.015	f	ratio:1.38,dipole:0.000,distance:8.701,ads_E:-0.005	ratio:1.1,dipole:0.008,distance:4.902,ads_E:-0.012	-190.598