Coding

Shyue Ping Ong shyuep

Coding

Professor working at the intersection of Materials Science, Data Science and Artificial Intelligence

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.