Documentation¶

Mat3ra.com is an online platform for digital materials R&D. This documentation explains the main concepts and how to use the platform.

Browse by Section¶

Getting Started New to the platform? Start here for a quick onboarding walkthrough, key concepts, and useful links.

Tutorials Step-by-step tutorials for DFT, ML, materials construction, and simulation workflows.

User Interface Interface components, entity management, designer tools, and platform actions reference.

Command Line CLI environment, batch jobs, and remote connection methods.

Concepts & Reference In-depth explanations of models, methods, properties, software directory, and the science behind the platform.

Software Developers REST API reference, authentication, endpoints, and contribution guides.

Data Standards JSON schemas, ESSE data convention, and structured data representations.

Getting Started — content highlights, key concepts, terminology
Running First Simulations (Web) — new-user onboarding via the web interface
Running First Simulations (CLI) — new-user onboarding via the command line
Pricing — service levels and storage plans
FAQ — frequently asked questions
Supported Software — Quantum ESPRESSO, VASP, LAMMPS, CP2K, Python, and more
Properties Directory — band structure, band gaps, phonons, surface energy, and more
REST API — programmatic access to the platform
Community Programs — academic and research partnerships

See Help & Support for ways to get assistance.

Help improve the documentation

If something is missing or unclear, please open the Help & Support page and get in touch.