Materials id 5476 / Cs4Mg3F10 / Cmce (64)
==============================================================================

- Date page updated: 2018-4-17
- Space group type: Cmce (64) / -C 2bc 2
- Number of formula units (Z): 4
- Phonon raw data: :download:`mp-5476-20180417.tar.lzma <./mp-5476-20180417.tar.lzma>`
- Link to Materials Project: `https://www.materialsproject.org/materials/mp-5476/ <https://www.materialsproject.org/materials/mp-5476/>`_

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

.. image:: mp-5476-band.png

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

.. image:: mp-5476-dos.png

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

Imaginary modes are excluded if they exist.

.. image:: mp-5476-tprops.png

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

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

::

   lattice:
   - [     6.1014434000000000,     0.0000000000000000,     0.0000000000000000 ] # a
   - [     0.0000000000000000,    14.4338130600000003,     0.0000000000000000 ] # b
   - [     0.0000000000000000,     0.0000000000000000,    13.6330098300000007 ] # c
   points:
   - symbol: F  # 1
     coordinates: [  0.2120219600000000,  0.5977488600000000,  0.4604929900000000 ]
     mass: 18.998403
   - symbol: F  # 2
     coordinates: [  0.7120219600000000,  0.9022511400000000,  0.5395070100000000 ]
     mass: 18.998403
   - symbol: F  # 3
     coordinates: [  0.7879780400000000,  0.9022511400000000,  0.9604929900000000 ]
     mass: 18.998403
   - symbol: F  # 4
     coordinates: [  0.2879780400000000,  0.5977488600000000,  0.0395070100000000 ]
     mass: 18.998403
   - symbol: F  # 5
     coordinates: [  0.2879780400000000,  0.9022511400000000,  0.5395070100000000 ]
     mass: 18.998403
   - symbol: F  # 6
     coordinates: [  0.7879780400000000,  0.5977488600000000,  0.4604929900000000 ]
     mass: 18.998403
   - symbol: F  # 7
     coordinates: [  0.7120219600000000,  0.5977488600000000,  0.0395070100000000 ]
     mass: 18.998403
   - symbol: F  # 8
     coordinates: [  0.2120219600000000,  0.9022511400000000,  0.9604929900000000 ]
     mass: 18.998403
   - symbol: F  # 9
     coordinates: [  0.0000000000000000,  0.5255730400000000,  0.6436631700000000 ]
     mass: 18.998403
   - symbol: F  # 10
     coordinates: [  0.5000000000000000,  0.9744269600000000,  0.3563368300000000 ]
     mass: 18.998403
   - symbol: F  # 11
     coordinates: [  0.0000000000000000,  0.9744269600000000,  0.1436631700000000 ]
     mass: 18.998403
   - symbol: F  # 12
     coordinates: [  0.5000000000000000,  0.5255730400000000,  0.8563368300000000 ]
     mass: 18.998403
   - symbol: F  # 13
     coordinates: [  0.5000000000000000,  0.7479937800000001,  0.6475301200000000 ]
     mass: 18.998403
   - symbol: F  # 14
     coordinates: [  0.0000000000000000,  0.7520062199999999,  0.3524698800000000 ]
     mass: 18.998403
   - symbol: F  # 15
     coordinates: [  0.2500000000000000,  0.8877872400000000,  0.7500000000000000 ]
     mass: 18.998403
   - symbol: F  # 16
     coordinates: [  0.7500000000000000,  0.6122127600000000,  0.2500000000000000 ]
     mass: 18.998403
   - symbol: F  # 17
     coordinates: [  0.2500000000000000,  0.6122127600000000,  0.2500000000000000 ]
     mass: 18.998403
   - symbol: F  # 18
