[Pw_forum] Skutterudite

Paolo Giannozzi p.giannozzi at gmail.com
Sat Sep 24 21:21:19 CEST 2016


... 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*
> Aix-Marseille Université - ST JEROME - Avenue Escadrille Normandie Niemen
> - 13013 Marseille
> Tél: +33(0)4 13 55 18 10 - Fax : +33(0)4 13 55 18 50
> Site : http://allos.up.univ-mrs.fr/pascal - Email : pascal.boulet at univ-
> 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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