ASE database

Displaying rows 1-25 out of 594

Formula ✕	atom_E ✕	Charge ✕	no_equ_13 ✕	ads_E ✕
Cu₅₄Li	-0.299	0.000	ratio:1.35,dipole:-2.533,distance:6.051,ads_E:-0.126	-2.222
BeCu₅₄	-0.039	0.000	ratio:1.35,dipole:-0.0991408,distance:4.845,ads_E:-0.0276465	-2.934
Cu₅₄B	-0.349	0.000	ratio:1.400,dipole:-0.694,distance:4.626,ads_E:-0.236	-5.472
Cu₅₄C	-1.248	0.000	ratio:1.35,dipole:2.50975,distance:3.91028,ads_E:-0.271632	-6.254
Cu₅₄N	-3.124	0.000	ratio:1.33,dipole:0.416,distance:3.855,ads_E:-0.042	-4.599
Cu₅₄O	-1.533	0.000	ratio:1.350,dipole:3.982,distance:4.588,ads_E:-0.321	-5.385
Cu₅₄F	-0.424	0.000	ratio:1.550,dipole:9.933,distance:7.465,ads_E:-0.801	-4.264
Cu₅₄Ar	-0.025	0.000	ratio:1.14,dipole:0.008,distance:5.445,ads_E:-0.009	0.020

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