Introduction to The Materials Project 📂Data Set

Introduction to The Materials Project

Introduction

Materials Project is an international collaborative research project involving research institutions worldwide that aims to computationally predict and compile the properties of all inorganic materials, and to provide that data and analysis algorithms free of charge to all materials-science researchers.¹ In other words, it can be regarded as an open-source database and a suite of analysis tools for materials-science research.

Requirements

There are no requirements to search for a material on the website and to view a material’s properties.

(before logging in)

However, to view responsive images, to download files such as cif, POSCAR, or json, or to use the API, you must register and log in.

(after logging in)

Data example

As shown in the images above, the website allows downloading structure files in various chemical file formats. It also provides a Python-based API; once you register and obtain an API key, you can use it freely.