[Wien] DyFe3

sherif Yehia sherifyehia2017 at gmail.com
Thu Mar 28 22:24:11 CET 2019


Dear  Users and experts

   I am interested in calculating magnetic properties for DyFe3 found two
sources for the DyFe3.cif

  1- got DyFe3.cif file from


http://07110yoph.1104.y.https.materials.springer.com.mplbci.ekb.eg/isp/crystallographic/docs/sd_0251244
(Attached)

    I used cif2sruct to  get the strucutre file      DyFe3.struct

   2- another .cif file from

    DyFe3_mp-1101819_symmetrized.cif

   https://materialsproject.org/materials/mp-1101819/#  (Attached )

    I used cif2sruct to  get the strucutre file

    DyFe3_mp-1101819_symmetrized.struct

  My  question is  why they are not the same
   I hope you can point my mistake

   Thank you all for the help
-------------- next part --------------
An HTML attachment was scrubbed...
URL: <http://zeus.theochem.tuwien.ac.at/pipermail/wien/attachments/20190328/31124c67/attachment.html>
-------------- next part --------------
A non-text attachment was scrubbed...
Name: DyFe3_mp-1101819_symmetrized.cif
Type: application/vnd.multiad.creator.cif
Size: 1834 bytes
Desc: not available
URL: <http://zeus.theochem.tuwien.ac.at/pipermail/wien/attachments/20190328/31124c67/attachment.bin>
-------------- next part --------------
A non-text attachment was scrubbed...
Name: DyFe3.cif
Type: application/vnd.multiad.creator.cif
Size: 958 bytes
Desc: not available
URL: <http://zeus.theochem.tuwien.ac.at/pipermail/wien/attachments/20190328/31124c67/attachment-0001.bin>
-------------- next part --------------
A non-text attachment was scrubbed...
Name: DyFe3_mp-1101819_symmetrized.struct
Type: application/octet-stream
Size: 3299 bytes
Desc: not available
URL: <http://zeus.theochem.tuwien.ac.at/pipermail/wien/attachments/20190328/31124c67/attachment.obj>
-------------- next part --------------
A non-text attachment was scrubbed...
Name: DyFe3.struct
Type: application/octet-stream
Size: 2123 bytes
Desc: not available
URL: <http://zeus.theochem.tuwien.ac.at/pipermail/wien/attachments/20190328/31124c67/attachment-0001.obj>


More information about the Wien mailing list