     coordinates: [  0.7500000000000000,  0.8877872400000000,  0.7500000000000000 ]
     mass: 18.998403
   - symbol: F  # 19
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   - symbol: F  # 20
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     mass: 18.998403
   - symbol: F  # 21
     coordinates: [  0.7120219600000000,  0.0977488600000000,  0.4604929900000000 ]
     mass: 18.998403
   - symbol: F  # 22
     coordinates: [  0.2120219600000000,  0.4022511400000000,  0.5395070100000000 ]
     mass: 18.998403
   - symbol: F  # 23
     coordinates: [  0.2879780400000000,  0.4022511400000000,  0.9604929900000000 ]
     mass: 18.998403
   - symbol: F  # 24
     coordinates: [  0.7879780400000000,  0.0977488600000000,  0.0395070100000000 ]
     mass: 18.998403
   - symbol: F  # 25
     coordinates: [  0.7879780400000000,  0.4022511400000000,  0.5395070100000000 ]
     mass: 18.998403
   - symbol: F  # 26
     coordinates: [  0.2879780400000000,  0.0977488600000000,  0.4604929900000000 ]
     mass: 18.998403
   - symbol: F  # 27
     coordinates: [  0.2120219600000000,  0.0977488600000000,  0.0395070100000000 ]
     mass: 18.998403
   - symbol: F  # 28
     coordinates: [  0.7120219600000000,  0.4022511400000000,  0.9604929900000000 ]
     mass: 18.998403
   - symbol: F  # 29
     coordinates: [  0.5000000000000000,  0.0255730400000000,  0.6436631700000000 ]
     mass: 18.998403
   - symbol: F  # 30
     coordinates: [  0.0000000000000000,  0.4744269600000000,  0.3563368300000000 ]
     mass: 18.998403
   - symbol: F  # 31
     coordinates: [  0.5000000000000000,  0.4744269600000000,  0.1436631700000000 ]
     mass: 18.998403
   - symbol: F  # 32
     coordinates: [  0.0000000000000000,  0.0255730400000000,  0.8563368300000000 ]
     mass: 18.998403
   - symbol: F  # 33
     coordinates: [  0.0000000000000000,  0.2479937800000000,  0.6475301200000000 ]
     mass: 18.998403
   - symbol: F  # 34
     coordinates: [  0.5000000000000000,  0.2520062200000000,  0.3524698800000000 ]
     mass: 18.998403
   - symbol: F  # 35
     coordinates: [  0.7500000000000000,  0.3877872400000000,  0.7500000000000000 ]
     mass: 18.998403
   - symbol: F  # 36
     coordinates: [  0.2500000000000000,  0.1122127600000000,  0.2500000000000000 ]
     mass: 18.998403
   - symbol: F  # 37
     coordinates: [  0.7500000000000000,  0.1122127600000000,  0.2500000000000000 ]
     mass: 18.998403
   - symbol: F  # 38
     coordinates: [  0.2500000000000000,  0.3877872400000000,  0.7500000000000000 ]
     mass: 18.998403
   - symbol: F  # 39
     coordinates: [  0.5000000000000000,  0.2479937800000000,  0.8524698800000000 ]
     mass: 18.998403
   - symbol: F  # 40
     coordinates: [  0.0000000000000000,  0.2520062200000000,  0.1475301200000000 ]
     mass: 18.998403
   - symbol: Mg # 41
     coordinates: [  0.5000000000000000,  0.8809195900000000,  0.6569367699999999 ]
     mass: 24.305000
   - symbol: Mg # 42
     coordinates: [  0.0000000000000000,  0.6190804100000000,  0.3430632300000000 ]
     mass: 24.305000
   - symbol: Mg # 43
     coordinates: [  0.5000000000000000,  0.6190804100000000,  0.1569367700000000 ]
     mass: 24.305000
   - symbol: Mg # 44
     coordinates: [  0.0000000000000000,  0.8809195900000000,  0.8430632300000001 ]
     mass: 24.305000
