Hello community,
I am new to Materials Project. I could not find the cif file of Bi0.4La0.6O1.5. Could anyone share the cif file or let me know how to get it? Your help will be highly appreciated.
Best regards,
Md sariful Sheikh
Hi @msheikh3, please see this answer about generating ordered representations of disordered structures.
If you just want a CIF representing the disordered structure, you can use pymatgen to generate the CIF. Just note that your proposed composition is not physical - the partial site occupancies do not sum to an integer value. You’d also need to know which polymorph of the underlying ordered crystal matrix you want to represent.
1 Like