computron
/ gcpd_example.py
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February 27, 2022 09:47
Create, plot, and analyze OPEN (grand canonical) Phase Diagrams using the pymatgen codebase and Materials Project database
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| """ | |
| This is a basic example of how to create, plot, and analyze OPEN Phase Diagrams using the pymatgen | |
| codebase and Materials Project database. To run this example, you should: | |
| * have pymatgen (www.pymatgen.org) installed along with matplotlib | |
| * obtain a Materials Project API key (https://www.materialsproject.org/open) | |
| * paste that API key in the MAPI_KEY variable below, e.g. MAPI_KEY = "foobar1234" | |
| For citation, see https://www.materialsproject.org/citing | |
| For the accompanying comic book, see http://www.hackingmaterials.com/pdcomic | |
| """ | |
| from __future__ import print_function |