Which integrations are available for this server?

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.

How do I use Materials Project MCP?

1. Click on "Install Server". 2. Wait a few minutes for the server to deploy. Once ready, it will show a "Started" state. 3. In the chat, type @ followed by the MCP server name and your instructions, e.g., "@Materials Project MCP find materials containing silicon and oxygen with band gap less than 2 eV" That's it! The server will respond to your query, and you can continue using it as needed. Here is a step-by-step guide with screenshots.

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 .

Related MCP server: WolframAlpha LLM MCP Server

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 mpr

Set 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]"