# Materials Project Documentation

## MP Public Docs

- [Introduction](https://docs.materialsproject.org/readme.md): Welcome to the Materials Project.
- [Frequently Asked Questions (FAQ)](https://docs.materialsproject.org/frequently-asked-questions.md)
- [Glossary of Terms](https://docs.materialsproject.org/frequently-asked-questions/glossary-of-terms.md): Terms used by the Materials Project (MP), ordered alphabetically. Some terms are scientific terms while other terms refer to tools used in MP infrastructure.
- [Changes and Updates](https://docs.materialsproject.org/changes.md): A changelog of Materials Project (MP) updates to the website, documentation, database, and API.
- [Database Versions](https://docs.materialsproject.org/changes/database-versions.md): A changelog of Materials Project (MP) database releases.
- [Website Changelog](https://docs.materialsproject.org/changes/website-changelog.md)
- [Documentation Credit](https://docs.materialsproject.org/documentation-credit.md): Acknowledgements for the individuals who helped write the Materials Project documentation.
- [Getting Help](https://docs.materialsproject.org/community/getting-help.md): Resources for getting assistance with your MP questions and needs.
- [Getting Involved](https://docs.materialsproject.org/community/getting-involved.md): How to contribute to the Materials Project.
- [Contributor Guide](https://docs.materialsproject.org/community/getting-involved/contributor-guide.md): How to get new code into Materials Project repositories.
- [Potential Collaborators](https://docs.materialsproject.org/community/getting-involved/potential-collaborators.md)
- [MP Community Software Ecosystem](https://docs.materialsproject.org/community/getting-involved/mp-community-software-ecosystem.md): Software that directly builds upon core MP infrastructure but is not directly affiliated with MP.
- [Community Resources](https://docs.materialsproject.org/community/community-resources.md): Links to Materials Project (MP) Community Resources and information about the MP Workshop.
- [Code of Conduct](https://docs.materialsproject.org/community/code-of-conduct.md): Guidance for conduct within the Materials Project (MP) organization.
- [MPContribs](https://docs.materialsproject.org/services/mpcontribs.md): Introduction to MP's contribution platform MPContribs
- [ML & AI applications](https://docs.materialsproject.org/services/ml-and-ai-applications.md): This section summarizes the ways in which Materials Project and its collaborators' data and tools can help with the development of new ML methods.
- [MatBench](https://docs.materialsproject.org/services/ml-and-ai-applications/matbench.md): Tools for assessing the ability of machine learning models to predict materials properties, similar to ML community standards like ImageNet
- [Matbench Discovery](https://docs.materialsproject.org/services/ml-and-ai-applications/matbench-discovery.md): With Janosh Riebesell of Alpha Lee's and Kristin Persson's groups
- [MPtrj](https://docs.materialsproject.org/services/ml-and-ai-applications/mptrj.md)
- [r2SCAN datasets](https://docs.materialsproject.org/services/ml-and-ai-applications/matpes.md): Development of robust, high fidelity datasets for training universal machine learning interatomic potentials
- [MP + LLMs (MCP)](https://docs.materialsproject.org/services/ml-and-ai-applications/mcp.md): Model context protocols for integrating Materials Project data with large lanuage models.
- [Materials Methodology](https://docs.materialsproject.org/methodology/materials-methodology.md): Overview of methodology for materials-related calculations and analyses on the Materials Project (MP).
- [Overview](https://docs.materialsproject.org/methodology/materials-methodology/overview.md): An overview of materials methodology.
- [Calculation Details](https://docs.materialsproject.org/methodology/materials-methodology/calculation-details.md): Details of calculation parameters for the density functional theory (DFT) calculation results contained in the Materials Project (MP) database.
- [GGA/GGA+U Calculations](https://docs.materialsproject.org/methodology/materials-methodology/calculation-details/gga+u-calculations.md): Details on GGA and GGA+U calculations run by the Materials Project
- [Parameters and Convergence](https://docs.materialsproject.org/methodology/materials-methodology/calculation-details/gga+u-calculations/parameters-and-convergence.md): Parameter and convergence details for GGA and GGA+U calculations run by the Materials Project
- [Hubbard U Values](https://docs.materialsproject.org/methodology/materials-methodology/calculation-details/gga+u-calculations/hubbard-u-values.md): Details on Hubbard U corrections used by the Materials Project
- [Pseudo-potentials](https://docs.materialsproject.org/methodology/materials-methodology/calculation-details/gga+u-calculations/pseudopotentials.md): Description of the pseudo-potentials (PSP) used in the GGA and GGA+U calculations.
