Materials Project Documentation
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  • Introduction
  • Frequently Asked Questions (FAQ)
    • Glossary of Terms
  • Changes and Updates
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  • Methodology
    • Materials Methodology
      • Overview
      • Calculation Details
        • GGA/GGA+U Calculations
          • Parameters and Convergence
          • Hubbard U Values
          • Pseudo-potentials
        • r2SCAN Calculations
          • Parameters and Convergence
          • Pseudopotentials
      • Thermodynamic Stability
        • Energy Corrections
          • Anion and GGA/GGA+U Mixing
          • GGA/GGA+U/r2SCAN Mixing
        • Phase Diagrams (PDs)
        • Chemical Potential Diagrams (CPDs)
        • Finite Temperature Estimation
      • 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
      • Charge Density
      • Suggested Substrates
      • Related Materials
      • Optical absorption spectra
      • Alloys
    • Molecules Methodology
      • Overview
      • Calculation Details
      • Atomic Partial Charges
      • Atomic Partial Spins
      • Bonding
      • Metal Coordination and Binding
      • Natural Atomic and Molecular Orbitals
      • Redox and Electrochemical Properties
      • Molecular Thermodynamics
      • Vibrational Properties
      • Legacy Data
    • MOF Methodology
      • Calculation Parameters
        • DFT Parameters
        • Density Functionals
        • Pseudopotentials
        • DFT Workflow
  • Apps
    • Explore and Search Apps
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        • Tutorial
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        • Background
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        • Background
        • Tutorial
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        • Tutorial
      • MOF Explorer
        • Downloading the Data
        • Structure Details
          • QMOF IDs
          • Structure Sources
          • Finding MOFs by Common Name
          • Structural Fidelity
        • Property Definitions
          • SMILES, MOFid, and MOFkey
          • Pore Geometry
          • Topology
          • Electronic Structure
          • Population Analyses and Bond Orders
          • Symmetry
        • Version History
        • How to Cite
    • Analysis Apps
      • Phase Diagram
        • Background
        • Tutorials
        • FAQ
      • Pourbaix Diagram
        • Background
        • Tutorial
        • FAQ
      • Crystal Toolkit
        • Background
        • Tutorial
        • FAQ
      • Reaction Calculator
      • Interface Reactions
    • Characterization Apps
      • X-ray Absorption Spectra (XAS)
    • Explore Contributed Data
  • Downloading Data
    • How do I download the Materials Project database?
    • Using the API
      • Getting Started
      • Querying Data
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      • Examples
      • Advanced Usage
    • Differences between new and legacy API
    • Query and Download Contributed Data
    • AWS OpenData
  • Uploading Data
    • Contribute Data
  • Data Production
    • Data Workflows
    • Data Builders
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  • A transformation doesn't seem to be working?

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FAQ

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Last updated 2 years ago

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What input file formats are supported?

Any input file format supported by . This includes CIF, POSCAR, CSSR and pymatgen JSON. See for more information. Additional file formats might be supported on request.

A transformation doesn't seem to be working?

This is a known issue in some instances, where transformations may time out for certain larger crystal structures or combinations of inputs. Any transformation taking longer than 30 seconds will time out.

Please ask on the if this is a problem for you. We are improving this functionality over time. For advanced users, all transformations are also available for use via .

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