Materials id 16543 / Cs3Cu5O4 / P2_1/c (14)
==============================================================================

- Date page updated: 2018-4-17
- Space group type: P2_1/c (14) / -P 2ybc
- Number of formula units (Z): 4
- Phonon raw data: :download:`mp-16543-20180417.tar.lzma <./mp-16543-20180417.tar.lzma>`
- Link to Materials Project: `https://www.materialsproject.org/materials/mp-16543/ <https://www.materialsproject.org/materials/mp-16543/>`_

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

.. image:: mp-16543-band.png

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

.. image:: mp-16543-dos.png

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

Imaginary modes are excluded if they exist.

.. image:: mp-16543-tprops.png

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

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

::

   lattice:
   - [    10.2824308999999996,     0.0000000000000000,    -0.0031010700000000 ] # a
   - [     0.0000000000000000,     7.3202885899999997,     0.0000000000000000 ] # b
   - [    -4.1131308799999999,     0.0000000000000000,    13.9135982200000008 ] # c
   points:
   - symbol: O  # 1
     coordinates: [  0.6020724400000000,  0.5724476400000000,  0.3947733400000000 ]
     mass: 15.999400
   - symbol: O  # 2
     coordinates: [  0.3979275600000000,  0.0724476400000000,  0.1052266600000000 ]
     mass: 15.999400
   - symbol: O  # 3
     coordinates: [  0.3979275600000000,  0.4275523600000000,  0.6052266600000000 ]
     mass: 15.999400
   - symbol: O  # 4
     coordinates: [  0.6020724400000000,  0.9275523600000000,  0.8947733400000000 ]
     mass: 15.999400
   - symbol: O  # 5
     coordinates: [  0.9941341400000000,  0.7026576600000000,  0.6129516400000000 ]
     mass: 15.999400
   - symbol: O  # 6
     coordinates: [  0.0058658600000000,  0.2026576600000000,  0.8870483600000000 ]
     mass: 15.999400
   - symbol: O  # 7
     coordinates: [  0.0058658600000000,  0.2973423400000000,  0.3870483600000000 ]
     mass: 15.999400
   - symbol: O  # 8
     coordinates: [  0.9941341400000000,  0.7973423400000000,  0.1129516400000000 ]
     mass: 15.999400
   - symbol: O  # 9
     coordinates: [  0.8629466400000000,  0.1602646900000000,  0.6284186000000000 ]
     mass: 15.999400
   - symbol: O  # 10
     coordinates: [  0.1370533600000000,  0.6602646900000000,  0.8715814000000000 ]
     mass: 15.999400
   - symbol: O  # 11
     coordinates: [  0.1370533600000000,  0.8397353100000000,  0.3715814000000000 ]
     mass: 15.999400
   - symbol: O  # 12
     coordinates: [  0.8629466400000000,  0.3397353100000000,  0.1284186000000000 ]
     mass: 15.999400
   - symbol: O  # 13
     coordinates: [  0.4604165000000000,  0.4679726500000000,  0.8636074100000000 ]
     mass: 15.999400
   - symbol: O  # 14
     coordinates: [  0.5395835000000000,  0.9679726500000000,  0.6363925900000000 ]
     mass: 15.999400
   - symbol: O  # 15
     coordinates: [  0.5395835000000000,  0.5320273500000000,  0.1363925900000000 ]
     mass: 15.999400
   - symbol: O  # 16
     coordinates: [  0.4604165000000000,  0.0320273500000000,  0.3636074100000000 ]
     mass: 15.999400
   - symbol: Cu # 17
     coordinates: [  0.9310760600000000,  0.9274855000000000,  0.6266587500000000 ]
     mass: 63.546000
   - symbol: Cu # 18
     coordinates: [  0.5707709600000000,  0.9523615300000000,  0.7662041800000000 ]
     mass: 63.546000
   - symbol: Cu # 19
     coordinates: [  0.4292290400000000,  0.0476384700000000,  0.2337958200000000 ]
     mass: 63.546000
   - symbol: Cu # 20
     coordinates: [  0.5707709600000000,  0.5476384700000000,  0.2662041800000000 ]
     mass: 63.546000
   - symbol: Cu # 21
