search_by_elastic_properties

Instructions

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

Implementation Reference

• src/mcp_materials/server.py:624-697 (handler)

  The core handler function for the 'search_by_elastic_properties' tool. Decorated with @mcp.tool() for automatic registration and schema inference from type hints and docstring. Implements search on Materials Project elasticity data using bulk and shear modulus ranges.

  @mcp.tool()
  def search_by_elastic_properties(
      min_bulk_modulus: float | None = None,
      max_bulk_modulus: float | None = None,
      min_shear_modulus: float | None = None,
      max_shear_modulus: float | None = None,
      max_results: int = 10,
  ) -> str:
      """
      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
      """
      has_key, key_or_error = check_api_key()
      if not has_key:
          return json.dumps({"error": key_or_error})
  
      try:
          from mp_api.client import MPRester
  
          with MPRester(key_or_error) as mpr:
              search_kwargs: dict[str, Any] = {
                  "num_chunks": 1,
                  "chunk_size": max_results * 2,
              }
  
              # Add bulk modulus filter
              if min_bulk_modulus is not None or max_bulk_modulus is not None:
                  bulk_range = (
                      min_bulk_modulus if min_bulk_modulus else 0,
                      max_bulk_modulus if max_bulk_modulus else 1000,
                  )
                  search_kwargs["bulk_modulus"] = bulk_range
  
              # Add shear modulus filter
              if min_shear_modulus is not None or max_shear_modulus is not None:
                  shear_range = (
                      min_shear_modulus if min_shear_modulus else 0,
                      max_shear_modulus if max_shear_modulus else 1000,
                  )
                  search_kwargs["shear_modulus"] = shear_range
  
              docs = mpr.materials.elasticity.search(**search_kwargs)
  
              results = []
              for doc in docs[:max_results]:
                  results.append({
                      "material_id": str(doc.material_id),
                      "formula": doc.formula_pretty if hasattr(doc, 'formula_pretty') else None,
                      "bulk_modulus_GPa": doc.bulk_modulus.vrh if doc.bulk_modulus else None,
                      "shear_modulus_GPa": doc.shear_modulus.vrh if doc.shear_modulus else None,
                      "universal_anisotropy": doc.universal_anisotropy if hasattr(doc, 'universal_anisotropy') else None,
                  })
  
              return json.dumps({
                  "query": {
                      "bulk_modulus_range_GPa": [min_bulk_modulus, max_bulk_modulus],
                      "shear_modulus_range_GPa": [min_shear_modulus, max_shear_modulus],
                  },
                  "count": len(results),
                  "materials": results,
              }, indent=2)
  
      except Exception as e:
          return json.dumps({"error": str(e)})

• src/mcp_materials/server.py:19-19 (registration)

  Initialization of the FastMCP server instance where all @mcp.tool() decorated functions are automatically registered as tools.

  mcp = FastMCP("materials-science")

• src/mcp_materials/server.py:625-644 (schema)

  Input schema defined by function parameters with type hints (float | None, int) and comprehensive docstring describing arguments and return format (JSON). Output is standardized JSON with query summary and results.

  def search_by_elastic_properties(
      min_bulk_modulus: float | None = None,
      max_bulk_modulus: float | None = None,
      min_shear_modulus: float | None = None,
      max_shear_modulus: float | None = None,
      max_results: int = 10,
  ) -> str:
      """
      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
      """