ASE database

Displaying rows 1-25 out of 594

↓ ID ✕	Formula ✕	atom_E ✕	no_equ_10 ✕	Dipole_val ✕	no_equ_19 ✕	no_equ_22 ✕	no_equ_2 ✕
1	Cu₅₄Li	-0.299	ratio:1.17,dipole:-3.222,distance:3.904,ads_E:-0.582	-2.989	-	-	ratio:0.93,dipole:-1.125,distance:1.042,ads_E:-1.567
2	BeCu₅₄	-0.039	ratio:1.2,dipole:-0.359907,distance:3.18592,ads_E:-0.372501	-0.069	-	-	ratio:0.93,dipole:0.340153,distance:0.19957,ads_E:-2.58415
3	Cu₅₄B	-0.349	ratio:1.200,dipole:0.935,distance:2.451,ads_E:-2.045	0.558	-	-	ratio:0.930,dipole:0.209,distance:-0.381,ads_E:-5.180
4	Cu₅₄C	-1.248	ratio:1.2,dipole:1.54212,distance:2.34852,ads_E:-2.29339	0.431	ratio:1.8,dipole:3.74248,distance:8.59558,ads_E:-0.0684837	-	ratio:0.93,dipole:0.104359,distance:-0.462661,ads_E:-5.77067
5	Cu₅₄N	-3.124	ratio:1.2,dipole:1.380,distance:2.488,ads_E:-0.433	0.356	ratio:1.6,dipole:0.009,distance:6.693,ads_E:-0.002	-	ratio:0.93,dipole:-0.001,distance:-0.350,ads_E:-4.156
6	Cu₅₄O	-1.533	ratio:1.200,dipole:3.021,distance:2.955,ads_E:-0.945	0.473	-	-	ratio:0.930,dipole:-0.058,distance:0.015,ads_E:-4.909
7	Cu₅₄F	-0.424	ratio:1.250,dipole:6.761,distance:4.069,ads_E:-1.287	0.677	-	-	ratio:0.930,dipole:0.015,distance:0.447,ads_E:-3.637
8	Cu₅₄Ar	-0.025	ratio:1.08,dipole:0.005,distance:4.631,ads_E:-0.014	-0.049	ratio:1.26,dipole:0.002,distance:7.073,ads_E:-0.005	ratio:1.32,dipole:0.002,distance:7.887,ads_E:-0.005	ratio:0.92,dipole:-0.596,distance:2.460,ads_E:0.278

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