Table 2. Structural properties of the homotops Pd₇₀X₇₀ (X = Au, Ag, Cu, Zn) with the lowest energies E_ES and E_TOP. Average coordination numbers of X by X, N^X–X, X by Pd, ^a N^Pd–X, and Pd by Pd, N^Pd–Pd are given to facilitate comparison with experimental (e.g. EXAFS) data.

X		N Pd–X BOND	N X CORNER	N X EDGE	N X TERRACE	N X SUBSURFACE	N X CORE	N X–X	N Pd–X	N Pd–Pd
Au	ES	260	24	24	22	0	0	3.57	3.71	7.17
	TOP	262	24	24	22	0	0
Ag	ES	234	24	24	22	0	0	3.94	3.34	7.54
	TOP	262	24	24	22	0	0
Cu	ES	358	16	17	1	35	1	4.20	5.11	3.69
	TOP	382	12	14	8	34	2
Zn b	ES = TOP	422	16	14	16	20	4	2.57	6.03	3.54

^aFor NPs with 1 : 1 composition, the average coordination number of X by Pd equals the average coordination number of Pd by X.

^bThe same structure yields both the lowest E_ES and E_TOP for Pd₇₀Zn₇₀; in this structure equals to 136.