The materials project has experimental and theoretical structures. On the experimental side, how does it compare to ICSD? How up to date is it in comparison? I love the API for the materials project!
We're working on a new API internally too (based on FastAPI) that will hopefully bring better documentation along with it, so stay tuned for improvements.
> On the experimental side, how does it compare to ICSD?
We have pretty good coverage of ICSD and other experimental databases, and we continue to process and calculate new materials as they're discovered. We also calculate ordered approximations of disordered structures too, but this is an area where we could improve.
We also provide a capability where users can upload crystal structures we don't have and we calculate those too (with credit going to the original uploader).
Ah, so happy it's useful to you!
We're working on a new API internally too (based on FastAPI) that will hopefully bring better documentation along with it, so stay tuned for improvements.
> On the experimental side, how does it compare to ICSD?
We have pretty good coverage of ICSD and other experimental databases, and we continue to process and calculate new materials as they're discovered. We also calculate ordered approximations of disordered structures too, but this is an area where we could improve.
We also provide a capability where users can upload crystal structures we don't have and we calculate those too (with credit going to the original uploader).