mcp-materials-project 0.1.0

MCP Server for Materials Project database - query material properties, crystal structures, and phase diagrams

Materials Project MCP Server

An MCP (Model Context Protocol) server that provides access to the Materials Project database for querying material properties, crystal structures, and phase diagrams.

Features

• fetch_full_material_data: Search materials by formula, elements, band gap, stability, etc.
• get_structure_details: Get crystal structure with lattice parameters and atomic sites
• search_materials_by_property: Search by specific property ranges (band gap, bulk modulus, etc.)
• get_phase_diagram_info: Get phase diagram entries for a chemical system
• compare_materials: Compare multiple materials side by side

Installation

From PyPI (Recommended)

pip install mcp-materials-project

From Source

git clone https://github.com/luffysolution-svg/mcp-materials-project.git
cd mcp-materials-project
pip install -r requirements.txt

Configuration

1. Get your API key from Materials Project

2. Set the environment variable:

# Windows
set MP_API_KEY=your_api_key_here

# Linux/macOS
export MP_API_KEY=your_api_key_here

Claude Code Configuration

Add to your ~/.claude/settings.json or project .mcp.json:

{
  "mcpServers": {
    "materials-project": {
      "command": "mcp-materials-project",
      "env": {
        "MP_API_KEY": "your_api_key_here"
      }
    }
  }
}

Or run directly:

claude mcp add materials-project -- mcp-materials-project

Then set the environment variable MP_API_KEY in your shell or add it to the config.

Claude Desktop Configuration

Add to your claude_desktop_config.json:

{
  "mcpServers": {
    "materials-project": {
      "command": "mcp-materials-project",
      "env": {
        "MP_API_KEY": "your_api_key_here"
      }
    }
  }
}

Usage Examples

Once configured, you can ask Claude:

• "Search for stable materials containing Li and O with band gap > 2 eV"
• "Get the crystal structure of mp-149 (Silicon)"
• "Compare mp-149, mp-2534, and mp-22862"
• "Show me the phase diagram for the Li-Fe-O system"

License

MIT