[Pw_forum] Skutterudite

[Paolo Giannozzi]

... and here one of the examples is skutterudite:
https://wiki.fysik.dtu.dk/ase/ase/spacegroup/spacegroup.html
a=9.04, space_group 204,, wyckoff positions:
 8b
24g 0.335 0.158
Paolo

On Sat, Sep 24, 2016 at 11:01 AM, Pascal Boulet <pascal.boulet at univ-amu.fr>
wrote:

> Hello,
>
> Here is a paper reference from which you can get the crystal data.
>
> Pascal
>
>
>
> Le 24 sept. 2016 à 00:40, Taiwo Oginni <vrohianemos2011 at gmail.com> a
> écrit :
>
> ---------- Forwarded message ----------
> From: "Taiwo Oginni" <vrohianemos2011 at gmail.com>
> Date: Sep 23, 2016 16:22
> Subject: Skutterudite
> To: <pw_forum-request at pwscf.org>
> Cc:
>
> Pls can someone help me with atomic positions of skutterudite compound
> especially CoSb3,thanks.
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> -
> Pascal Boulet *- MCF HDR, Resp. L1 MPCI - DEPARTEMENT CHIMIE*
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> amu.fr
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-- 
Paolo Giannozzi, Dip. Scienze Matematiche Informatiche e Fisiche,
Univ. Udine, via delle Scienze 208, 33100 Udine, Italy
Phone +39-0432-558216, fax +39-0432-558222
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