Materials Project Documentation

Return to materialsproject.org

Introduction
Frequently Asked Questions (FAQ)
- Glossary of Terms
Changes and Updates
- Database Versions
- Website Changelog
Documentation Credit
Community
Services
- MPContribs
Methodology
Apps
Downloading Data
Uploading Data
- Contribute Data
Data Production
- Data Workflows
- Data Builders

Powered by GitBook

On this page

Was this helpful?

Methodology

Materials Methodology

Overview of methodology for materials-related calculations and analyses on the Materials Project (MP).

PreviousMPContribs NextOverview

Last updated 2 years ago

Was this helpful?

Calculation Details

Thermodynamic Stability

Electronic Structure

Phonon Dispersion

Diffraction Patterns

Aqueous Stability (Pourbaix)

Magnetic Properties

Elastic Constants

Piezoelectric Constants

Dielectric Constants

Equations of State (EOS)

X-ray Absorption Spectra (XAS)

Surface Energies

Grain Boundaries

Suggested Substrates

Related Materials

Optical absorption spectra