How to remove warning bandgap data

pymatgen
1

Hi,

I collected bandgap data by this query.
elements = [“Li”, “B”, “O” … ]
results = m.query(criteria={“elements”: {"$in": elements}}, properties=[“band_gap”])

I know some data have warning label, like this " warning! gap value is approximate and using a loose k-point mesh"(https://materialsproject.org/materials/mp-1098011/). But, the collected data includes this warning materials.

A simple idea to check warning or not is input whole collected data into get_bandstructure_by_material_id() one by one, but I think this is heavy process for Materials Project
server.

How to remove warning materials in other way?

Thanks,

2

Hi @motonuko

This is indeed heavy on MP. A simple way would be to use the blessed_tasks sub-document. You’ll notice one dark-colored task bubble at the bottom of the page.
Screen Shot 2020-01-21 at 8.01.02 AM
This task is “blessed” which means we used some of the data from it to make the material document. You can search for tasks that have a NSCF calculation in blessed_tasks.

We will definitely implement a filter for this though. Thank you for the suggestion.

3

Hi @shyamd

I got it, thanks for your reply!