- [r2SCAN Calculations](https://docs.materialsproject.org/methodology/materials-methodology/calculation-details/r2scan-calculations.md): Details on r2SCAN calculations run by the Materials Project
- [Parameters and Convergence](https://docs.materialsproject.org/methodology/materials-methodology/calculation-details/r2scan-calculations/parameters-and-convergence.md): Parameter and convergence details for r2SCAN calculations run by the Materials Project
- [Pseudopotentials](https://docs.materialsproject.org/methodology/materials-methodology/calculation-details/r2scan-calculations/pseudopotentials.md): Description of the pseudopotentials used in the r2SCAN related calculations.
- [Thermodynamic Stability](https://docs.materialsproject.org/methodology/materials-methodology/thermodynamic-stability.md)
- [Energy Corrections](https://docs.materialsproject.org/methodology/materials-methodology/thermodynamic-stability/thermodynamic-stability.md): How energy adjustments and corrections are calculated on the Materials Project (MP) website.
- [Anion and GGA/GGA+U Mixing](https://docs.materialsproject.org/methodology/materials-methodology/thermodynamic-stability/thermodynamic-stability/anion-and-gga-gga+u-mixing.md): Details on anion and GGA/GGA+U mixing scheme corrections
- [GGA/GGA+U/r2SCAN Mixing](https://docs.materialsproject.org/methodology/materials-methodology/thermodynamic-stability/thermodynamic-stability/gga-gga+u-r2scan-mixing.md): Details on the GGA/GGA+U/r2SCAN mixing scheme corrections
- [Adding Energy Corrections to Custom Entries](https://docs.materialsproject.org/methodology/materials-methodology/thermodynamic-stability/thermodynamic-stability/adding-energy-corrections-to-custom-entries.md)
- [Phase Diagrams (PDs)](https://docs.materialsproject.org/methodology/materials-methodology/thermodynamic-stability/phase-diagrams-pds.md): A description of the methodology for constructing and interpreting compositional phase diagrams from the Materials Project (MP) website and API.
- [Chemical Potential Diagrams (CPDs)](https://docs.materialsproject.org/methodology/materials-methodology/thermodynamic-stability/chemical-potential-diagrams-cpds.md): Overview of how chemical potential diagrams (CPDs) are constructed and visualized. These are available as part of the Phase Diagram App.
- [Finite Temperature Estimation](https://docs.materialsproject.org/methodology/materials-methodology/thermodynamic-stability/finite-temperature-estimation.md): Description of the methodology used to estimate Gibbs free energies of formation at finite (T>0 K) temperature. This is an option available within the Phase Diagram App.
- [Electronic Structure](https://docs.materialsproject.org/methodology/materials-methodology/electronic-structure.md): How electronic band structures and density of states are calculated on the Materials Project (MP) website.
- [Phonon Dispersion](https://docs.materialsproject.org/methodology/materials-methodology/phonon-dispersion.md): How phonon dispersion and phonon band structures are calculated/visualized on the Materials Project (MP) website.
- [Diffraction Patterns](https://docs.materialsproject.org/methodology/materials-methodology/diffraction-patterns.md): How diffraction patterns are calculated on the Materials Project (MP) website.
- [Aqueous Stability (Pourbaix)](https://docs.materialsproject.org/methodology/materials-methodology/aqueous-stability-pourbaix.md): How aqueous stability (Pourbaix) diagrams are calculated and plotted on the Materials Project (MP) website.
- [Magnetic Properties](https://docs.materialsproject.org/methodology/materials-methodology/magnetic-properties.md): How magnetic properties are calculated on the Materials Project (MP) website.
- [Elastic Constants](https://docs.materialsproject.org/methodology/materials-methodology/elasticity.md): How elastic constants are calculated on the Materials Project (MP) website.
