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Python API for searching AFLOW database.

Project Description


Python API wrapping the AFLUX API language for AFLOW library. Note: This is not an official repo of the AFLOW consortium and is not maintained by them. API Documentation.

If you use this package, please cite it:

   author = {{Rosenbrock}, C.~W.},
    title = "{A Practical Python API for Querying AFLOWLIB}",
  journal = {ArXiv e-prints},
archivePrefix = "arXiv",
   eprint = {1710.00813},
 primaryClass = "cs.DB",
 keywords = {Computer Science - Databases},
     year = 2017,
    month = sep,
   adsurl = {},
  adsnote = {Provided by the SAO/NASA Astrophysics Data System}


Install aflow from the python package index:

pip install aflow

Open an ipython notebook or terminal and execute the query from the paper:

from aflow import *

result = search(batch_size=20
        ).filter(K.Egap > 6).orderby(K.agl_thermal_conductivity_300K, True)

# Now, you can just iterate over the results.
for entry in result:

aflow supports lazy evaluation. This means that if you didn’t ask for a particular property during the initial query, you can just ask for it later and the request will happen transparently in the background.

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aflow-0.0.8-py2-none-any.whl (45.1 kB) Copy SHA256 Checksum SHA256 py2 Wheel Jan 8, 2018
aflow-0.0.8.tar.gz (27.8 kB) Copy SHA256 Checksum SHA256 Source Jan 8, 2018

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