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I've been getting familiar with the pymatgen package and need to make phase diagrams. There's a quick tutorial on this web page that goes through how to make a ternary diagram, but I actually want to make a much simpler one of a pure substance.

I have in mind something like this. I've gone through the documentation and done a lot of google searches but haven;t been able to find what I'm looking for. Perhaps it's possible to combine the data from pymatgen with a graphing package like matplotlib?

Astrum
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T-P phase diagrams like those show phase stability against pressure and temperature as the independent variables. The data on the Materials Project was calculated using density functional theory (DFT) at a temperature of 0K and a pressure of 0Pa. Unfortunately it's not possible to create a T-P phase diagram from the MP data.

John Dagdelen
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