Materials id 14364 / Cs2LiAsO4 / Cmc2_1 (36)
==============================================================================

- Date page updated: 2018-4-17
- Space group type: Cmc2_1 (36) / C 2c -2
- Number of formula units (Z): 4
- Phonon raw data: :download:`mp-14364-20180417.tar.lzma <./mp-14364-20180417.tar.lzma>`
- Link to Materials Project: `https://www.materialsproject.org/materials/mp-14364/ <https://www.materialsproject.org/materials/mp-14364/>`_

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

.. image:: mp-14364-band.png

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

.. image:: mp-14364-dos.png

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

Imaginary modes are excluded if they exist.

.. image:: mp-14364-tprops.png

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

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

::

   lattice:
   - [     5.9423504999999999,     0.0000000000000000,     0.0000000000000000 ] # a
   - [     0.0000000000000000,    12.1484952600000007,     0.0000000000000000 ] # b
   - [     0.0000000000000000,     0.0000000000000000,     8.1327880500000003 ] # c
   points:
   - symbol: Li # 1
     coordinates: [  0.0000000000000000,  0.7940849100000000,  0.7683120600000000 ]
     mass: 6.941000
   - symbol: Li # 2
     coordinates: [  0.5000000000000000,  0.7059150900000000,  0.2683120600000000 ]
     mass: 6.941000
   - symbol: Li # 3
     coordinates: [  0.5000000000000000,  0.2940849100000000,  0.7683120600000000 ]
     mass: 6.941000
   - symbol: Li # 4
     coordinates: [  0.0000000000000000,  0.2059150900000000,  0.2683120600000000 ]
     mass: 6.941000
   - symbol: O  # 5
     coordinates: [  0.7660828800000000,  0.6565669600000000,  0.1593859000000000 ]
     mass: 15.999400
   - symbol: O  # 6
     coordinates: [  0.7339171200000000,  0.8434330400000000,  0.6593859000000000 ]
     mass: 15.999400
   - symbol: O  # 7
     coordinates: [  0.0000000000000000,  0.6370010699999999,  0.8631668500000000 ]
     mass: 15.999400
   - symbol: O  # 8
     coordinates: [  0.5000000000000000,  0.8629989300000001,  0.3631668500000000 ]
     mass: 15.999400
   - symbol: O  # 9
     coordinates: [  0.2339171200000000,  0.6565669600000000,  0.1593859000000000 ]
     mass: 15.999400
   - symbol: O  # 10
     coordinates: [  0.2660828800000000,  0.8434330400000000,  0.6593859000000000 ]
     mass: 15.999400
   - symbol: O  # 11
     coordinates: [  0.5000000000000000,  0.6659176999999999,  0.5138175699999999 ]
     mass: 15.999400
   - symbol: O  # 12
     coordinates: [  0.0000000000000000,  0.8340823000000001,  0.0138175700000000 ]
     mass: 15.999400
   - symbol: O  # 13
     coordinates: [  0.2660828800000000,  0.1565669600000000,  0.1593859000000000 ]
     mass: 15.999400
   - symbol: O  # 14
     coordinates: [  0.2339171200000000,  0.3434330400000000,  0.6593859000000000 ]
     mass: 15.999400
   - symbol: O  # 15
     coordinates: [  0.5000000000000000,  0.1370010700000000,  0.8631668500000000 ]
     mass: 15.999400
   - symbol: O  # 16
     coordinates: [  0.0000000000000000,  0.3629989300000000,  0.3631668500000000 ]
     mass: 15.999400
   - symbol: O  # 17
     coordinates: [  0.7339171200000000,  0.1565669600000000,  0.1593859000000000 ]
     mass: 15.999400
   - symbol: O  # 18
     coordinates: [  0.7660828800000000,  0.3434330400000000,  0.6593859000000000 ]
     mass: 15.999400
   - symbol: O  # 19
     coordinates: [  0.0000000000000000,  0.1659177000000000,  0.5138175699999999 ]
     mass: 15.999400
   - symbol: O  # 20
     coordinates: [  0.5000000000000000,  0.3340823000000000,  0.0138175700000000 ]
     mass: 15.999400
   - symbol: As # 21
     coordinates: [  0.0000000000000000,  0.6957255600000000,  0.0543783300000000 ]
     mass: 74.921600
   - symbol: As # 22
     coordinates: [  0.5000000000000000,  0.8042744400000000,  0.5543783300000000 ]
     mass: 74.921600
   - symbol: As # 23
     coordinates: [  0.5000000000000000,  0.1957255600000000,  0.0543783300000000 ]
     mass: 74.921600
   - symbol: As # 24
     coordinates: [  0.0000000000000000,  0.3042744400000000,  0.5543783300000000 ]
     mass: 74.921600
   - symbol: Cs # 25
     coordinates: [  0.5000000000000000,  0.5647677200000000,  0.8524307900000000 ]
     mass: 132.905452
   - symbol: Cs # 26
     coordinates: [  0.0000000000000000,  0.9352322800000000,  0.3524307900000000 ]
     mass: 132.905452
   - symbol: Cs # 27
     coordinates: [  0.0000000000000000,  0.6044382600000000,  0.4976226300000000 ]
     mass: 132.905452
   - symbol: Cs # 28
     coordinates: [  0.5000000000000000,  0.8955617400000000,  0.9976226300000000 ]
     mass: 132.905452
   - symbol: Cs # 29
     coordinates: [  0.0000000000000000,  0.0647677200000000,  0.8524307900000000 ]
     mass: 132.905452
   - symbol: Cs # 30
     coordinates: [  0.5000000000000000,  0.4352322800000000,  0.3524307900000000 ]
     mass: 132.905452
   - symbol: Cs # 31
     coordinates: [  0.5000000000000000,  0.1044382600000000,  0.4976226300000000 ]
     mass: 132.905452
   - symbol: Cs # 32
     coordinates: [  0.0000000000000000,  0.3955617400000000,  0.9976226300000000 ]
     mass: 132.905452
   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
   - 29
   - 30
   - 31
   - 32

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