     coordinates: [  0.9350239800000000,  0.3190122800000000,  0.2589816000000000 ]
     mass: 63.546000
   - symbol: Cu # 22
     coordinates: [  0.0649760200000000,  0.8190122800000000,  0.2410184000000000 ]
     mass: 63.546000
   - symbol: Cu # 23
     coordinates: [  0.0649760200000000,  0.6809877200000000,  0.7410184000000000 ]
     mass: 63.546000
   - symbol: Cu # 24
     coordinates: [  0.9350239800000000,  0.1809877200000000,  0.7589816000000000 ]
     mass: 63.546000
   - symbol: Cu # 25
     coordinates: [  0.4703142600000000,  0.2011367400000000,  0.6249360100000000 ]
     mass: 63.546000
   - symbol: Cu # 26
     coordinates: [  0.5296857400000000,  0.7011367400000000,  0.8750639900000000 ]
     mass: 63.546000
   - symbol: Cu # 27
     coordinates: [  0.5296857400000000,  0.7988632600000000,  0.3750639900000000 ]
     mass: 63.546000
   - symbol: Cu # 28
     coordinates: [  0.4703142600000000,  0.2988632600000000,  0.1249360100000000 ]
     mass: 63.546000
   - symbol: Cu # 29
     coordinates: [  0.7045659300000000,  0.0644332800000000,  0.6411330100000000 ]
     mass: 63.546000
   - symbol: Cu # 30
     coordinates: [  0.2954340700000000,  0.5644332800000000,  0.8588669900000000 ]
     mass: 63.546000
   - symbol: Cu # 31
     coordinates: [  0.2954340700000000,  0.9355667200000000,  0.3588669900000000 ]
     mass: 63.546000
   - symbol: Cu # 32
     coordinates: [  0.7045659300000000,  0.4355667200000000,  0.1411330100000000 ]
     mass: 63.546000
   - symbol: Cu # 33
     coordinates: [  0.0689239400000000,  0.0725145000000000,  0.3733412500000000 ]
     mass: 63.546000
   - symbol: Cu # 34
     coordinates: [  0.9310760600000000,  0.5725145000000000,  0.1266587500000000 ]
     mass: 63.546000
   - symbol: Cu # 35
     coordinates: [  0.4292290400000000,  0.4523615300000000,  0.7337958200000000 ]
     mass: 63.546000
   - symbol: Cu # 36
     coordinates: [  0.0689239400000000,  0.4274855000000000,  0.8733412500000000 ]
     mass: 63.546000
   - symbol: Cs # 37
     coordinates: [  0.6803264000000000,  0.9154778900000000,  0.1098361300000000 ]
     mass: 132.905452
   - symbol: Cs # 38
     coordinates: [  0.3196736000000000,  0.4154778900000000,  0.3901638700000000 ]
     mass: 132.905452
   - symbol: Cs # 39
     coordinates: [  0.3196736000000000,  0.0845221100000000,  0.8901638700000000 ]
     mass: 132.905452
   - symbol: Cs # 40
     coordinates: [  0.6803264000000000,  0.5845221100000000,  0.6098361300000000 ]
     mass: 132.905452
   - symbol: Cs # 41
     coordinates: [  0.7260157100000000,  0.2988655500000000,  0.9153155600000000 ]
     mass: 132.905452
   - symbol: Cs # 42
     coordinates: [  0.2739842900000000,  0.7988655500000000,  0.5846844400000000 ]
     mass: 132.905452
   - symbol: Cs # 43
     coordinates: [  0.2739842900000000,  0.7011344500000000,  0.0846844400000000 ]
     mass: 132.905452
   - symbol: Cs # 44
     coordinates: [  0.7260157100000000,  0.2011344500000000,  0.4153155600000000 ]
     mass: 132.905452
   - symbol: Cs # 45
     coordinates: [  0.8938282300000000,  0.8276799800000000,  0.9050301600000000 ]
     mass: 132.905452
   - symbol: Cs # 46
     coordinates: [  0.1061717700000000,  0.3276799800000000,  0.5949698400000000 ]
     mass: 132.905452
   - symbol: Cs # 47
     coordinates: [  0.1061717700000000,  0.1723200200000000,  0.0949698400000000 ]
     mass: 132.905452
   - symbol: Cs # 48
     coordinates: [  0.8938282300000000,  0.6723200200000000,  0.4050301600000000 ]
     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
   - 33
   - 34
   - 35
   - 36
   - 37
   - 38
   - 39
   - 40
   - 41
   - 42
   - 43
   - 44
   - 45
   - 46
   - 47
   - 48

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