- [Piezoelectric Constants](https://docs.materialsproject.org/methodology/materials-methodology/piezoelectric-constants.md): How piezoelectric constants are calculated for the Materials Project (MP) website.
- [Dielectric Constants](https://docs.materialsproject.org/methodology/materials-methodology/dielectricity.md): How dielectric constants are calculated on the Materials Project (MP) website.
- [Equations of State (EOS)](https://docs.materialsproject.org/methodology/materials-methodology/equations-of-state.md): How equations of state (EOS) are calculated on the Materials Project (MP) website.
- [X-ray Absorption Spectra (XAS)](https://docs.materialsproject.org/methodology/materials-methodology/x-ray-absorption-spectra.md): How x-ray absorption spectra are calculated on the Materials Project (MP) website.
- [Surface Energies](https://docs.materialsproject.org/methodology/materials-methodology/surface-energies.md)
- [Grain Boundaries](https://docs.materialsproject.org/methodology/materials-methodology/grain-boundaries.md): How grain boundaries are calculated on the Materials Project (MP) website.
- [Charge Density](https://docs.materialsproject.org/methodology/materials-methodology/charge-density.md): Obtaining the charge density shown on the Materials Project (MP) website.
- [Suggested Substrates](https://docs.materialsproject.org/methodology/materials-methodology/suggested-substrates.md): How suggested substrates are calculated on the Materials Project (MP) website.
- [Related Materials](https://docs.materialsproject.org/methodology/materials-methodology/related-materials.md): How related materials are identified on the Materials Project (MP) website.
- [Optical absorption spectra](https://docs.materialsproject.org/methodology/materials-methodology/optical-absorption-spectra.md): How optical absorption spectra are calculated on the Materials Project (MP) website.
- [Alloys](https://docs.materialsproject.org/methodology/materials-methodology/alloys.md): How alloy data is calculated on the Materials Project (MP) website.
- [Understanding Structures and Properties in the Materials Project](https://docs.materialsproject.org/methodology/materials-methodology/understanding-structures-and-properties-in-the-materials-project.md)
- [Molecules Methodology](https://docs.materialsproject.org/methodology/molecules-methodology.md): Overview of methodology for molecules-related calculations and analyses on the Materials Project (MP).
- [Overview](https://docs.materialsproject.org/methodology/molecules-methodology/overview.md): An overview of the molecules methodology
- [Calculation Details](https://docs.materialsproject.org/methodology/molecules-methodology/calculation-details.md): Details of parameters for molecular DFT calculations contained in the Materials Project for molecules (MPcules) database.
- [Atomic Partial Charges](https://docs.materialsproject.org/methodology/molecules-methodology/atomic-partial-charges.md): How partial charges are determined in MPcules
- [Atomic Partial Spins](https://docs.materialsproject.org/methodology/molecules-methodology/atomic-partial-spins.md): How partial spins for open-shell molecules are determined in MPcules
- [Bonding](https://docs.materialsproject.org/methodology/molecules-methodology/bonding.md): How chemical bonds are determined in MPcules
- [Metal Coordination and Binding](https://docs.materialsproject.org/methodology/molecules-methodology/metal-coordination-and-binding.md): How coordination properties of metals (e.g. binding energies) are determined in MPcules
- [Natural Atomic and Molecular Orbitals](https://docs.materialsproject.org/methodology/molecules-methodology/natural-atomic-and-molecular-orbitals.md): How MPcules collects data from natural bonding orbital (NBO) analysis
- [Redox and Electrochemical Properties](https://docs.materialsproject.org/methodology/molecules-methodology/redox-and-electrochemical-properties.md): How properties related to charge transfer are determined in MPcules
- [Molecular Thermodynamics](https://docs.materialsproject.org/methodology/molecules-methodology/molecular-thermodynamics.md): How MPcules calculate the thermochemical properties of molecules
- [Vibrational Properties](https://docs.materialsproject.org/methodology/molecules-methodology/vibrational-properties.md): How molecular vibrational properties are determined in MPcules
- [Legacy Data](https://docs.materialsproject.org/methodology/molecules-methodology/legacy-data.md): Describing the data present in the original Molecule Explorer
- [MOF Methodology](https://docs.materialsproject.org/methodology/mof-methodology.md): Overview of methodology for metal-organic framework (MOF)-related calculations and analyses on the Materials Project (MP).
