materials-database-querier

# Materials Database Querier ## Purpose The Materials Database Querier skill provides unified access to multiple materials databases for structure and property retrieval, enabling comprehensive materials search and data aggregation across repositories. ## Capabilities - Materials Project API integration - AFLOW database queries - ICSD/CSD structure retrieval - NOMAD repository access - Cross-database searches - Property aggregation and comparison ## Usage Guidelines ### Database Query Workflow 1. **Query Design** - Define search criteria - Select target databases - Set property filters 2. **Data Retrieval** - Execute queries - Handle pagination - Aggregate results 3. **Data Processing** - Standardize formats - Compare across sources - Export for analysis ## Process Integration - Machine Learning Materials Discovery Pipeline - DFT Calculation Pipeline for Nanomaterials - Structure-Property Correlation Analysis ## Input Schema ```json { "query_type": "composition|structure|property", "databases": ["materials_project", "aflow", "icsd"], "criteria": { "elements": ["string"], "property_range": {"property": "string", "min": "number", "max": "number"} }, "limit": "number" } ``` ## Output Schema ```json { "materials": [{ "id": "string", "formula": "string", "structure_file": "string", "properties": { "bandgap": "number", "formation_energy": "number" }, "source": "string" }], "total_f...