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Re:The Materials Project by pg_bot on Tuesday July 05, 2022 @03:33AM (#31985409)
Is there any way to request adding a new theoretical material? There are a couple of scandium based compounds that could theoretically exist that I think would be interesting to reason about.
Re:The Materials Project by mkhorton on Tuesday July 05, 2022 @11:29AM (#31989371)
Absolutely, yes. Materials Project runs a service called "MPComplete" where people can submit structures to "help complete the database." There's an API, or we're working on a new drag-and-drop interface on the website to quickly upload a CIF or similar.

By all means email me at [email protected] if you're interested and I can sort it out.