Obtain Bandgap from Raw Data

Materials Project Materials Project Data/API
1

Hello，

Can you give an example of obtaining the bandgap from raw data ?

Thank you very much!

2

I’m not sure what you mean by “raw data”. We display band gaps for materials, and band gaps are accessible programmatically through our API as well.

3

I want to get the bandgap from my own calculation results using the Pymatgen package.

4

MP’s workflow code for going from calculation inputs, to results, to database insertions, all using pymatgen and pymatgen-db, is presented and documented as MPWorks. You can inspect the examples there, as well as looking specifically at the pymatgen-db package for assimilating directories of calculation results in a way that is then accessible to pymatgen.