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  • Aluminium clusters

      The aluminium clusters are modelled by the glue potential devised by Ercolessi and Adams (Europhys. Lett. 26, 583 (1994)). The potential is available online from Ercolessi's web pages.

      Points files for each minimum are accessible from the tables.

      The work described on the above pages has been published in

      • J.P.K. Doye, J. Chem. Phys. in press (2003)
        A model metal potential exhibiting polytetrahedral clusters
      If you can improve on any of the results given in these pages email us, and I will update the database.

Aluminium Glue Clusters: Table of Global Minima


Global minima for clusters interacting with an Aluminium Glue potential up to N=190. For each minimum the energy and point group are given. The unit of energy is eV.

Click on a label to access the points file for the structure in Cartesian coordinates. The unit of distance is Angstrom.

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

N PG Energy   N PG Energy   N PG Energy   N PG Energy
3 D3h -4.099029   50 Cs -139.090832   97 C1 -282.115807   144 C2v -427.293974
4 Td -6.242292   51 C1 -142.098016   98 C1 -285.257294   145 C1 -430.398146
5 D3h -8.607257   52 C1 -145.091286   99 C1 -288.206364   146 C1 -433.528391
6 Oh -11.257920   53 Cs -148.261944   100 C1 -291.309715   147 Ih -436.702421
7 D5h -13.860178   54 C5v -151.376943   101 C1 -294.334721   148 Cs -439.807282
8 C2v -16.353276   55 Ih -154.612749   102 C1 -297.418136   149 C1 -442.741345
9 C2v -19.063671   56 C3v -157.245282   103 C1 -300.517946   150 Cs -445.909288
10 C3v -21.862051   57 S4 -160.381251   104 C1 -303.576439   151 C2v -449.086382
11 C2v -24.616176   58 Cs -163.479187   105 Cs -306.773455   152 Cs -452.190934
12 C5v -27.780117   59 C2v -166.601625   106 C1 -309.860784   153 C2v -455.278091
13 Ih -31.278787   60 C3v -169.702701   107 Cs -312.991830   154 Cs -458.319723
14 C3v -33.585594   61 Td -172.787060   108 Cs -315.964908   155 Cs -461.506096
15 C2v -36.321872   62 Cs -175.512306   109 C1 -319.100302   156 C3v -464.682681
16 Cs -39.039888   63 C1 -178.554122   110 C1 -322.261377   157 C1 -467.796799
17 C2 -41.750455   64 C2v -181.598713   111 C1 -325.367188   158 C2 -470.980712
18 Cs -44.777004   65 C1 -184.466611   112 C1 -328.390553   159 Cs -474.154929
19 D5h -48.182587   66 C1 -187.498248   113 C1 -331.327112   160 D3h -477.328706
20 C2v -50.823659   67 C1 -190.610516   114 Cs -334.422411   161 C1 -480.408455
21 C1 -53.470949   68 C1 -193.508419   115 C1 -337.598496   162 Cs -483.573938
22 Cs -56.404346   69 C3 -196.696161   116 Cs -340.759024   163 Cs -486.653798
23 D3h -59.732308   70 C2 -199.701093   117 C1 -343.817038   164 C2 -489.818114
24 C2v -62.350544   71 Cs -202.700030   118 C1 -346.764630   165 Cs -492.896801
25 Cs -65.195739   72 Cs -205.819266   119 C1 -349.862568   166 Cs -496.054542
26 Td -68.459809   73 Cs -208.794190   120 C2 -353.034842   167 C1 -499.123863
27 C2v -71.162534   74 Cs -211.818219   121 C1 -356.055763   168 C2 -502.260998
28 Cs -73.946989   75 Cs -215.088423   122 C2 -359.102294   169 C1 -505.328765
29 D3h -77.115629   76 D3h -218.367742   123 C1 -362.088084   170 Cs -508.459278
30 C2v -79.792682   77 C3v -221.514884   124 C1 -365.266998   171 Cs -511.527235
31 Cs -82.634873   78 D3h -224.595480   125 C1 -368.426994   172 D3h -514.656897
32 C2v -85.678623   79 Cs -227.336269   126 C1 -371.572700   173 C2 -517.723146
33 C5v -88.453125   80 Cs -230.318346   127 C1 -374.661505   174 C1 -520.801927
34 D5h -91.447319   81 Cs -233.343636   128 C1 -377.808061   175 C1 -523.966150
35 C2v -94.464663   82 C2 -236.308999   129 C3 -380.862378   176 C1 -527.044129
36 Cs -97.324952   83 C1 -239.278725   130 C1 -383.890586   177 C2 -530.208354
37 Cs -100.214276   84 Cs -242.456890   131 C1 -387.030763   178 C1 -533.271452
38 D6h -103.264168   85 C2v -245.646464   132 C2 -390.138328   179 C1 -536.411855
39 C6v -106.437242   86 Cs -248.606413   133 Cs -393.177026   180 C1 -539.475366
40 D6h -109.401628   87 C1 -251.592963   134 C2 -396.274720   181 Cs -542.615132
41 C2v -112.178113   88 Cs -254.736772   135 Cs -399.361340   182 C1 -545.590132
42 C1 -115.154425   89 Cs -257.685396   136 Cs -402.433300   183 C1 -548.728221
43 Cs -118.128134   90 Cs -260.675290   137 Cs -405.526322   184 C2 -551.764208
44 C2v -121.260703   91 D3 -263.877164   138 C2v -408.694151   185 C1 -554.927247
45 C1 -124.074147   92 C2 -266.936839   139 Cs -411.773939   186 C2 -558.089863
46 Cs -127.238882   93 C1 -270.089293   140 Cs -414.942360   187 C1 -561.167833
47 Cs -130.228220   94 C2v -273.244125   141 Cs -418.022390   188 C1 -564.330048
48 C3v -133.418980   95 Cs -276.204093   142 C2v -421.159084   189 C1 -567.390087
49 Cs -136.111570   96 C2 -279.154395   143 Cs -424.234289   190 C2 -570.537640

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