CIF file

Total energy, geometry optimization, DFT+U, spin....

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DAHAME
Posts: 9
Joined: Sat May 09, 2015 12:52 pm

CIF file

Post by DAHAME » Thu Feb 02, 2017 8:34 am

Dear friends good day, can any one help me by sending the CIF file of Cs2CuP3S9
cordially
Dahame

ebousquet
Posts: 469
Joined: Tue Apr 19, 2011 11:13 am
Location: University of Liege, Belgium

Re: CIF file

Post by ebousquet » Thu Feb 09, 2017 10:22 am

Dear Dahame,
You might find your CIF file on the Materials project website (?)
https://materialsproject.org/
Best wishes,
Eric

DAHAME
Posts: 9
Joined: Sat May 09, 2015 12:52 pm

Re: CIF file

Post by DAHAME » Tue Feb 14, 2017 4:56 pm

Thank you dear Eric, unfortunately I did not find the cif file of the compound Cs2CuP3S9, I wish that if you fell on it, you send it to me.
thank you.
DAHAME

ebousquet
Posts: 469
Joined: Tue Apr 19, 2011 11:13 am
Location: University of Liege, Belgium

Re: CIF file

Post by ebousquet » Thu Feb 22, 2018 8:53 pm

Dear Dahame,
I'm sorry, I don't have the cif file for your crystal. Don't you have positions from an experimental paper?
Best wishes,
Eric

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