... 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 <[email protected]> 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 <[email protected]> a > écrit : > > ---------- Forwarded message ---------- > From: "Taiwo Oginni" <[email protected]> > Date: Sep 23, 2016 16:22 > Subject: Skutterudite > To: <[email protected]> > Cc: > > Pls can someone help me with atomic positions of skutterudite compound > especially CoSb3,thanks. > _______________________________________________ > Pw_forum mailing list > [email protected] > http://pwscf.org/mailman/listinfo/pw_forum > > > > - > 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@univ- > amu.fr > > > > > > _______________________________________________ > Pw_forum mailing list > [email protected] > http://pwscf.org/mailman/listinfo/pw_forum > -- 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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