Materials id 8333 / RbNaSnF6 / Pbcn (60)
==============================================================================

- Date page updated: 2018-4-17
- Space group type: Pbcn (60) / -P 2n 2ab
- Number of formula units (Z): 8
- Phonon raw data: :download:`mp-8333-20180417.tar.lzma <./mp-8333-20180417.tar.lzma>`
- Link to Materials Project: `https://www.materialsproject.org/materials/mp-8333/ <https://www.materialsproject.org/materials/mp-8333/>`_

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

.. image:: mp-8333-band.png

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

.. image:: mp-8333-dos.png

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

Imaginary modes are excluded if they exist.

.. image:: mp-8333-tprops.png

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

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

::

   lattice:
   - [     8.1873264599999995,     0.0000000000000000,     0.0000000000000000 ] # a
   - [     0.0000000000000000,    13.1849201699999998,     0.0000000000000000 ] # b
   - [     0.0000000000000000,     0.0000000000000000,    10.9479483299999991 ] # c
   points:
   - symbol: F  # 1
     coordinates: [  0.2083546400000000,  0.7213293500000000,  0.3772601600000000 ]
     mass: 18.998403
   - symbol: F  # 2
     coordinates: [  0.7083546400000000,  0.7786706500000000,  0.6227398400000000 ]
     mass: 18.998403
   - symbol: F  # 3
     coordinates: [  0.2916453600000000,  0.7786706500000000,  0.8772601600000000 ]
     mass: 18.998403
   - symbol: F  # 4
     coordinates: [  0.7916453600000000,  0.7213293500000000,  0.1227398400000000 ]
     mass: 18.998403
   - symbol: F  # 5
     coordinates: [  0.7916453600000000,  0.2786706500000000,  0.6227398400000000 ]
     mass: 18.998403
   - symbol: F  # 6
     coordinates: [  0.2916453600000000,  0.2213293500000000,  0.3772601600000000 ]
     mass: 18.998403
   - symbol: F  # 7
     coordinates: [  0.7083546400000000,  0.2213293500000000,  0.1227398400000000 ]
     mass: 18.998403
   - symbol: F  # 8
     coordinates: [  0.2083546400000000,  0.2786706500000000,  0.8772601600000000 ]
     mass: 18.998403
   - symbol: F  # 9
     coordinates: [  0.3158312000000000,  0.0016320300000000,  0.4817138300000000 ]
     mass: 18.998403
   - symbol: F  # 10
     coordinates: [  0.8158312000000000,  0.4983679700000000,  0.5182861700000000 ]
     mass: 18.998403
   - symbol: F  # 11
     coordinates: [  0.1841688000000000,  0.4983679700000000,  0.9817138300000000 ]
     mass: 18.998403
   - symbol: F  # 12
     coordinates: [  0.6841688000000000,  0.0016320300000000,  0.0182861700000000 ]
     mass: 18.998403
   - symbol: F  # 13
     coordinates: [  0.6841688000000000,  0.9983679700000000,  0.5182861700000000 ]
     mass: 18.998403
   - symbol: F  # 14
     coordinates: [  0.1841688000000000,  0.5016320300000000,  0.4817138300000000 ]
     mass: 18.998403
   - symbol: F  # 15
     coordinates: [  0.8158312000000000,  0.5016320300000000,  0.0182861700000000 ]
     mass: 18.998403
   - symbol: F  # 16
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     mass: 18.998403
   - symbol: F  # 17
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     mass: 18.998403
   - symbol: F  # 18
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   - symbol: F  # 21
     coordinates: [  0.5177376400000000,  0.1616371000000000,  0.6183053700000000 ]
     mass: 18.998403
   - symbol: F  # 22
     coordinates: [  0.0177376400000000,  0.3383629000000000,  0.3816946300000000 ]
     mass: 18.998403
   - symbol: F  # 23
     coordinates: [  0.9822623600000000,  0.3383629000000000,  0.1183053700000000 ]
     mass: 18.998403
   - symbol: F  # 24
     coordinates: [  0.4822623600000000,  0.1616371000000000,  0.8816946300000000 ]
     mass: 18.998403
   - symbol: F  # 25
     coordinates: [  0.2905541300000000,  0.4253424400000000,  0.2634105800000000 ]
     mass: 18.998403
