I was trying to get the Competing Phases of the particular compound from the oqmd. as I have nearly 50,000 compounds its not possible for me to get the information to manually get that is their any programmatically way to get it. I checked the api and I could find any
for example Al2O3 I want the competing Phases: Al2O + Al5O8 information extracted
For your example you could use a querry like:
https://oqmd.org/optimade/structures?filter=elements HAS ALL "Al ", "O " AND nelements = 2
Which will return all the structures that have both Oxygen and Aluminium and no other elements.
@JPBergsma but it doesn’t directly retrieve information about competing phases? I just want the those phases information for a target compound.
This is obviously very OQMD-specific, you would have to ask them to expose this information through their OPTIMADE API. You might have more luck using the OQMD-specific API and associated Python package (OQMD RESTful API — qmpy v1.2.0 documentation).
Otherwise, as @JPBergsma suggests, you could pull the relevant section of chemical space and compute the convex hull of formation energies to find those that lie on the hull, and the enclosing nodes (the decomposition routes) for phases off the hull.
