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qualityEnables interaction with the Metal Framework by providing documentation search and code generation capabilities using natural language queries.
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Allows interaction with GitHub repositories, specifically accessing the Materials Project MCP repository for cloning and development purposes.
Supports testing of the Materials Project MCP codebase through pytest integration for verification of functionality.
Enables programmatic interaction with the Materials Project database through Python, allowing custom scripts to retrieve and process materials data.
Materials Project MCP
A fastmcp-based tool for writing prompts against data in the Materials Project database.
Installation
You can install the package from source:
pip install -e .
Or using uv:
uv pip install -e .
Usage
You can use the CLI:
mp-mcp
Or import in your Python code:
from materials_project_mcp.main import create_mcp
mcp = create_mcp()
mcp.run()
API Key Setup
The Materials Project API requires an API key. You can set up your API key in several ways:
Pass it directly to the MPRester:
from mp_api.client import MPRester with MPRester("your_api_key_here") as mpr: # do stuff with mprSet it as an environment variable:
export MP_API_KEY="your_api_key_here"
Example
Here's a simple example that demonstrates how to use the MCP tools directly:
import os
import json
from materials_project_mcp.tools import (
get_materials_with_elements,
get_material_details,
find_materials_by_formula
)
# Set your API key
os.environ["MP_API_KEY"] = "your_api_key_here"
# Or load it from a file
# with open("~/materials_project_api.key", "r") as f:
# os.environ["MP_API_KEY"] = f.read().strip()
# Function to print JSON data in a readable format
def print_json(data):
print(json.dumps(data, indent=2))
# Find materials containing Fe and O
print("\n=== Finding materials containing Fe and O ===")
materials = get_materials_with_elements(
elements=["Fe", "O"],
max_records=3
)
print_json(materials)
# Get details for a specific material
if materials:
material_id = materials[0]["material_id"]
print(f"\n=== Getting details for material {material_id} ===")
details = get_material_details(material_id)
print_json(details)
# Find materials with a specific formula
print("\n=== Finding materials with formula Fe2O3 ===")
formula_materials = find_materials_by_formula(
formula="Fe2O3",
max_records=3
)
print_json(formula_materials)
Development
Local Setup
# Clone the repository
git clone https://github.com/justaddcoffee/materials-project-mcp.git
cd materials-project-mcp
# Install development dependencies
uv pip install -e ".[dev]"
Running Tests
pytest
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