Phase diagram result. Materials project VS First principles claculation method.

when I generate phase diagram using Materials Project app or we run a program to make it, the result of Gibbs energy of formatting standard is different with Gibbs energy shown by first principle calculation method? what it can happen? Thanks

Hi @syamsulandry, sorry for such a late response. I am confused by your question – would you mind elaborating more on what “program” and data you are using to make your own phase diagram? Also perhaps you could attach some side-by-side images for the differences you are seeing. Note that the phase diagram app on Materials Project uses calculated data from first principles (with applied corrections), so you might find the answer to your question on this page where the methodology is discussed: