ASE database

Displaying rows 1-8 out of 8

↓ ID ✕	Formula ✕	ads_E ✕	no_equ_21 ✕	no_equ_1 ✕	no_equ_13 ✕
1	Cu₅₄Li	-2.222	-	ratio:0.9,dipole:-0.645,distance:0.684,ads_E:-1.046	ratio:1.35,dipole:-2.533,distance:6.051,ads_E:-0.126
2	BeCu₅₄	-2.934	-	ratio:0.9,dipole:0.302883,distance:-0.132247,ads_E:-2.36046	ratio:1.35,dipole:-0.0991408,distance:4.845,ads_E:-0.0276465
3	Cu₅₄B	-5.472	-	ratio:0.900,dipole:-0.012,distance:-0.696,ads_E:-4.781	ratio:1.400,dipole:-0.694,distance:4.626,ads_E:-0.236
4	Cu₅₄C	-6.254	ratio:2.2,dipole:7.59718,distance:12.7603,ads_E:-0.0579928	ratio:0.9,dipole:-0.0331232,distance:-0.775014,ads_E:-5.11493	ratio:1.35,dipole:2.50975,distance:3.91028,ads_E:-0.271632
5	Cu₅₄N	-4.599	-	ratio:0.9,dipole:-0.149,distance:-0.666,ads_E:-3.448	ratio:1.33,dipole:0.416,distance:3.855,ads_E:-0.042
6	Cu₅₄O	-5.385	-	ratio:0.900,dipole:-0.175,distance:-0.311,ads_E:-4.372	ratio:1.350,dipole:3.982,distance:4.588,ads_E:-0.321
7	Cu₅₄F	-4.264	-	ratio:0.900,dipole:-0.137,distance:0.107,ads_E:-3.084	ratio:1.550,dipole:9.933,distance:7.465,ads_E:-0.801
8	Cu₅₄Ar	0.020	ratio:1.3,dipole:0.002,distance:7.615,ads_E:-0.005	ratio:0.9,dipole:-0.757,distance:2.324,ads_E:0.500	ratio:1.14,dipole:0.008,distance:5.445,ads_E:-0.009