Materials id 14802 / LuAu2F9 / Pbcn (60)
==============================================================================

- Date page updated: 2018-4-17
- Space group type: Pbcn (60) / -P 2n 2ab
- Number of formula units (Z): 12
- Phonon raw data: :download:`mp-14802-20180417.tar.lzma <./mp-14802-20180417.tar.lzma>`
- Link to Materials Project: `https://www.materialsproject.org/materials/mp-14802/ <https://www.materialsproject.org/materials/mp-14802/>`_

Phonon band structure
----------------------

.. image:: mp-14802-band.png

Phonon DOS
-----------

.. image:: mp-14802-dos.png

Thermal properties at constant volume
--------------------------------------

Imaginary modes are excluded if they exist.

.. image:: mp-14802-tprops.png

POSCAR.yaml
----------------

POSCAR.yaml shows the crystal structure after the relaxation used for this phonon calculation.

::

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   - [     0.0000000000000000,     0.0000000000000000,    21.2831359199999994 ] # c
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   poscar_order:
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Citation
-----------

.. _the Materials Project: https://www.materialsproject.org/
.. _the Materials Project citation: https://materialsproject.org/citing
.. _SeeK-path: http://materialscloud.org/tools/seekpath

..

The initial crystal structure used to perform phonon calculation is
obtained from `the Materials Project`_. The phonon band structure
paths are determined using `SeeK-path`_. More details about how to
obtain the crystal structure, how to determine the band structure
paths, and those citations are found at
:ref:`crystal_structure_and_citation`.

License
--------------

The contents of this web page are licensed under a `Creative Commons
4.0 Attribution International License
<http://creativecommons.org/licenses/by/4.0/>`_.

.. image :: https://i.creativecommons.org/l/by/4.0/88x31.png
   :target: http://creativecommons.org/licenses/by/4.0/
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