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Pymatgen (Python Materials Genomics) is a robust, open-source Python library
for materials analysis. These are some of the main features:
* Highly flexible classes for the representation of Element, Site, Molecule,
Structure objects.
* Extensive input/output support, including support for VASP
(http://cms.mpi.univie.ac.at/vasp/), ABINIT (http://www.abinit.org/), CIF,
Gaussian, XYZ, and many other file formats.
* Powerful analysis tools, including generation of phase diagrams, Pourbaix
diagrams, diffusion analyses, reactions, etc.
* Electronic structure analyses, such as density of states and band structure.
* Integration with the Materials Project REST API, Crystallography Open
Database.
WWW: http://pymatgen.org/
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