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HeshamFS

MCP Materials Server

by HeshamFS

Server Configuration

Describes the environment variables required to run the server.

NameRequiredDescriptionDefault
MP_API_KEYYesYour Materials Project API key (get one free at https://materialsproject.org/api)

Instructions

Guidance the server publishes about itself, which clients place ahead of the tool catalog so the model reads it before choosing anything.

This server publishes no instructions, or was last inspected before Glama recorded them.

Capabilities

Server capabilities have not been inspected yet.

Tools

Functions exposed to the LLM to take actions

NameDescription
search_materialsB
Search for materials by chemical formula in the Materials Project database.

Args:
    formula: Chemical formula (e.g., "Fe2O3", "LiFePO4", "Si")
    max_results: Maximum number of results to return (default: 10)

Returns:
    JSON with matching materials including material_id, formula, and key properties
get_structureA
Get the crystal structure for a material from Materials Project.

Args:
    material_id: Materials Project ID (e.g., "mp-149" for Silicon)
    format: Output format - "cif", "poscar", or "json" (default: "cif")

Returns:
    Crystal structure in the requested format
get_propertiesB
Get detailed properties for a specific material from Materials Project.

Args:
    material_id: Materials Project ID (e.g., "mp-149" for Silicon)

Returns:
    JSON with comprehensive material properties
compare_materialsB
Compare properties of multiple materials side by side.

Args:
    material_ids: List of Materials Project IDs (e.g., ["mp-149", "mp-66"])

Returns:
    JSON table comparing key properties across materials
search_by_elementsB
Search for materials containing specific elements.

Args:
    elements: List of elements that must be present (e.g., ["Li", "Fe", "O"])
    exclude_elements: Optional list of elements to exclude
    max_results: Maximum number of results (default: 10)

Returns:
    JSON with matching materials
search_by_band_gapB
Search for materials by band gap range.

Args:
    min_gap: Minimum band gap in eV (default: 0)
    max_gap: Maximum band gap in eV (default: 10)
    direct_gap_only: Only return materials with direct band gaps
    max_results: Maximum number of results (default: 10)

Returns:
    JSON with materials in the specified band gap range
get_similar_structuresC
Find materials with similar crystal structures.

Args:
    material_id: Materials Project ID to find similar structures for
    max_results: Maximum number of similar structures (default: 5)

Returns:
    JSON with structurally similar materials
get_phase_diagramB
Get phase diagram data for a chemical system.

Args:
    elements: List of elements defining the system (e.g., ["Li", "Fe", "O"] for Li-Fe-O system)

Returns:
    JSON with phase diagram entries including stable phases, formation energies, and decomposition products
get_elastic_propertiesB
Get elastic and mechanical properties for a material.

Args:
    material_id: Materials Project ID (e.g., "mp-149" for Silicon)

Returns:
    JSON with elastic properties including bulk modulus, shear modulus,
    Young's modulus, Poisson's ratio, and elastic tensor
search_by_elastic_propertiesB
Search for materials by elastic/mechanical properties.

Args:
    min_bulk_modulus: Minimum bulk modulus in GPa
    max_bulk_modulus: Maximum bulk modulus in GPa
    min_shear_modulus: Minimum shear modulus in GPa
    max_shear_modulus: Maximum shear modulus in GPa
    max_results: Maximum number of results (default: 10)

Returns:
    JSON with materials matching the elastic property criteria

Prompts

Interactive templates invoked by user choice

NameDescription
analyze_materialGenerate a prompt for comprehensive material analysis.
find_battery_materialsGenerate a prompt for finding battery electrode materials.
compare_alloy_compositionsGenerate a prompt for comparing alloy compositions.

Resources

Contextual data attached and managed by the client

NameDescription
get_periodic_tableGet periodic table data as a resource.
get_crystal_systemsGet crystal system reference data.

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