[Wien] ZnIn2Te4 structure confusion

[Masood Yousaf]

Thank you once again sir for your guidance. We will be fallowing your advice as we want to inspect a single trend.


Best wishes
Masood




On Wednesday, November 13, 2013 5:46 PM, Stefaan Cottenier <Stefaan.Cottenier at UGent.be> wrote:
 

> Sir, Thank you for your response. we actually want to replace the anion
> in ZnIn2X4 by X=S,Te, Se, O to see an effect. For compounds ZnIn2O4,
> ZnIn2S4 we are certain that they have spinel structure with space group
> no. 227. So we want to execute ZnIn2Te4 in the same spinel structure to
> verify an effect. Is it fine ? As we just want to explore the nature of
> same Effect ? Is it necessary that the modelled compound should be
> stable in terms of energy ?

It really depends on the question you are asking yourself. If your goal 
is indeed to inspect a trend upon substituting a site in a crystal 
structure by a series of atoms, then there is no need for the crystal 
structure to be stable for that stoichiometry.


Stefaan


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