Materials id 6182 / Tb2CsCu3Se5 / Cmcm (63)
==============================================================================

- Date page updated: 2018-4-17
- Space group type: Cmcm (63) / -C 2c 2
- Number of formula units (Z): 4
- Phonon raw data: :download:`mp-6182-20180417.tar.lzma <./mp-6182-20180417.tar.lzma>`
- Link to Materials Project: `https://www.materialsproject.org/materials/mp-6182/ <https://www.materialsproject.org/materials/mp-6182/>`_

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

.. image:: mp-6182-band.png

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

.. image:: mp-6182-dos.png

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

Imaginary modes are excluded if they exist.

.. image:: mp-6182-tprops.png

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

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

::

   lattice:
   - [     4.0764328399999998,     0.0000000000000000,     0.0000000000000000 ] # a
   - [     0.0000000000000000,    14.3740277100000000,     0.0000000000000000 ] # b
   - [     0.0000000000000000,     0.0000000000000000,    17.1112963600000008 ] # c
   points:
   - symbol: Cu # 1
     coordinates: [  0.0000000000000000,  0.4147718500000000,  0.5287216200000000 ]
     mass: 63.546000
   - symbol: Cu # 2
     coordinates: [  0.5000000000000000,  0.0852281500000000,  0.4712783800000000 ]
     mass: 63.546000
   - symbol: Cu # 3
     coordinates: [  0.5000000000000000,  0.1573429000000000,  0.7500000000000000 ]
     mass: 63.546000
   - symbol: Cu # 4
     coordinates: [  0.0000000000000000,  0.3426571000000000,  0.2500000000000000 ]
     mass: 63.546000
   - symbol: Cu # 5
     coordinates: [  0.0000000000000000,  0.4147718500000000,  0.9712783800000000 ]
     mass: 63.546000
   - symbol: Cu # 6
     coordinates: [  0.5000000000000000,  0.0852281500000000,  0.0287216200000000 ]
     mass: 63.546000
   - symbol: Cu # 7
     coordinates: [  0.5000000000000000,  0.9147718500000001,  0.5287216200000000 ]
     mass: 63.546000
   - symbol: Cu # 8
     coordinates: [  0.0000000000000000,  0.5852281499999999,  0.4712783800000000 ]
     mass: 63.546000
   - symbol: Cu # 9
     coordinates: [  0.0000000000000000,  0.6573429000000000,  0.7500000000000000 ]
     mass: 63.546000
   - symbol: Cu # 10
     coordinates: [  0.5000000000000000,  0.8426571000000000,  0.2500000000000000 ]
     mass: 63.546000
   - symbol: Cu # 11
     coordinates: [  0.5000000000000000,  0.9147718500000001,  0.9712783800000000 ]
     mass: 63.546000
   - symbol: Cu # 12
     coordinates: [  0.0000000000000000,  0.5852281499999999,  0.0287216200000000 ]
     mass: 63.546000
   - symbol: Se # 13
     coordinates: [  0.5000000000000000,  0.0587419600000000,  0.8862996500000000 ]
     mass: 78.960000
   - symbol: Se # 14
     coordinates: [  0.0000000000000000,  0.1654293400000000,  0.0710632300000000 ]
     mass: 78.960000
   - symbol: Se # 15
     coordinates: [  0.5000000000000000,  0.0587419600000000,  0.6137003500000000 ]
     mass: 78.960000
   - symbol: Se # 16
     coordinates: [  0.5000000000000000,  0.3345706600000000,  0.5710632300000000 ]
     mass: 78.960000
   - symbol: Se # 17
     coordinates: [  0.0000000000000000,  0.1654293400000000,  0.4289367700000000 ]
     mass: 78.960000
   - symbol: Se # 18
     coordinates: [  0.5000000000000000,  0.3345706600000000,  0.9289367700000000 ]
     mass: 78.960000
   - symbol: Se # 19
