Querying electrical conductivity / resistivity from MP

Materials Project
1

Hello everyone,

I was trying to obtain some good electrical conductivity / resistivity data for a variety of materials i order to build predictive machine learning models, but I’m still a bit confused on how to query such properties.

Having installed pymatgen what I’m doing is

from pymatgen.ext.matproj import MPRester

from pymatgen.ext.matproj import MPRestError

m = MPRester("**************")

data = m.query(criteria= ?, properties= ? )

What should I put under criteria and properties? (I mean the correct property name for electrical cond /resistivity quantities. Also I’m pretty interested in Oxydes, so should I specify it on the ‘criteria’ part? (If yes, how?)

Thank you!

1 Like
2

Welcome @Federico_Ottomano,

Materials Project doesn’t actually calculate transport properties like electrical conductivity directly so you can’t access them via the MPRester (though you can get densities of states and band structures). However, we do have a very nice contributed dataset available via MPContribs here: MPContribs

There’s an example notebook for how to retrieve this data via the MPContribs API here: MPContribs

Tagging @tschaume, MPContribs lead, in case there are further questions.

Hope this helps!

Matt