- [Calculation Parameters](https://docs.materialsproject.org/methodology/mof-methodology/calculation-parameters.md): What VASP settings were used?
- [DFT Parameters](https://docs.materialsproject.org/methodology/mof-methodology/calculation-parameters/dft-parameters.md): Description of the density functional theory (DFT) parameters used in MOF calculation results displayed on the Materials Project (MP) website.
- [Density Functionals](https://docs.materialsproject.org/methodology/mof-methodology/calculation-parameters/density-functionals.md): Description of the density functional theory (DFT) functionals and level of theory used in MOF calculation results displayed on the Materials Project (MP) website.
- [Pseudopotentials](https://docs.materialsproject.org/methodology/mof-methodology/calculation-parameters/psuedopotentials.md)
- [DFT Workflow](https://docs.materialsproject.org/methodology/mof-methodology/calculation-parameters/dft-workflow.md): How to run a density functional theory (DFT) workflow for calculating / optimizing MOFs.
- [Explore and Search Apps](https://docs.materialsproject.org/apps/explorer-apps.md)
- [Materials Explorer](https://docs.materialsproject.org/apps/explorer-apps/materials-explorer.md)
- [Tutorial](https://docs.materialsproject.org/apps/explorer-apps/materials-explorer/tutorial.md)
- [Molecules Explorer](https://docs.materialsproject.org/apps/explorer-apps/molecules-explorer.md)
- [Tutorial](https://docs.materialsproject.org/apps/explorer-apps/molecules-explorer/tutorial.md)
- [Legacy Data](https://docs.materialsproject.org/apps/explorer-apps/molecules-explorer/legacy-data.md)
- [Battery Explorer](https://docs.materialsproject.org/apps/explorer-apps/battery-explorer.md): This section presents some basic information about the Battery Explorer app on MP and a short tutorial of how to use it.
- [Background](https://docs.materialsproject.org/apps/explorer-apps/battery-explorer/background.md)
- [Oxygen evolution reaction](https://docs.materialsproject.org/apps/explorer-apps/battery-explorer/background/oxygen-evolution-reaction.md)
- [Tutorial](https://docs.materialsproject.org/apps/explorer-apps/battery-explorer/tutorial.md)
- [Synthesis Explorer](https://docs.materialsproject.org/apps/explorer-apps/synthesis-explorer.md): Search synthesis recipes extracted from literature sources by natural language processing.
- [Background](https://docs.materialsproject.org/apps/explorer-apps/synthesis-explorer/background.md)
- [Tutorial](https://docs.materialsproject.org/apps/explorer-apps/synthesis-explorer/tutorial.md)
- [Catalysis Explorer](https://docs.materialsproject.org/apps/explorer-apps/catalysis-explorer.md)
- [Tutorial](https://docs.materialsproject.org/apps/explorer-apps/catalysis-explorer/tutorial.md): Tutorial on using Catalysis Explorer
- [MOF Explorer](https://docs.materialsproject.org/apps/explorer-apps/mof-explorer.md): Predicted properties for metal–organic frameworks (MOFs) and coordination polymers, derived from the QMOF Database.
- [Downloading the Data](https://docs.materialsproject.org/apps/explorer-apps/mof-explorer/downloading-the-data.md): How to download the data available on https://materialsproject.org/mofs
- [Structure Details](https://docs.materialsproject.org/apps/explorer-apps/mof-explorer/structure-details.md): Neat structures! Tell me a bit about them?
- [QMOF IDs](https://docs.materialsproject.org/apps/explorer-apps/mof-explorer/structure-details/qmof-ids.md): What is a QMOF ID?
- [Structure Sources](https://docs.materialsproject.org/apps/explorer-apps/mof-explorer/structure-details/structure-sources.md): Where did each of the initial structures come from?
- [Finding MOFs by Common Name](https://docs.materialsproject.org/apps/explorer-apps/mof-explorer/structure-details/finding-mofs-by-common-name.md): How do I find a MOF by its common name?
