Hello Forum Members,
I am currently engaged in the research of a high-temperature superconductor and I would like to utilize the MaterialsProject API to generate quarternary phase diagrams for my study. In particular, I’m interested in creating a marker within a specific phase region of the diagram and calculating the quarternary phase diagrams at finite temperatures using the GGA functional. I have been able to do this to some extent with the “Phase Diagram Tool” on the website.
However, I have found that the web tool lacks the ability to place a marker at a certain composition. Additionally, I would like to view the diagram’s progression with a temperature slider. My idea is to pre-calculate the diagrams and then make them interactive post-calculation. My aim is to try to program this functionality myself and I do have some basic programming knowledge.
My main questions are:
Are the calculations for the quaternary phase diagrams and the functional performed on the server or locally?
Is it possible to perform these calculations on my own machine?
I’ve tried searching the relevant code in the GitHub pages but I wasn’t able to locate it. I’m wondering if anyone could give me a starting point for this endeavor and what I should review to understand how the “Phase Diagram Tool” operates.
Any guidance would be greatly appreciated. Thank you in advance!