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shyuep / mp_phase_diagram.py
Created September 1, 2012 11:23
Phase stability using the Materials API + pymatgen.
#!/usr/bin/env python
from pymatgen.matproj.rest import MPRester
from pymatgen.phasediagram.pdmaker import PhaseDiagram
from pymatgen.phasediagram.plotter import PDPlotter
#This initializes the REST adaptor. Put your own API key in.
a = MPRester("YOUR_API_KEY")
#Entries are the basic unit for thermodynamic and other analyses in pymatgen.