Materials id 24079 / Mg2PHO5 / P2_1/c (14)
==============================================================================

- Date page updated: 2018-4-17
- Space group type: P2_1/c (14) / -P 2ybc
- Number of formula units (Z): 16
- Phonon raw data: :download:`mp-24079-20180417.tar.lzma <./mp-24079-20180417.tar.lzma>`
- Link to Materials Project: `https://www.materialsproject.org/materials/mp-24079/ <https://www.materialsproject.org/materials/mp-24079/>`_

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

.. image:: mp-24079-band.png

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

.. image:: mp-24079-dos.png

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

Imaginary modes are excluded if they exist.

.. image:: mp-24079-tprops.png

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

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

::

   lattice:
   - [     9.6728903800000001,     0.0000000000000000,    -0.0158309500000000 ] # a
   - [     0.0000000000000000,    12.8878708700000004,     0.0000000000000000 ] # b
   - [    -3.8365901000000000,     0.0000000000000000,    11.4799023299999998 ] # c
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   - symbol: Mg # 97
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   poscar_order:
   - 1
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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/
   :alt: license