.. _abx2:

Database of ABX2 materials
==========================

Database contains chalcopyrite, kesterite, and wurtzite polymorphs of II–IV–V2
and III–III–V2 materials investigated for light absorption in the visible
range. The data set includes stability information, band gaps, and carrier
effective masses.

.. container:: article

    Mohnish Pandey, Korina Kuhar, and Karsten W. Jacobsen

    `II–IV–V2 and III–III–V2 Polytypes as Light
    Absorbers for Single Junction and Tandem Photovoltaic Devices`__

    J. Phys. Chem. C, 2017, 121 (33), pp 17780–17786

    __ https://pubs.acs.org/doi/abs/10.1021/acs.jpcc.7b07437

.. contents::


The data
--------

* Download database: :download:`abx2.db`
* `Browse data <https://cmrdb.fysik.dtu.dk/abx2>`_


Key-value pairs
---------------


.. csv-table::
    :file: keytable.csv
    :header-rows: 1
    :widths: 3 10 1


Example
-------

mBEEF energies and the corresponding uncertainties for three phases:

.. image:: enthalpy.png
.. literalinclude:: enthalpy.py