---
name: materials-database-querier-a4a5e2746c52
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
graph:
  domains: [domain:nanotechnology]
  skillAreas: [skill-area:mathematical-reasoning, skill-area:physics-simulation, skill-area:data-analysis]
  workflows: [workflow:experiment-design]
  roles: [role:research-engineer]
---

# 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"
  }
}
```


---
Source attribution: a5c-ai
Original project: https://github.com/a5c-ai/babysitter/blob/feb68abe397acc14f32b34984975c48fedba2b33/library/specializations/domains/science/nanotechnology/skills/materials-database-querier/SKILL.md
License: MIT
License information: https://opensource.org/license/mit
Original upstream instructions; downloaded from Mega AI Hub.

## Upstream license notice

# MIT License

Copyright (c) 2025 A5C AI

Permission is hereby granted, free of charge, to any person obtaining a copy
of this software and associated documentation files (the "Software"), to deal
in the Software without restriction, including without limitation the rights
to use, copy, modify, merge, publish, distribute, sublicense, and/or sell
copies of the Software, and to permit persons to whom the Software is
furnished to do so, subject to the following conditions:

The above copyright notice and this permission notice shall be included in all
copies or substantial portions of the Software.

THE SOFTWARE IS PROVIDED "AS IS", WITHOUT WARRANTY OF ANY KIND, EXPRESS OR
IMPLIED, INCLUDING BUT NOT LIMITED TO THE WARRANTIES OF MERCHANTABILITY,
FITNESS FOR A PARTICULAR PURPOSE AND NONINFRINGEMENT. IN NO EVENT SHALL THE
AUTHORS OR COPYRIGHT HOLDERS BE LIABLE FOR ANY CLAIM, DAMAGES OR OTHER
LIABILITY, WHETHER IN AN ACTION OF CONTRACT, TORT OR OTHERWISE, ARISING FROM,
OUT OF OR IN CONNECTION WITH THE SOFTWARE OR THE USE OR OTHER DEALINGS IN THE
SOFTWARE.



# Mega AI Hub resource metadata

Creator / publisher: a5c-ai
Original project: https://github.com/a5c-ai/babysitter/blob/feb68abe397acc14f32b34984975c48fedba2b33/library/specializations/domains/science/nanotechnology/skills/materials-database-querier/SKILL.md
Attribution basis: Source repository record

Fields of work: Data & Analytics, Development & Engineering, Education & Research, Product Management
Roles: Data Scientist, Market Research Analyst, ML / AI Engineer, Product Manager, Researcher
Specialties: API
Tools: Aflow Rest Api, Materials Project Api, Pymatgen
Country applicability: Country not specified
Classification basis: Source catalog labels
Instruction SHA-256: b03c59bfec44d362dd7e73b194c3cbda172599bf0975c1733a72c03c0c01f0bb