Materials id 17361 / Cs2WS4 / Pnma (62)
==============================================================================

- Date page updated: 2018-4-17
- Space group type: Pnma (62) / -P 2ac 2n
- Number of formula units (Z): 4
- Phonon raw data: :download:`mp-17361-20180417.tar.lzma <./mp-17361-20180417.tar.lzma>`
- Link to Materials Project: `https://www.materialsproject.org/materials/mp-17361/ <https://www.materialsproject.org/materials/mp-17361/>`_

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

.. image:: mp-17361-band.png

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

.. image:: mp-17361-dos.png

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

Imaginary modes are excluded if they exist.

.. image:: mp-17361-tprops.png

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

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

::

   lattice:
   - [    10.0648863800000008,     0.0000000000000000,     0.0000000000000000 ] # a
   - [     0.0000000000000000,     7.1502608199999997,     0.0000000000000000 ] # b
   - [     0.0000000000000000,     0.0000000000000000,    12.6888413300000007 ] # c
   points:
   - symbol: S  # 1
     coordinates: [  0.8365443500000000,  0.9993692100000000,  0.8518560500000000 ]
     mass: 32.065000
   - symbol: S  # 2
     coordinates: [  0.1634556500000000,  0.4993692100000000,  0.1481439500000000 ]
     mass: 32.065000
   - symbol: S  # 3
     coordinates: [  0.3365443500000000,  0.5006307900000000,  0.6481439500000000 ]
     mass: 32.065000
   - symbol: S  # 4
     coordinates: [  0.6634556500000000,  0.0006307900000000,  0.3518560500000000 ]
     mass: 32.065000
   - symbol: S  # 5
     coordinates: [  0.1634556500000000,  0.0006307900000000,  0.1481439500000000 ]
     mass: 32.065000
   - symbol: S  # 6
     coordinates: [  0.8365443500000000,  0.5006307900000000,  0.8518560500000000 ]
     mass: 32.065000
   - symbol: S  # 7
     coordinates: [  0.6634556500000000,  0.4993692100000000,  0.3518560500000000 ]
     mass: 32.065000
   - symbol: S  # 8
     coordinates: [  0.3365443500000000,  0.9993692100000000,  0.6481439500000000 ]
     mass: 32.065000
   - symbol: S  # 9
     coordinates: [  0.4680661600000000,  0.2500000000000000,  0.1066992000000000 ]
     mass: 32.065000
   - symbol: S  # 10
     coordinates: [  0.5319338400000000,  0.7500000000000000,  0.8933008000000000 ]
     mass: 32.065000
   - symbol: S  # 11
     coordinates: [  0.9680661600000000,  0.2500000000000000,  0.3933008000000000 ]
     mass: 32.065000
   - symbol: S  # 12
     coordinates: [  0.0319338400000000,  0.7500000000000000,  0.6066992000000000 ]
     mass: 32.065000
   - symbol: S  # 13
     coordinates: [  0.2878962900000000,  0.7500000000000000,  0.4077592000000000 ]
     mass: 32.065000
   - symbol: S  # 14
     coordinates: [  0.7121037099999999,  0.2500000000000000,  0.5922408000000000 ]
     mass: 32.065000
   - symbol: S  # 15
     coordinates: [  0.7878962900000001,  0.7500000000000000,  0.0922408000000000 ]
     mass: 32.065000
   - symbol: S  # 16
     coordinates: [  0.2121037100000000,  0.2500000000000000,  0.9077592000000000 ]
     mass: 32.065000
   - symbol: Cs # 17
     coordinates: [  0.3448962500000000,  0.2500000000000000,  0.3970314500000000 ]
     mass: 132.905452
   - symbol: Cs # 18
     coordinates: [  0.6551037500000000,  0.7500000000000000,  0.6029685500000000 ]
     mass: 132.905452
   - symbol: Cs # 19
     coordinates: [  0.8448962500000000,  0.2500000000000000,  0.1029685500000000 ]
     mass: 132.905452
   - symbol: Cs # 20
     coordinates: [  0.1551037500000000,  0.7500000000000000,  0.8970314500000000 ]
     mass: 132.905452
   - symbol: Cs # 21
     coordinates: [  0.0368423600000000,  0.2500000000000000,  0.6686376000000001 ]
     mass: 132.905452
   - symbol: Cs # 22
     coordinates: [  0.9631576400000000,  0.7500000000000000,  0.3313624000000000 ]
     mass: 132.905452
   - symbol: Cs # 23
     coordinates: [  0.5368423600000000,  0.2500000000000000,  0.8313623999999999 ]
     mass: 132.905452
   - symbol: Cs # 24
     coordinates: [  0.4631576400000000,  0.7500000000000000,  0.1686376000000000 ]
     mass: 132.905452
   - symbol: W  # 25
     coordinates: [  0.2527414700000000,  0.2500000000000000,  0.0775139200000000 ]
     mass: 183.840000
   - symbol: W  # 26
     coordinates: [  0.7472585300000000,  0.7500000000000000,  0.9224860800000000 ]
     mass: 183.840000
   - symbol: W  # 27
     coordinates: [  0.7527414700000000,  0.2500000000000000,  0.4224860800000000 ]
     mass: 183.840000
   - symbol: W  # 28
     coordinates: [  0.2472585300000000,  0.7500000000000000,  0.5775139200000000 ]
     mass: 183.840000
   poscar_order:
   - 1
   - 2
   - 3
   - 4
   - 5
   - 6
   - 7
   - 8
   - 9
   - 10
   - 11
   - 12
   - 13
   - 14
   - 15
   - 16
   - 17
   - 18
   - 19
   - 20
   - 21
   - 22
   - 23
   - 24
   - 25
   - 26
   - 27
   - 28

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