Free SKILL.md scraped from GitHub. Clone the repo or copy the file directly into your Claude Code skills directory.
npx versuz@latest install a5c-ai-babysitter-library-specializations-domains-science-nanotechnology-skills-magit clone https://github.com/a5c-ai/babysitter.gitcp babysitter/SKILL.MD ~/.claude/skills/a5c-ai-babysitter-library-specializations-domains-science-nanotechnology-skills-ma/SKILL.md---
name: materials-database-querier
description: Materials database query skill for accessing structure and property data from multiple repositories
allowed-tools:
- Read
- Write
- Glob
- Grep
- Bash
metadata:
specialization: nanotechnology
domain: science
category: computational
priority: high
phase: 6
tools-libraries:
- pymatgen
- Materials Project API
- AFLOW REST API
---
# 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"
}
}
```