   - symbol: Mg # 45
     coordinates: [  0.0000000000000000,  0.5000000000000000,  0.5000000000000000 ]
     mass: 24.305000
   - symbol: Mg # 46
     coordinates: [  0.5000000000000000,  0.5000000000000000,  0.0000000000000000 ]
     mass: 24.305000
   - symbol: Mg # 47
     coordinates: [  0.0000000000000000,  0.3809195900000000,  0.6569367699999999 ]
     mass: 24.305000
   - symbol: Mg # 48
     coordinates: [  0.5000000000000000,  0.1190804100000000,  0.3430632300000000 ]
     mass: 24.305000
   - symbol: Mg # 49
     coordinates: [  0.0000000000000000,  0.1190804100000000,  0.1569367700000000 ]
     mass: 24.305000
   - symbol: Mg # 50
     coordinates: [  0.5000000000000000,  0.3809195900000000,  0.8430632300000001 ]
     mass: 24.305000
   - symbol: Mg # 51
     coordinates: [  0.5000000000000000,  0.0000000000000000,  0.5000000000000000 ]
     mass: 24.305000
   - symbol: Mg # 52
     coordinates: [  0.0000000000000000,  0.0000000000000000,  0.0000000000000000 ]
     mass: 24.305000
   - symbol: Cs # 53
     coordinates: [  0.0000000000000000,  0.7450684000000000,  0.6069148800000000 ]
     mass: 132.905452
   - symbol: Cs # 54
     coordinates: [  0.5000000000000000,  0.7549316000000000,  0.3930851200000000 ]
     mass: 132.905452
   - symbol: Cs # 55
     coordinates: [  0.0000000000000000,  0.7549316000000000,  0.1069148800000000 ]
     mass: 132.905452
   - symbol: Cs # 56
     coordinates: [  0.5000000000000000,  0.7450684000000000,  0.8930851200000000 ]
     mass: 132.905452
   - symbol: Cs # 57
     coordinates: [  0.5000000000000000,  0.5483906600000000,  0.6387869700000000 ]
     mass: 132.905452
   - symbol: Cs # 58
     coordinates: [  0.0000000000000000,  0.9516093400000000,  0.3612130300000000 ]
     mass: 132.905452
   - symbol: Cs # 59
     coordinates: [  0.5000000000000000,  0.9516093400000000,  0.1387869700000000 ]
     mass: 132.905452
   - symbol: Cs # 60
     coordinates: [  0.0000000000000000,  0.5483906600000000,  0.8612130300000000 ]
     mass: 132.905452
   - symbol: Cs # 61
     coordinates: [  0.5000000000000000,  0.2450684000000000,  0.6069148800000000 ]
     mass: 132.905452
   - symbol: Cs # 62
     coordinates: [  0.0000000000000000,  0.2549316000000000,  0.3930851200000000 ]
     mass: 132.905452
   - symbol: Cs # 63
     coordinates: [  0.5000000000000000,  0.2549316000000000,  0.1069148800000000 ]
     mass: 132.905452
   - symbol: Cs # 64
     coordinates: [  0.0000000000000000,  0.2450684000000000,  0.8930851200000000 ]
     mass: 132.905452
   - symbol: Cs # 65
     coordinates: [  0.0000000000000000,  0.0483906600000000,  0.6387869700000000 ]
     mass: 132.905452
   - symbol: Cs # 66
     coordinates: [  0.5000000000000000,  0.4516093400000000,  0.3612130300000000 ]
     mass: 132.905452
   - symbol: Cs # 67
     coordinates: [  0.0000000000000000,  0.4516093400000000,  0.1387869700000000 ]
     mass: 132.905452
   - symbol: Cs # 68
     coordinates: [  0.5000000000000000,  0.0483906600000000,  0.8612130300000000 ]
     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
   - 49
   - 50
   - 51
   - 52
   - 53
   - 54
   - 55
   - 56
   - 57
   - 58
   - 59
   - 60
   - 61
   - 62
   - 63
   - 64
   - 65
   - 66
   - 67
   - 68

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