Code base for stability screening work between the Walsh and Buonassisi group using the Materials Project Database.
Primary Author: Nicholas M Twyman.

• DataGenerator.py - Script to download the specified columns of the Materials Project database and store locally as MPDatabase.pckl using the pickle package.

• Analyser.py - Stability descriptor generating script. Results are stored in a pandas dataframe and saved to a .pckl file.

• databaseInfo.py - Script used to analyse MPDatabase.pckl generated by DataGenerator.py.

• resultsAnalyser.py - Script to generate figures based on resuts of Analyser.py.

• tests.py - Script used to analyse output of Analyser.py.

• Old_Files - Directory containing earlier implementations of the descriptor generator.

Dependencies of DataGenerator.py:

import pickle
from pymatgen import MPRester

Dependencies of Analyser.py:

import pickle
import multiprocessing as mp
import tqdm
import pandas as pd
import numpy as np