We’re very glad to hear that you’re interested in collaborating with us!
Please use the Crystal Toolkit to suggest (new) structures for calculation by MP. For details, see
As for improving/extending the data presented on our site, we are in the process of accepting data contributions by users - experimental and computational - without particular restrictions on format, content or purpose. Examples range from alternative calculations of band gaps, over diffusion properties based on a multitude of related VASP runs, to measurements of XAS/XMCD spectra. A framework to automate and facilitate user data contributions and its dissemination through MP is in place. It is currently undergoing testing with interested institutes providing various use cases. If this is also of interest to you, please feel free to send me an email at [email protected] with a brief description of the data that you’d like to improve on MP or contribute to MP. I’d be happy to follow-up with you and discuss more details.