xrd-crystallography-analyzer
X-ray Diffraction skill for crystal structure, phase identification, and crystallite size analysis of nanomaterials
Best use case
xrd-crystallography-analyzer is best used when you need a repeatable AI agent workflow instead of a one-off prompt.
X-ray Diffraction skill for crystal structure, phase identification, and crystallite size analysis of nanomaterials
Teams using xrd-crystallography-analyzer should expect a more consistent output, faster repeated execution, less prompt rewriting.
When to use this skill
- You want a reusable workflow that can be run more than once with consistent structure.
When not to use this skill
- You only need a quick one-off answer and do not need a reusable workflow.
- You cannot install or maintain the underlying files, dependencies, or repository context.
Installation
Claude Code / Cursor / Codex
Manual Installation
- Download SKILL.md from GitHub
- Place it in
.claude/skills/xrd-crystallography-analyzer/SKILL.mdinside your project - Restart your AI agent — it will auto-discover the skill
How xrd-crystallography-analyzer Compares
| Feature / Agent | xrd-crystallography-analyzer | Standard Approach |
|---|---|---|
| Platform Support | Not specified | Limited / Varies |
| Context Awareness | High | Baseline |
| Installation Complexity | Unknown | N/A |
Frequently Asked Questions
What does this skill do?
X-ray Diffraction skill for crystal structure, phase identification, and crystallite size analysis of nanomaterials
Where can I find the source code?
You can find the source code on GitHub using the link provided at the top of the page.
SKILL.md Source
# XRD Crystallography Analyzer
## Purpose
The XRD Crystallography Analyzer skill provides crystallographic characterization of nanomaterials through X-ray diffraction analysis, enabling phase identification, crystallite size determination, and structural refinement.
## Capabilities
- Phase identification and Rietveld refinement
- Crystallite size (Scherrer equation)
- Lattice parameter calculation
- Preferred orientation analysis
- In-situ XRD capabilities
- PDF (Pair Distribution Function) analysis
## Usage Guidelines
### XRD Analysis
1. **Phase Identification**
- Match peaks to database entries
- Identify multiple phases
- Assess phase purity
2. **Crystallite Size**
- Apply Scherrer equation: D = Kl/(B cos theta)
- Account for instrumental broadening
- Use Williamson-Hall for strain
3. **Structural Refinement**
- Perform Rietveld refinement
- Extract lattice parameters
- Quantify phase fractions
## Process Integration
- Multi-Modal Nanomaterial Characterization Pipeline
- Structure-Property Correlation Analysis
- Nanoparticle Synthesis Protocol Development
## Input Schema
```json
{
"diffraction_file": "string",
"analysis_type": "phase_id|crystallite_size|refinement|pdf",
"wavelength": "number (Angstrom)",
"expected_phases": ["string"]
}
```
## Output Schema
```json
{
"phases": [{
"name": "string",
"pdf_number": "string",
"weight_fraction": "number"
}],
"crystallite_size": {
"value": "number (nm)",
"method": "string"
},
"lattice_parameters": {
"a": "number",
"b": "number",
"c": "number",
"space_group": "string"
},
"refinement_quality": {
"Rwp": "number",
"chi_squared": "number"
}
}
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