Skip to main content

Python API for searching AFLOW database.

Project description

Build Status Coverage Status

AFLOW Python API

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:

@ARTICLE{2017arXiv171000813R,
   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 = {http://adsabs.harvard.edu/abs/2017arXiv171000813R},
  adsnote = {Provided by the SAO/NASA Astrophysics Data System}
}

Quickstart

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
        ).select(K.agl_thermal_conductivity_300K
        ).filter(K.Egap > 6).orderby(K.agl_thermal_conductivity_300K, True)

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

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.

Project details


Download files

Download the file for your platform. If you're not sure which to choose, learn more about installing packages.

Filename, size & hash SHA256 hash help File type Python version Upload date
aflow-0.0.8-py2-none-any.whl (45.1 kB) Copy SHA256 hash SHA256 Wheel py2 Jan 8, 2018
aflow-0.0.8.tar.gz (27.8 kB) Copy SHA256 hash SHA256 Source None Jan 8, 2018

Supported by

Elastic Elastic Search Pingdom Pingdom Monitoring Google Google BigQuery Sentry Sentry Error logging AWS AWS Cloud computing DataDog DataDog Monitoring Fastly Fastly CDN SignalFx SignalFx Supporter DigiCert DigiCert EV certificate StatusPage StatusPage Status page