Materials id 15560 / Ga(PO3)3 / Cc (9)
==============================================================================

- Date page updated: 2018-4-17
- Space group type: Cc (9) / C -2yc
- Number of formula units (Z): 12
- Phonon raw data: :download:`mp-15560-20180417.tar.lzma <./mp-15560-20180417.tar.lzma>`
- Link to Materials Project: `https://www.materialsproject.org/materials/mp-15560/ <https://www.materialsproject.org/materials/mp-15560/>`_

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

.. image:: mp-15560-band.png

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

.. image:: mp-15560-dos.png

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

Imaginary modes are excluded if they exist.

.. image:: mp-15560-tprops.png

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

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

::

   lattice:
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   - [     0.0000000000000000,    19.0192333100000006,     0.0000000000000000 ] # b
   - [    -5.6003022900000001,     0.0000000000000000,     7.5038660100000003 ] # c
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     mass: 69.723000
   - symbol: Ga # 151
     coordinates: [  0.2716166500000000,  0.0888149000000000,  0.0353830400000000 ]
     mass: 69.723000
   - symbol: Ga # 152
     coordinates: [  0.7716166500000000,  0.4111851000000000,  0.5353830400000000 ]
     mass: 69.723000
   - symbol: Ga # 153
     coordinates: [  0.2693475300000000,  0.4206245200000000,  0.0314993300000000 ]
     mass: 69.723000
   - symbol: Ga # 154
     coordinates: [  0.7693475300000000,  0.0793754800000000,  0.5314993300000000 ]
     mass: 69.723000
   - symbol: Ga # 155
     coordinates: [  0.2506499900000000,  0.2557527200000000,  0.5002837100000000 ]
     mass: 69.723000
   - symbol: Ga # 156
     coordinates: [  0.7506499900000000,  0.2442472800000000,  0.0002837100000000 ]
     mass: 69.723000
   poscar_order:
   - 1
   - 2
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   - 156

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