     coordinates: [  0.0000000000000000,  0.2403401400000000,  0.7500000000000000 ]
     mass: 78.960000
   - symbol: Se # 20
     coordinates: [  0.5000000000000000,  0.2596598600000000,  0.2500000000000000 ]
     mass: 78.960000
   - symbol: Se # 21
     coordinates: [  0.0000000000000000,  0.4412580400000000,  0.3862996500000000 ]
     mass: 78.960000
   - symbol: Se # 22
     coordinates: [  0.0000000000000000,  0.4412580400000000,  0.1137003500000000 ]
     mass: 78.960000
   - symbol: Se # 23
     coordinates: [  0.0000000000000000,  0.5587419600000000,  0.8862996500000000 ]
     mass: 78.960000
   - symbol: Se # 24
     coordinates: [  0.5000000000000000,  0.6654293400000000,  0.0710632300000000 ]
     mass: 78.960000
   - symbol: Se # 25
     coordinates: [  0.0000000000000000,  0.5587419600000000,  0.6137003500000000 ]
     mass: 78.960000
   - symbol: Se # 26
     coordinates: [  0.0000000000000000,  0.8345706600000000,  0.5710632300000000 ]
     mass: 78.960000
   - symbol: Se # 27
     coordinates: [  0.5000000000000000,  0.6654293400000000,  0.4289367700000000 ]
     mass: 78.960000
   - symbol: Se # 28
     coordinates: [  0.0000000000000000,  0.8345706600000000,  0.9289367700000000 ]
     mass: 78.960000
   - symbol: Se # 29
     coordinates: [  0.5000000000000000,  0.7403401400000000,  0.7500000000000000 ]
     mass: 78.960000
   - symbol: Se # 30
     coordinates: [  0.0000000000000000,  0.7596598600000000,  0.2500000000000000 ]
     mass: 78.960000
   - symbol: Se # 31
     coordinates: [  0.5000000000000000,  0.9412580400000000,  0.3862996500000000 ]
     mass: 78.960000
   - symbol: Se # 32
     coordinates: [  0.5000000000000000,  0.9412580400000000,  0.1137003500000000 ]
     mass: 78.960000
   - symbol: Cs # 33
     coordinates: [  0.0000000000000000,  0.0601606200000000,  0.2500000000000000 ]
     mass: 132.905452
   - symbol: Cs # 34
     coordinates: [  0.5000000000000000,  0.4398393800000000,  0.7500000000000000 ]
     mass: 132.905452
   - symbol: Cs # 35
     coordinates: [  0.5000000000000000,  0.5601606200000000,  0.2500000000000000 ]
     mass: 132.905452
   - symbol: Cs # 36
     coordinates: [  0.0000000000000000,  0.9398393800000000,  0.7500000000000000 ]
     mass: 132.905452
   - symbol: Tb # 37
     coordinates: [  0.5000000000000000,  0.3071160900000000,  0.4086244200000000 ]
     mass: 158.925350
   - symbol: Tb # 38
     coordinates: [  0.5000000000000000,  0.3071160900000000,  0.0913755800000000 ]
     mass: 158.925350
   - symbol: Tb # 39
     coordinates: [  0.0000000000000000,  0.1928839100000000,  0.5913755800000000 ]
     mass: 158.925350
   - symbol: Tb # 40
     coordinates: [  0.0000000000000000,  0.1928839100000000,  0.9086244200000000 ]
     mass: 158.925350
   - symbol: Tb # 41
     coordinates: [  0.0000000000000000,  0.8071160900000000,  0.4086244200000000 ]
     mass: 158.925350
   - symbol: Tb # 42
     coordinates: [  0.0000000000000000,  0.8071160900000000,  0.0913755800000000 ]
     mass: 158.925350
   - symbol: Tb # 43
     coordinates: [  0.5000000000000000,  0.6928839100000000,  0.5913755800000000 ]
     mass: 158.925350
   - symbol: Tb # 44
     coordinates: [  0.5000000000000000,  0.6928839100000000,  0.9086244200000000 ]
     mass: 158.925350
   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
   - 33
   - 34
   - 35
   - 36
   - 37
   - 38
   - 39
   - 40
   - 41
   - 42
   - 43
   - 44

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