Welcome to the MatD³ documentation!

The MatD³ database is designed to store and curate materials data for solid materials. It is supported by two NSF-DMREF-funded projects (initially DMR-1729297, then DMR-2323803). This document provides details on the database structure, how to set up a web interface for interacting with the database, and some details on the usage of the website. At the time of this update (September 2025), there are at least two live instances of the database software:

https://materials.hybrid3.duke.edu/ (for hybrid organic-inorganic semiconductors)

https://muchas-db.egr.duke.edu/ (for multinary chalcogenide semiconductors)

We also explain how to interface the MatD³ website with the Qresp web application.

An overview of the database software is found in the following reference:

• R. Laasner, X. Du, A. Tanikanti, C. Clayton, M. Govoni, G. Galli, M. Ropo, and V. Blum, Journal of Open Source Software, 5, 1945 (2020)

Contents

• Database structure
• Access
• Setup
• Some troubleshooting notes
• Development notes
  • Git
• Interacting with the website
  • Adding new users
  • Data verification
  • Editing data
  • REST API
• Coding rules
  • Python
  • HTML and Javascript
  • Python imports
  • Django template tags
• Other notes
• Interaction with the Qresp database
  • Setting up a Qresp instance
  • Migrating data
• Example server setup
• Beginners Tutorials