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How to save the structure of materials into .cif file? #126

@kdmsit

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@kdmsit

I am working on a project of materials property predictions using GNN models and I need the OQMD data in .cif file format. I am able to fetch the data from the database using QMPYRester(), but I don't know how to save them to .cif file. Could you please let me know if there is an API to do so?

Actually I am very new to this domain and being a computer scientist, struggling a bit. So your help will be really helpful.

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