Global minima for Sutton-Chen 12-6 clusters
with 
.
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
,
c, a, n and m.
Alternatively, click here to access a tar file containing all the points.
| N | Energy/ |
PG | N | Energy/ |
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 |
![[Back]](http://www-wales.ch.cam.ac.uk/images/back.gif)
Return to The Cambridge Cluster Database.