1. Convert the files

2. In the case of ZrZn22 there are only three representations and each of them consists of two one-shell clusters; the two last representations contain “empty” cluster with the center in Wyckoff position 8

3. Open the

that means that atoms Zn1 and Zr1 in the underlying nets correspond to 13-atom and 17-atom clusters, respectively. Then go to the

Open the

4. Close the

Check that for the second underlying net the two possible topologies are diamond (

5. The beginning of the

6. Turn to the database

Leave the centers of clusters only and press one time the

7. Pay attention that the number of the NaCd2 nanocluster representations is much larger (41), but there is only one with two clusters (the simplest one). Select this representation only and construct its underlying net, be sure that the topology of the net is also

Open

Draw both clusters in IsoCryst and look how the atoms of the second shell are allocated relative to the atoms of the inner polyhedron:

8. Select both records in the

Run IsoTest and close its window after finishing the calculation. Then right-click in the database window and specify

Open the

Close the

Order the list by

You see, for instance, that the clusters 1@12@50 allow four possible compositions for the third shell with 109, 113, 114 or 120 atoms, moreover, all of them occur in NaCd2 (you may press the

9. Using the

10. Open IsoCryst for the

Press the

Press the

(The nanocluster model can be presented as a combination of 1@16@44 and 1@12@50 nanoclusters with the Mg9 and Al14 centers, respectively. The topology of the net is

nanocluster (1@16@44) |
nanocluster (1@12@50) |