Good afternoon! Maybe someone came across, I want to know the average interatomic distance between all identical elements in some supercell. In Vesta or a similar program, it shows only one piece at a time. Maybe someone knows in what program it is worth cranking? There probably is, but I couldn't find it on the forum. If it isn't possible in simple way, I want get all lengths.

  • $\begingroup$ Also I tried with Avogadro, but it only gave a list of interatomic distances without a possibility to calculate the average value. $\endgroup$
    – Ryba4ok
    Jul 26 at 9:24
  • $\begingroup$ I'm not sure I understand the question, but probably you might want to look at Olex2 and its envi command in combination with sel $<atom_label>. Note that Chemistry.SE and Stack Exchange sites in general are not forums. $\endgroup$
    – andselisk
    Jul 26 at 9:43
  • $\begingroup$ I also suspect in Avogadro 1, that the distances don't consider unit cell boundaries. If you submit it as a feature request to the Avogadro forum it should be fairly easy to add, although that might not help in the immediate moment. $\endgroup$ Jul 26 at 18:22


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