MaterialsAtlas.org: A Materials Informatics Web App Platform for Materials Discovery and Survey of State-of-the-Art

TL;DR

MaterialsAtlas.org is a user-friendly web platform that consolidates tools for materials discovery, enabling easier screening, property prediction, and exploration of new materials to accelerate research and development.

Contribution

The paper introduces MaterialsAtlas.org, a comprehensive web app platform that integrates various materials informatics tools for discovery and analysis, filling a gap in accessible online resources.

Findings

Provides a suite of tools for materials property prediction

Enables screening of hypothetical materials

Facilitates materials structure and composition checks

Abstract

The availability and easy access of large scale experimental and computational materials data have enabled the emergence of accelerated development of algorithms and models for materials property prediction, structure prediction, and generative design of materials. However, lack of user-friendly materials informatics web servers has severely constrained the wide adoption of such tools in the daily practice of materials screening, tinkering, and design space exploration by materials scientists. Herein we first survey current materials informatics web apps and then propose and develop MaterialsAtlas.org, a web based materials informatics toolbox for materials discovery, which includes a variety of routinely needed tools for exploratory materials discovery, including materials composition and structure check (e.g. for neutrality, electronegativity balance, dynamic stability, Pauling rules), materials property prediction (e.g. band gap, elastic moduli, hardness, thermal conductivity), and search for hypothetical materials. These user-friendly tools can be freely accessed at \url{www.materialsatlas.org}. We argue that such materials informatics apps should be widely developed by the community to speed up the materials discovery processes.