The new interface reactions apps looks awesome! Congrats on putting that out today.
Out of curiosity, will there be a way to implement this via PyMatGen? Currently, pymatgen.analysis.interface_reactions.InterfacialReactivity() looks like it’s close to the MaterialProject website app, with the exception of the phasediagram input. In the app, the phase diagram is generated automatically, whereas pymatgen’s InterfacialReactivity() requires a self-generated phase diagram as an input. It’d be very useful if pd=None defaulted to the algorithm used in the website app.
Or is there a quick function in pymatgen.analysis.phase_diagram that already generates the desired pd input for us…?