I didn't find the VO2 with space group P21/c

Hello, I’m currently working on phase change materail VO2, I’m graduate student. I’m looking for the cif file for the VO2 of space group P21/C. Can you please help me for this cause.

Thank you so much for your help.

1 Like

It looks like that polymorph of VO2 is not currently in our database. However, you can use our Crystal Toolkit app to edit an existing structure, perhaps one with that space group but with an element substitution, and suggest that structure to us for calculation. Try it. :slight_smile:

Our MPComplete service, which runs these calculations, is running at limited capacity for a couple weeks due to an infrastructure migration, but in general the Crystal Toolkit is a great way for you to formally suggest structures, including by loading CIFs you find elsewhere such as at the Crystallography Open Database but that you want relaxed and with our full suite of calculations run on them.

1 Like