- [Structural Fidelity](https://docs.materialsproject.org/apps/explorer-apps/mof-explorer/structure-details/structural-fidelity.md): Some nuances about structures in the QMOF Database (and all MOF databases, in fact)
- [Property Definitions](https://docs.materialsproject.org/apps/explorer-apps/mof-explorer/property-definitions.md)
- [SMILES, MOFid, and MOFkey](https://docs.materialsproject.org/apps/explorer-apps/mof-explorer/property-definitions/smiles-mofid-and-mofkey.md): What are SMILES strings, a MOFid, and a MOFkey?
- [Pore Geometry](https://docs.materialsproject.org/apps/explorer-apps/mof-explorer/property-definitions/pore-geometry.md): How were pore-based properties computed?
- [Topology](https://docs.materialsproject.org/apps/explorer-apps/mof-explorer/property-definitions/topology.md): What is a MOF topology, and how was it determined?
- [Electronic Structure](https://docs.materialsproject.org/apps/explorer-apps/mof-explorer/property-definitions/electronic-structure.md): How were electronic structure properties computed?
- [Population Analyses and Bond Orders](https://docs.materialsproject.org/apps/explorer-apps/mof-explorer/property-definitions/population-analyses-and-bond-orders.md): How were partial atomic charges, atomic spin densities, and effective bond orders computed?
- [Symmetry](https://docs.materialsproject.org/apps/explorer-apps/mof-explorer/property-definitions/symmetry.md): How is the symmetry determined?
- [Version History](https://docs.materialsproject.org/apps/explorer-apps/mof-explorer/version-history.md): Changes made to the QMOF Database: https://doi.org/10.6084/m9.figshare.13147324
- [How to Cite](https://docs.materialsproject.org/apps/explorer-apps/mof-explorer/how-to-cite.md): Please appropriately cite our work if you find it useful!
- [Analysis Apps](https://docs.materialsproject.org/apps/analysis-apps.md)
- [Phase Diagram](https://docs.materialsproject.org/apps/analysis-apps/phase-diagram.md): Background, tutorials, and FAQ for the Phase Diagram App on the Materials Project (MP) website.
- [Background](https://docs.materialsproject.org/apps/analysis-apps/phase-diagram/background.md): Description of the components of the phase diagram app, the intended functionality of each component, and a short review of the origin of the phase diagram construction and MP thermodynamic data.
- [Tutorials](https://docs.materialsproject.org/apps/analysis-apps/phase-diagram/tutorials.md): Visual walkthroughs of common use cases of the Phase Diagram App on Materials Project.
- [FAQ](https://docs.materialsproject.org/apps/analysis-apps/phase-diagram/faq.md): A repository for frequently asked questions (FAQs) and their answers for the Phase Diagram App.
- [Pourbaix Diagram](https://docs.materialsproject.org/apps/analysis-apps/pourbaix-app.md): Background, tutorials, and FAQ for the Pourbaix Diagram App on the Materials Project (MP) website.
- [Background](https://docs.materialsproject.org/apps/analysis-apps/pourbaix-app/background.md)
- [Tutorial](https://docs.materialsproject.org/apps/analysis-apps/pourbaix-app/tutorial.md)
- [FAQ](https://docs.materialsproject.org/apps/analysis-apps/pourbaix-app/faq-+-known-issues.md)
- [Crystal Toolkit](https://docs.materialsproject.org/apps/analysis-apps/crystal-toolkit.md): Background, tutorials, and FAQ for the Crystal Toolkit app on the Materials Project (MP) website.
- [Background](https://docs.materialsproject.org/apps/analysis-apps/crystal-toolkit/background.md)
- [Tutorial](https://docs.materialsproject.org/apps/analysis-apps/crystal-toolkit/tutorial.md)
- [FAQ](https://docs.materialsproject.org/apps/analysis-apps/crystal-toolkit/faq.md)
- [Reaction Calculator](https://docs.materialsproject.org/apps/analysis-apps/reaction-calculator.md): Background, tutorials, and FAQ for the Reaction Calculator App on the Materials Project (MP) website.
- [Interface Reactions](https://docs.materialsproject.org/apps/analysis-apps/interface-reactions.md): Background, tutorials, and FAQ for the Interface Reactions App on the Materials Project (MP) website.
