Inquiry Regarding Discrepancy in Phase Diagram Data from API and Web Interface

[tsmathis]

Hi @hyqwithwjt99800, see my response here in your original post:

How do phase diagram results be derived?

Hi @hyqwithwjt99800, A slight modification to your approach should get you close to where you want to be to match the phase diagram app on MP. from mp_api.client import MPRester from pymatgen.analysis.phase_diagram import PhaseDiagram, PDPlotter from pymatgen.entries.computed_entries import ComputedEntry # new import from pymatgen.entries.computed_entries import GibbsComputedStructureEntry api_key = “api-key” chemsys = [“Li”, “Fe”, “O”] temperature = 1200 with MPRester(api_key) as mpr: …