solidstatetools 0.0.3

Unified crystallography, diffraction, and TEM analysis toolbox for materials science labs.

SolidStateTools

SolidStateTools is an open-source Python toolkit for solid-state physics and materials science. It provides streamlined tools for:

• Crystal structure analysis
• Lattice and plane projections
• Electronic band-structure calculations
• Visualization utilities for solid-state materials

Whether you work on semiconductors, crystalline materials, or computational materials research, SolidStateTools offers a unified and extensible environment.

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Features

Crystal Structure Analysis

• Load, parse, and manipulate standard structure formats (CIF, POSCAR, JSON…)
• Compute symmetry, coordination, distances, angles
• Generate primitive and conventional cells
• Apply transformations (strain, rotation, supercells)

Lattice & Plane Projections

• Miller-indexed plane projection tools
• 2D and 3D lattice visualization
• Real-space and reciprocal-space coordinate transforms
• Projection along arbitrary crystallographic directions

Band Diagram Calculations

• Build k-paths from high-symmetry points
• Compute simplified electronic band structures
• Import band data from external DFT codes
• Automatic plotting and formatting

Visualization Tools

• 2D plotting of planes, band diagrams, and projections
• 3D interactive crystal structure viewers
• Publication-ready figures (Matplotlib-based)

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Installation

pip install solidstatetools

Or from source:

git clone https://github.com/SemiconductorsLaboratory/solidstatetools.git
cd solidstatetools
pip install -e .

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Quick Start

Load a structure and inspect it

import solidstatetools.crystal

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Documentation

Full documentation is available at:

Add link here once you publish docs

It includes tutorials for:

• structure transformations
• band diagram generation
• crystallographic plane analysis
• visualization examples

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Benchmarks & Validation

The methods and algorithms implemented in SolidStateTools follow standard treatments used in solid-state physics and materials science. Comparison notebooks with VASP, Quantum ESPRESSO, and pymatgen outputs will be included.

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Contributing

Contributions are welcome — bug fixes, new features, documentation improvements, and more.

To contribute:

git clone https://github.com/SemiconductorsLaboratory/solidstatetools.git
git checkout -b my-feature
# make changes
pytest

Please open a pull request once your feature is ready.

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License

... License.

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Acknowledgements

This project is inspired by common workflows in materials science and solid-state physics, aiming to provide a unified and intuitive toolkit.

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