- [Characterization Apps](https://docs.materialsproject.org/apps/characterization-apps.md)
- [X-ray Absorption Spectra (XAS)](https://docs.materialsproject.org/apps/characterization-apps/x-ray-absorption-spectra-xas.md): Background, tutorials, and FAQ for the X-ray Absorption Spectra (XAS) App on the Materials Project (MP) website.
- [Explore Contributed Data](https://docs.materialsproject.org/apps/explore-contributed-data.md): Walkthrough for exploring contributed data on the Materials Project (MP) website.
- [How do I download the Materials Project database?](https://docs.materialsproject.org/downloading-data/how-do-i-download-the-materials-project-database.md): Methods for downloading data from the Materials Project (MP) database.
- [Using the API](https://docs.materialsproject.org/downloading-data/using-the-api.md)
- [Getting Started](https://docs.materialsproject.org/downloading-data/using-the-api/getting-started.md): Setting up the Materials Project API client.
- [Querying Data](https://docs.materialsproject.org/downloading-data/using-the-api/querying-data.md): An introduction on how to query for data with the Materials Project API client.
- [Tips for Large Downloads](https://docs.materialsproject.org/downloading-data/using-the-api/tips-for-large-downloads.md): Tips for downloading large data sets from the API
- [Examples](https://docs.materialsproject.org/downloading-data/using-the-api/examples.md): API query examples with the MPRester client.
- [Advanced Usage](https://docs.materialsproject.org/downloading-data/using-the-api/advanced-usage.md): Information for advanced users of the API.
- [Legacy API data](https://docs.materialsproject.org/downloading-data/using-the-api/legacy-api-data.md)
- [Differences between new and legacy API](https://docs.materialsproject.org/downloading-data/differences-between-new-and-legacy-api.md): Comparison between the old (legacy) and new Materials Project (MP) APIs.
- [Query and Download Contributed Data](https://docs.materialsproject.org/downloading-data/query-and-download-contributed-data.md): How to download contributed data from the Materials Project (MP) website/database.
- [AWS Open Data](https://docs.materialsproject.org/downloading-data/aws-opendata.md): MP data is also available through the AWS Open Data Program.
- [Legacy json Data on AWS Open Data](https://docs.materialsproject.org/downloading-data/aws-opendata/working_with_parquet.md): An introduction on how to interact with the json format data hosted on the Materials Project AWS Open Data buckets.
- [Materials Project Data Lakehouse](https://docs.materialsproject.org/materials-project-data-lakehouse.md): Documentation for the evolving cloud-based catalog of data products that MP produces, maintains, and provides to users.
- [Supported Data Products](https://docs.materialsproject.org/materials-project-data-lakehouse/supported-data-products.md): Migration of MP's data products to cloud-native formats is an going process. Tiered progress for each data product is tracked here
- [Access-controlled Data](https://docs.materialsproject.org/materials-project-data-lakehouse/access-controlled-data.md): Not all data products provided by the Materials Project are subject to the same terms of use
- [Arrow, Parquet, and OTFs](https://docs.materialsproject.org/materials-project-data-lakehouse/arrow-parquet-and-otfs.md)
- [Arrow Datasets & the MPDataset Interface](https://docs.materialsproject.org/materials-project-data-lakehouse/arrow-datasets.md): MP's python-like interface for arrow-backed data products and (anti)patterns for working with arrow data.
- [Leveraging External Query Engines](https://docs.materialsproject.org/materials-project-data-lakehouse/leveraging-external-query-engines.md): Leaving Python land
- [Contribute Data](https://docs.materialsproject.org/uploading-data/what-is-mpcontribs.md): How to contribute your own user-created data to the Materials Project (MP database/website.
- [Data Workflows](https://docs.materialsproject.org/data-production/data-workflows.md): Description of workflows used to calculate core Materials Project data.
- [Data Builders](https://docs.materialsproject.org/data-production/data-builders.md): Description of builders used to produce Materials Project data.
- [Identifier Systems](https://docs.materialsproject.org/data-production/identifiers.md)
- [Task Collection Migrations](https://docs.materialsproject.org/data-production/task-collection-migrations.md)