# creates: ktao-2d.png, ktao-3d.png import matplotlib.pyplot as plt from ase.phasediagram import PhaseDiagram references = [ ('K', 0), ('Ta', 0), ('O2', 0), ('K3TaO8', -16.167), ('KO2', -2.288), ('KO3', -2.239), ('Ta2O5', -19.801), ('TaO3', -8.556), ('TaO', -1.967), ('K2O', -3.076), ('K2O2', -4.257), ('KTaO3', -13.439), ] pd = PhaseDiagram(references) for d in [2, 3]: pd.plot(dims=d, show=False) plt.savefig(f'ktao-{d}d.png')