Materials Project
Cloud Services Creative Commons (Free with API key)
About
Crystallography, phase diagrams, band structures, and computed material properties from the Materials Project database. Access over 150,000 inorganic compounds and their DFT-computed properties.
Key Features
- Material properties: formation energy, band gap, density, magnetic moment
- Electronic band structure and density of states
- Phase diagram calculation for multi-component systems
- Elastic constants: bulk modulus, shear modulus, Young’s modulus
- MCP tools: mp_get_material_properties, mp_get_band_structure, mp_get_phase_diagram, mp_get_elastic_properties
- Requires free API key from materialsproject.org
Skills
MCP skills available for Materials Project, callable from AI workflows and the Paramus chat:
- Mp Get Bandstructure — Fetch electronic band structure (gap, VBM, CBM, num_bands) for a Materials Project material id.
- Mp Get Elastic — Fetch bulk/shear/Young moduli and Poisson ratio for a Materials Project material id.
- Mp Get Phase Diagram — Build a phase diagram for a chemical system from Materials Project entries.
- Mp Get Properties — Fetch summary properties (band gap, formation energy, density, symmetry) for a Materials Project material id.
- Mp Get Structure — Fetch the crystal structure for a Materials Project material id.
- Mp Health — Check Materials Project SDK availability and key configuration.
- Mp Info — Return Materials Project provider metadata.
- Mp Search Materials — Search the Materials Project DFT database by formula, elements, band gap range, or stability.
Browse the full Materials Project skill documentation
Frequently Asked Questions
What is Materials Project?
Materials Project is a cloud services application available in the Paramus App Store. Crystallography, phase diagrams, band structures, and computed material properties from the Materials Project database. Access over 150,000 inorganic compounds and their DFT-computed properties.
Is Materials Project free to use?
Yes. Materials Project is distributed under the Creative Commons (Free with API key) license and is available at no cost through the Paramus App Store.
How do I install Materials Project?
Materials Project is installed through Paramus Chemistry OS, an on-premise Windows platform for computational chemistry. Open the Paramus App Store in your local installation and select Materials Project for one-click deployment.
What are the key features of Materials Project?
Key features of Materials Project include: Material properties: formation energy, band gap, density, magnetic moment; Electronic band structure and density of states; Phase diagram calculation for multi-component systems; Elastic constants: bulk modulus, shear modulus, Young’s modulus.
What type of application is Materials Project?
Materials Project belongs to the “Cloud Services” category in the Paramus App Store. It runs on Paramus Chemistry OS and can also be accessed through Paramus Cloud for supported workflows.
What platform does Materials Project run on?
Materials Project runs on Paramus Chemistry OS, a Windows-based on-premise platform that provides local compute power for demanding simulations. It requires a Paramus OS installation with appropriate hardware resources.
Can Materials Project be automated or integrated with AI workflows?
Yes. Materials Project is available as part of the Paramus ecosystem which supports MCP (Model Context Protocol) tools for AI-driven automation. This enables integration with large language models and automated research pipelines.