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I've implemented a filter expression parser in python. See https://github.com/materialsproject/optimade and check it out with `pip install optimade`.
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Are there any queries for obtaining what materials-project ids ("mp-1234" and so on) are available? I don't really understand the system by which they are assigned...
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It can throw off parsing in client code.
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## System
* Pymatgen version: 2018.6.11
* Python version: 3.6.5 |Anaconda, Inc.| (default, Apr 29 2018, 16:14:56)
* OS version: Red Hat Linux 2.6.32-220.el6.x86_64
## Summary
* Reading a C…
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Dear community,
first of all I would like to thank you for the great work you put into the project. I started working with pymatgen a few months ago. I stumbled across the "bug" by accident and di…
MLars updated
5 years ago
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When reporting bugs/issues, please supply the following information. If
this is a feature request, please simply state the requested feature.
## System
* Pymatgen version:
* Python version:
…
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For some reason spglib is returning None for this structure. I figured it should at worst return P1 spacegroup info.
```python
from pymatgen import Structure
s = {'@class': 'Structure',
'@mod…
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Will first learn about how it works by going through tutorials here:
https://materialsproject.github.io/fireworks/
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## Summary
* Space group information lost when saving to cif
## Example code
```
import pymatgen as mg
from pymatgen import Lattice, Structure, Molecule
# Set up a cubic structure and writ…
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Will first learn about how it works by going through tutorials here:
https://materialsproject.github.io/fireworks/