How many uniform band structures are available?

[anhhv]

Hi MP founders,

Do you know how many uniform electronic band structures are in MP? I found out that, the uniform band structure object does not always have crystal structure attribute. Is there something wrong with uploading data?

Many thanks,
Anh

[munrojm]

Hi @anhhv ,

I believe there are ~45k materials with uniform band structure calculations. Could you point us to some of the ones you are having trouble with?

Jason

[anhhv]

Hi Jason,

Thank you for your reply. You can found here another post of mine which shortly described my screening. I did not see file upload option in each post of this forum, thus could not upload all the mp-ids I failed to query as well as the set I succeeded.

Mine uniform electronic band structures from Materials Project

Hi MP users and founders, In this post, I will show how MP users can get uniform electronic band structures for a large number of materials. I also hope that the MP founders will pay attention to some problems and fix them. The data of band structure and other properties can be obtained through API using Materials Project ID from pymatgen.ext.matproj import MPRester mpr = MPRester(“key”) uni_bs = mpr.get_bandstructure_by_material_id(material_id=mp_id, line_mode=False) There are two approac…

Best,
Anh