Importing CIF

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muirhead0101
Posts: 1
Joined: Tue Feb 11, 2025 4:37 am
Full Name: Sean Muir
Organization: Linfield University

Importing CIF

Post by muirhead0101 »

I keep getting "Error Importing File, Invalid File Format or Could Not Read File" when I try to import a CIF.

The CIF is for Fe. I downloaded it from the Materials Project website, it was the first hit. I attached it by changing the extension to .txt.

What am I missing here?

Thanks for any help!
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Fe.txt
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schmidt
Posts: 104
Joined: Sat May 30, 2020 3:00 pm
Full Name: JR Schmidt
Organization: WebMO, LLC

Re: Importing CIF

Post by schmidt »

I would have to look into this particular CIF file. Unfortunately the CIF format is extremely complex and hard to implement perfectly. I don't immediately see the issue with this CIF file. I recommend the American Minerologist repository as a source for CIF files:

https://rruff.geo.arizona.edu/AMS/amcsd.php

Their Fe structure CIF files (and others) are all well formatted and work perfectly.
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