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%matplotlib inline
import numpy as np

from pymatgen.matproj.rest import MPRester
from pymatgen.core.composition import Composition
from pymatgen.entries.computed_entries import ComputedEntry
from pymatgen.phasediagram.pdmaker import PhaseDiagram
from pymatgen.phasediagram.plotter import PDPlotter


    

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a = MPRester("dwvz2XCFUEI9fJiR")


    

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entries = a.get_entries_in_chemsys(['Sn', 'O'])
#exp_entries = a.get_exp_entry("SnO")
#print exp_entries


    

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pd = PhaseDiagram(entries)
print [entry.name for entry in pd.stable_entries]
plotter = PDPlotter(pd)
plotter.show()


    

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#entries_corr = list()
energy_corr_2d = 0.1 #eV per SnO, 100 meV/atom, paper #87

for entry in entries:
    red_comp, factor = entry.composition.get_reduced_composition_and_factor()
    if red_comp == Composition("SnO"):
        entry.correction += energy_corr_2d
#    entries_corr.append(ComputedEntry(entry.composition, entry.uncorrected_energy, correction=entry.correction,
#                      parameters=entry.parameters, data=entry.data, entry_id=entry.entry_id, attribute=entry.attribute))


    

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pd = PhaseDiagram(entries)
print [entry.name for entry in pd.stable_entries]
plotter = PDPlotter(pd)
#plotter.write_image('SnO')
plotter.show()


    

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