# Materials Database Querier

> Materials database query skill for accessing structure and property data from multiple repositories

- Skill: `a5c-ai/materials-database-querier` (Agent Skill)
- Install (CLI): `npx skillmds@latest add a5c-ai/materials-database-querier`
- Raw SKILL.md: https://api.skillmd.com/api/skills/a5c-ai/materials-database-querier/raw
- Safety review: pending (external: skill-scanner PASS, skillspector PASS)
- Works with: Claude Code, Claude.ai, OpenAI Codex
- Category: Coding & Dev Tools
- Author: a5c-ai (https://skillmd.com/u/a5c-ai)
- Updated: 2026-09-09
- Page: https://skillmd.com/skills/a5c-ai/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_found": "number",
  "query_metadata": {
    "databases_searched": ["string"],
    "query_time": "number"
  }
}
```