aflow-materials-discovery

# AFLOW Materials Discovery ## Purpose Provides expert guidance on AFLOW for high-throughput materials discovery, including database queries, workflow generation, and machine learning integration. ## Capabilities - AFLOW database API queries - Automatic workflow generation - Thermodynamic stability analysis - Prototype structure generation - Descriptor calculation - Machine learning integration ## Usage Guidelines 1. **Database Queries**: Search AFLOW database for materials 2. **Workflow Generation**: Create automatic DFT workflows 3. **Stability Analysis**: Analyze thermodynamic stability 4. **Prototypes**: Generate crystal structure prototypes 5. **ML Integration**: Calculate descriptors for ML models ## Tools/Libraries - AFLOW - aflow.py - Materials Project API