Adding basic material properties

[ancarnevali]

Hey!
Have you thought of pairing each entry with some basic info about the materials?

One could definitely retrieve them on their own by searching via calc_id, but maybe adding some relevant results for each calculation would make this a cool, ready-to-use, training ds for ML!

Some of these additional info, targets if you prefer, may be formation energies (one for each calculation, and maybe an average value for each unique formula?) and some qualitative labels like point groups and Wyckoff positions.

Suggesting this as something pretty cost-effective to improve the quality of the ds'!