Metadata-Version: 2.1
Name: cif-retriever
Version: 1.0.0
Summary: CIF file retriever form pymatgen
Home-page: https://github.com/AlexiLJ/CIFretriver
Author: O.L.
Author-email: leiko.oleksandr@gmail.com
License: UNKNOWN
Platform: UNKNOWN
Classifier: License :: OSI Approved :: MIT License
Classifier: Programming Language :: Python :: 3
Classifier: Programming Language :: Python :: 3.6
Classifier: Programming Language :: Python :: 3.7
Classifier: Programming Language :: Python :: 3.8
Classifier: Programming Language :: Python :: 3.9
Classifier: Programming Language :: Python :: 3 :: Only
Requires-Python: >=3.6
Description-Content-Type: text/markdown
License-File: LICENSE
Requires-Dist: pandas
Requires-Dist: pymatgen
Requires-Dist: pytest

# CIFretriver
This python app retrieves data from the Materialproject API 
===========================================================
1. Make sure to get MP API KEY: https://materialsproject.org/open;
2. Install requirements with python -m pip install -r  requirements.txt
   or look at https://pymatgen.org/installation.html if you have any installation issues or MacOS;
3. Run main.py module, it will demand the API KEY you've got and then creates config.json file
   required for API authentification;
4. Insert "pretty formula" aka "SnO2" or "TiO2", then a query will be got;
5. You can save the query with the name 'pretty formula'.csv into the 'csv_data_set_for_elements' directory if you chose to,
   that will be created or updated automatically;
6. Then you can insert a material_id, this will retrieve you the conventional standard structure .cif file for requested material;
7. You can also plot material bandstructure; 
   If you using linux try: sudo apt-get install python3-tk;



