Hi!
I read in a literature article that there are more than 200 known spinel structures in the Materials Project database, but I don’t know how to export this information. Close to 4k materials appear when I try to export using the code below.
Do you need to know how to save a python dictionary/list to a file (use the json or monty libraries), or are you asking how to include the pymatgen structure in the output (add structure to fields)?
Hi developers,
Thank you for the reply. Since I was reading in a machine learning paper that there are 204 chemical elements with known spinel structures in the database, I just want to find out where these spinel structures are located in the database.
The source is mentioned in section 2.1 of the following literature.
https://doi.org/10.1016/j.ensm.2021.07.042
Thanks for reporting.
Your query is correct¹ in terms of getting all the materials that match AB2X4. It might be that the authors used additional query parameters to reduce it to 204 materials. You’d have to reach out to them to find out.
¹ note that, mpr.summary is deprecated and is now mpr.materials.summary. Please update your mp-api version.
Thank you for your reply. I realized it was my mistake, I should have limited the crystal system to Cubic crystal system so I could retrieve the material I needed. And the updated version accidentally solved the glitch I was having with the retrieval yesterday, so thanks again for your suggestion.
