• Sutton-Chen Clusters

The Sutton-Chen family of potentials can be used to model a variety of transition metal clusters. The 12-6 potential models silver and rhodium, the 9-6 potential nickel and copper, and the 10-8 potential gold and platinum. For these three potentials we have attempted to find the global minima of all clusters with up to 80 atoms have been found.

Points files for each minimum are accessible from the Tables.

The work described on the above pages can be found in the following paper:

• J.P.K. Doye and D.J. Wales, New J. Chem., 22, 733-744 (1998)
• 
  Global minima for transition metal clusters described by Sutton-Chen potentials
  

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If you can improve on any of the results given in these pages email us, and I will update the database.

Sutton-Chen 12-6 Clusters: Table of Global Minima

Global minima for Sutton-Chen 12-6 clusters with N<80. For each minimum the energy and point group are given and a structural assignment made if possible. The structural categories are: icosahedral with an anti-Mackay (aM) or a Mackay overlayer (M); decahedral with n atoms along the decahedral axis (dn); close-packed fcc (f), hcp (h), or involving a mixture of stacking sequences and twin planes (c); and clusters involving disclination lines (dis). Click on a label to access the points file for the structure in Cartesian coordinates. The unit of distance is the latttice constant, a. The first line contains the values of the parameters in the Sutton-Chen potential e, c, a, n and m.



Alternatively, click here to access a tar file containing all the points.

N	Energy/e	PG			N	Energy/e	PG
3	-1704.6905	D3h			42	-39301.6696	Cs	M
4	-2601.8447	Td			43	-40341.8543	Cs	M
5	-3461.3452	D3h			44	-41310.9157	C1	M
6	-4378.8875	Oh			45	-42345.0912	Cs	d4
7	-5271.2947	D5h			46	-43436.2827	C2v	M
8	-6129.7564	D2d			47	-44405.1884	C1	M
9	-7048.7552	C2v			48	-45470.1069	C2v	d4
10	-7972.0971	C3v			49	-46521.2131	C3v	M
11	-8889.9627	C2v			50	-47518.6719	D3h	c
12	-9871.2458	C5v			51	-48522.4267	C2v	M
13	-10968.5082	Ih	M		52	-49616.1377	C3v	M
14	-11798.8479	C3v	aM		53	-50706.4665	C2v	M
15	-12742.9841	C2v	aM		54	-51796.0777	C5v	M
16	-13672.6475	Cs	aM		55	-52884.6806	Ih	M
17	-14606.3231	C2	aM		56	-53756.6516	C3v	M
18	-15535.3810	Cs	aM		57	-54700.1733	Cs	aM
19	-16595.0561	D5h	aM		58	-55753.8515	C3v	aM
20	-17510.9209	C2v	aM		59	-56751.4572	Td	c
21	-18433.0300	C1	aM		60	-57763.6760	Cs	aM
22	-19422.7209	Cs			61	-58809.0448	C2v	aM
23	-20383.3977	D3h			62	-59765.2180	C2v	aM
24	-21315.4208	C2v	h		63	-60822.3826	Cs	d5
25	-22339.6319	C3v	d3		64	-61925.6244	C2v	d5
26	-23337.2211	D3h	h		65	-62903.7387	C2v	d5
27	-24284.3891	Cs	h		66	-63959.3105	Cs	d5
28	-25276.9501	C3v	M		67	-65011.2767	C2v	d5
29	-26263.2779	C2v	d4		68	-65980.5983	C3v	c
30	-27253.8536	C2v	d3		69	-67020.4042	C1	d5
31	-28274.4371	C2v	d4		70	-68114.9462	Cs	d5
32	-29265.3320	C2v	M		71	-69216.6518	C2v	d5
33	-30274.9603	C2v	d4		72	-70171.4663	C1	d5
34	-31231.7697	C2v	c		73	-71225.8547	C2v	d5
35	-32280.3945	C2v	d4		74	-72318.7243	C5v	d5
36	-33253.9352	Cs	M		75	-73421.0521	D5h	d5
37	-34302.6067	C3v	c		76	-74375.6975	Cs	d5
38	-35419.9804	Oh	f		77	-75430.9852	C2v	d5
39	-36364.8587	C4v	f		78	-76385.4318	C1	d5
40	-37324.3708	Cs	M		79	-77456.0255	D3h	c
41	-38316.5698	Cs	c		80	-78414.6271	Cs	c

Alternatively, click here to access a tar file containing all the points.

Sutton-Chen 10-8 Clusters: Table of Global Minima

Alternatively, click here to access a tar file containing all the points.