Table

Table

Putative global minima of (C₆₀)_N for N no more than 150 with the Girifalco potential. The references in which each minimum was first reported is given. The unit of energy is the pair well depth.

Click on a label to obtain the Cartesian coordinates of a minimum (xyz format, unit of distance is sigma*1.2)
Or click here for a tar file of all the points.

I --- icosahedron; D --- decahedron; F --- face-centered cubic; T --- tetrahedron; cp --- close packed; m (I, D, F, T) means the size of the basic tetrahedron; "+" means a small anti layer. See Ref. [3] for more details.

A link to the Cambridge Cluster Database for N <= 80.

`N`	Motif	Energy/ε	Ref.	`N`	Motif	Energy/ε	Ref.
13a	2I	-38.19422	1	81	cp	-363.39167	3
13b	3D	-37.82724		82	5D	-367.95573	3
13c	cp	-37.18261		83	cp	-372.93606	3
13d	5F	-37.17560		84	cp	-377.46702	3
14	3D	-41.96327	1	85	cp	-382.74932	3
15	3D	-46.12082	1	86	cp	-388.96742	3
16	3D	-50.27908	1	87	cp	-393.45342	3
17	3D	-54.43807	1	88	cp	-398.51391	3
18	3D	-58.61860	1	89	7T	-403.19843	3
19	3D	-62.69319	1	90	7T	-408.48626	3
20	3D	-66.76531	1	91	6T	-414.78707	3
21	3D	-70.94720	1	92	6T	-419.02258	3
22	3D+	-75.10984	1	93	cp	-424.29729	3
23	3D+	-79.94459	1	94	cp	-429.58114	3
24	cp	-84.15632	1	95	6D	-435.25097	3
25	3D+	-88.65488	1	96	6D	-439.64423	3
26	cp	-93.64506	1	97	6D	-445.12137	3
27	cp	-97.79501	1	98	6T	-450.80553	3
28	3D+	-102.00457	1	99	6D	-456.48250	3
29	4D	-106.76009	1	100	6T	-462.47150	3
30	4D	-111.01253	2	101	6D	-468.14156	3
31	4D	-116.18632	1	102	6D	-472.53236	3
32	4D	-120.40840	1	103	6D	-477.78639	3
33	4D	-125.64079	1	104	6D	-483.04604	3
34	4D	-129.85597	1	105	6D	-487.43349	3
35	4D	-135.08309	1	106	6D	-492.68505	3
36	4D	-139.28793	1	107	6D	-497.94228	3
37	4D	-144.50652	1	108	6D	-504.11629	3
38	7F	-150.57142	1	109	6D	-508.52965	3
39	7F	-154.73966	1	110	6D	-513.79794	3
40	7F	-158.90827	1	111	6D	-519.07223	3
41	7F+	-163.30689	1	112	6D	-525.25152	3
42	7F+	-167.54706	1	113	6D	-530.65554	3
43	cp	-172.72057	1	114	6D	-535.03806	3
44	cp	-176.98163	1	115	6D	-540.28593	3
45	cp	-182.23770	1	116	7T	-546.18650	3
46	cp	-186.57956	1	117	6D	-551.78912	3
47	cp	-191.67458	1	118	6D	-556.19588	3
48	4D+	-197.42965	1	119	6D	-561.45971	3
49	4D+	-201.67320	1	120	cp	-567.18749	3
50	cp	-207.66680	1	121	6D	-572.92263	3
51	cp	-211.93865	1	122	6D	-578.30520	3
52	cp	-217.20635	1	123	6D	-582.67900	3
53	cp	-221.47836	1	124	11F+	-588.26419	3
54	5D	-226.78155	1	125	7T	-593.87840	3
55	5D	-231.07316	1	126	6D	-599.43738	3
56	5D	-236.31745	1	127	6D	-603.83666	3
57	5D	-241.56727	1	128	11F+	-609.36823	3
58	4T	-246.29744	1	129	6D	-614.36181	3
59	5T	-252.34541	1	130	6D	-620.56945	3
60	5T	-256.54382	1	131	6D	-625.93052	3
61	8F	-261.61957	1	132	11F	-630.46268	3
62	5T	-265.93257	2	133	6D	-635.52924	3
63	5D	-271.27774	1	134	7T	-641.57421	3
64	5D	-277.44388	1	135	6D	-647.06070	3
65	5D	-281.76524	1	136	11F	-651.56821	3
66	5D	-286.97355	1	137	cp	-657.04688	3
67	5D	-292.19006	1	138	cp	-661.97084	3
68	8F+	-296.74668	1	139	6D	-668.19136	3
69	5D	-301.72964	1	140	6D	-673.52303	3
70	5D	-307.08892	1	141	cp	-678.35133	3
71	5D	-313.26322	1	142	6D	-683.76697	3
72	5D	-317.52213	1	143	cp	-689.99901	3
73	5D	-322.78073	1	144	6D	-694.71108	3
74	5D	-328.21873	1	145	6D	-700.01089	3
75	5D	-334.39505	1	146	6D	-706.32072	3
76	5D	-338.63307	1	147	cp	-711.09825	3
77	5D	-343.87696	1	148	6D	-715.81139	3
78	5D	-348.11241	1	149	cp	-721.28425	3
79	cp	-353.84742	1	150	7D	-726.31754	3
80	cp	-358.12173	1

References:

[1] J.P.K. Doye, D. J. Wales, The structures of (C₆₀)_N clusters. Chem. Phys. Lett., 262, 167-174 (1996).

[2] W.S. Cai, Y. Feng, X.G. Shao, Z.X. Pan, Global optimization of (C₆₀)_N molecular clusters. Chem. Phys. Lett. 359, 27-34 (2002).

[3] L.J. Cheng, W.S. Cai, X.G. Shao, Geometry optimization and Conformational analysis of (C60)N clusters using a dynamic lattice searching method. ChemPhysChem 6, 261-266 (2005).