Hello I am doing research at my university and using MAPI in python, I am trying to get the ‘conventional standard’ cif file from the material to use in a simulation, the problem is that when I specify cif option in the url I always get back the computed I am not sure how to change the request to get the other one, can anyone help?
url used:
https://www.materialsproject.org/rest/v2/materials/Ni6W6C/vasp/cif?API_KEY=MY_KEY
Hi @zedanjouny,
If you’re using the Python API in pymatgen, it will be easier to just request the canonical Structure object and write this out in whatever format you want, e.g. using SpacegroupAnalyzer to convert to a conventional setting, and using Structure.to or CifWriter to output to CIF.
Best,
Matt