https://github.com/klarh/pyriodic-aflow

Python wrapper for the data in the AFLOW crystal prototypes database
https://github.com/klarh/pyriodic-aflow

Last synced: 7 days ago
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Python wrapper for the data in the AFLOW crystal prototypes database

• Host: GitHub
• URL: https://github.com/klarh/pyriodic-aflow
• Owner: klarh
• License: gpl-3.0
• Created: 2020-01-26T14:42:46.000Z (almost 5 years ago)
• Default Branch: master
• Last Pushed: 2020-01-29T22:53:25.000Z (almost 5 years ago)
• Last Synced: 2024-10-30T12:20:58.210Z (15 days ago)
• Language: Python
• Size: 356 KB
• Stars: 0
• Watchers: 3
• Forks: 0
• Open Issues: 0
• Metadata Files:
  • Readme: README.md
  • License: LICENSE

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README

        

## Introduction

`pyriodic-aflow` is an adapter that makes the [crystal

prototypes](http://aflowlib.org/CrystalDatabase/) found in the [AFLOW

project](http://aflowlib.org/) available using the API of the

[pyriodic](https://github.com/klarh/pyriodic) python library.

This project is not affiliated with AFLOW and merely provides a

streamlined way to access the data using a python interface.

## Installation

Install `pyriodic-aflow` from source:

```

pip install git+https://github.com/klarh/pyriodic-aflow

```

## Citation

The AFLOW developers request that you cite the following papers when

using data from their database:

* M. J. Mehl, D. Hicks, C. Toher, O. Levy, R. M. Hanson, G. L. W. Hart, and S. Curtarolo, The AFLOW Library of Crystallographic Prototypes: Part 1, Comp. Mat. Sci. 136, S1-S828 (2017). [(doi=10.1016/j.commatsci.2017.01.017)](http://dx.doi.org/10.1016/j.commatsci.2017.01.017)

* D. Hicks, M. J. Mehl, E. Gossett, C. Toher, O. Levy, R. M. Hanson, G. L. W. Hart, and S. Curtarolo, The AFLOW Library of Crystallographic Prototypes: Part 2, Comp. Mat. Sci. 161, S1-S1011 (2019). [(doi=10.1016/j.commatsci.2018.10.043)](http://dx.doi.org/10.1016/j.commatsci.2018.10.043)