[Wien] What are the magnetic structures of the pyrite structure

ABDERRAHMANE REGGAD jazairdz at gmail.com
Thu Apr 14 15:27:49 CEST 2016


Dear wien2k users

I am working on the the calculation of the antiferromagnetic state of the
materials of pyrite structure .

I need the magnetic structures of types I and II of this crystal structure

The pyrite structure has the chemical formula of FeS2 and has the space
group of Pa_3 ( number:205) and atomic positions Fe (0,0,0) nand S
(0.384,0.384,0.384)


-- 
Mr: A.Reggad
Laboratoire de Génie Physique
Université Ibn Khaldoun - Tiaret
Algerie
-------------- next part --------------
An HTML attachment was scrubbed...
URL: <http://zeus.theochem.tuwien.ac.at/pipermail/wien/attachments/20160414/90ab12a1/attachment.html>


More information about the Wien mailing list