Integration with Materials Project

The Materials API

Installing pymatgen

conda install --channel matsci pymatgen

conda install --channel matsci bader

conda install --channel matsci enumlib

Setting up the API key

Log into Materials Project, go the "Dashboard" and "Generate an API" Key

In Linux/OSX system, the MAPI_KEY must be exported

export MAPI_KEY=o8p72LBQT39ikWfb

On Windows systems, we can set variables using the set command temporarily, and setx for persistence.

setx MAPI_KEY "o8p72LBQT39ikWfb"

References:

1. The Materials Project. "The Materials API" Link

Connects through the REST protocol. The RESTful HTTP API can be to provide programmatic access to data and resources to developers from the web.

Understanding REST

Understanding JSON

Access to data as well defined objects allows users to develop their own custom applications and code.

export MAPI_KEY=o8p72LBQT39ikWfb

from pymatgen import MPRester