Auto-generated description in next-gen materials project website

Materials Project
, ,
1

Hi,

I am wondering how the text description in the Materials Explorer App is generated? Is there a module in pymatgen that corresponds to this functionality?

I am looking through some Heusler compounds and it looks like the text description can automatically identify different types of Heusler compounds (Full/Half)? Is there also a corresponding pymatgen module?

Here are some examples for reference:
https://next-gen.materialsproject.org/materials/mp-1185304
https://next-gen.materialsproject.org/materials/mp-3161

Any help would be much appreciated!

Best
Peiwen

2

Check out Robocrystallographer

– Jason

1 Like
3

Thanks for the prompt response! Never knew this package existed before :smile:

1 Like
4

A related question – is it possible to query the roboscrytallographer descriptions through mp_api? For example, suppose I wanted to find all mp entries where the robocrystallographer description contained the word “perovskite”.

5

@blondegeek, you can use the robocrys text search method. You can access the description as an attribute on each document returned.

from mp_api.client import MPRester

with MPRester("your_api_key") as mpr:
    docs = mpr.robocrys.search(keywords=["perovskite"])
    # Do stuff with docs...

– Jason

1 Like