Pymatgen Composition Example

gistfile1.py

from pymatgen.core.structure import Composition


ds = []
ds.append(dict(Mn=20, O=20))
ds.append(dict(Fe=3, O=4))
ds.append(dict(Li=2, Co=2, O=4))

for d in ds:
	c = Composition.from_dict(d)
	print c.formula
	print c.reduced_formula
	print c.to_dict
	print c.anonymized_formula
	print c.to_reduced_dict
	print c.num_atoms