semvec/pypi-packages huggingface dataset:
solidstatetools 0.0.3
Unified crystallography, diffraction, and TEM analysis toolbox for materials science labs.
License: MIT
Requires Python: >=3.10
Keywords: materials, solid state, crystal


# **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

```bash
pip install solidstatetools
```

Or from source:

```bash
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

```python
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:

```bash
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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