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:
Any help would be much appreciated!
Thanks for the prompt response! Never knew this package existed before
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”.
@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...