   - symbol: F  # 26
     coordinates: [  0.7905541300000000,  0.0746575600000000,  0.7365894200000001 ]
     mass: 18.998403
   - symbol: F  # 27
     coordinates: [  0.2094458700000000,  0.0746575600000000,  0.7634105799999999 ]
     mass: 18.998403
   - symbol: F  # 28
     coordinates: [  0.7094458700000000,  0.4253424400000000,  0.2365894200000000 ]
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   - symbol: F  # 29
     coordinates: [  0.7094458700000000,  0.5746575600000000,  0.7365894200000001 ]
     mass: 18.998403
   - symbol: F  # 30
     coordinates: [  0.2094458700000000,  0.9253424400000000,  0.2634105800000000 ]
     mass: 18.998403
   - symbol: F  # 31
     coordinates: [  0.7905541300000000,  0.9253424400000000,  0.2365894200000000 ]
     mass: 18.998403
   - symbol: F  # 32
     coordinates: [  0.2905541300000000,  0.5746575600000000,  0.7634105799999999 ]
     mass: 18.998403
   - symbol: F  # 33
     coordinates: [  0.2878301100000000,  0.1857097300000000,  0.0978590000000000 ]
     mass: 18.998403
   - symbol: F  # 34
     coordinates: [  0.7878301100000000,  0.3142902700000000,  0.9021410000000000 ]
     mass: 18.998403
   - symbol: F  # 35
     coordinates: [  0.2121698900000000,  0.3142902700000000,  0.5978590000000000 ]
     mass: 18.998403
   - symbol: F  # 36
     coordinates: [  0.7121698900000000,  0.1857097300000000,  0.4021410000000000 ]
     mass: 18.998403
   - symbol: F  # 37
     coordinates: [  0.7121698900000000,  0.8142902700000000,  0.9021410000000000 ]
     mass: 18.998403
   - symbol: F  # 38
     coordinates: [  0.2121698900000000,  0.6857097300000000,  0.0978590000000000 ]
     mass: 18.998403
   - symbol: F  # 39
     coordinates: [  0.7878301100000000,  0.6857097300000000,  0.4021410000000000 ]
     mass: 18.998403
   - symbol: F  # 40
     coordinates: [  0.2878301100000000,  0.8142902700000000,  0.5978590000000000 ]
     mass: 18.998403
   - symbol: F  # 41
     coordinates: [  0.0205435800000000,  0.1157043700000000,  0.9750674200000000 ]
     mass: 18.998403
   - symbol: F  # 42
     coordinates: [  0.5205435800000000,  0.3842956300000000,  0.0249325800000000 ]
     mass: 18.998403
   - symbol: F  # 43
     coordinates: [  0.4794564200000000,  0.3842956300000000,  0.4750674200000000 ]
     mass: 18.998403
   - symbol: F  # 44
     coordinates: [  0.9794564200000000,  0.1157043700000000,  0.5249325800000000 ]
     mass: 18.998403
   - symbol: F  # 45
     coordinates: [  0.9794564200000000,  0.8842956300000000,  0.0249325800000000 ]
     mass: 18.998403
   - symbol: F  # 46
     coordinates: [  0.4794564200000000,  0.6157043700000000,  0.9750674200000000 ]
     mass: 18.998403
   - symbol: F  # 47
     coordinates: [  0.5205435800000000,  0.6157043700000000,  0.5249325800000000 ]
     mass: 18.998403
   - symbol: F  # 48
     coordinates: [  0.0177376400000000,  0.6616371000000000,  0.8816946300000000 ]
     mass: 18.998403
   - symbol: Na # 49
     coordinates: [  0.2556398800000000,  0.6424131100000000,  0.5757830400000000 ]
     mass: 22.989769
   - symbol: Na # 50
     coordinates: [  0.7556398800000000,  0.8575868900000000,  0.4242169600000000 ]
     mass: 22.989769
   - symbol: Na # 51
     coordinates: [  0.2443601200000000,  0.8575868900000000,  0.0757830400000000 ]
     mass: 22.989769
   - symbol: Na # 52
     coordinates: [  0.7443601200000000,  0.6424131100000000,  0.9242169600000000 ]
     mass: 22.989769
   - symbol: Na # 53
     coordinates: [  0.7443601200000000,  0.3575868900000000,  0.4242169600000000 ]
     mass: 22.989769
   - symbol: Na # 54
     coordinates: [  0.2443601200000000,  0.1424131100000000,  0.5757830400000000 ]
     mass: 22.989769
   - symbol: Na # 55
     coordinates: [  0.7556398800000000,  0.1424131100000000,  0.9242169600000000 ]
     mass: 22.989769
   - symbol: Na # 56
     coordinates: [  0.2556398800000000,  0.3575868900000000,  0.0757830400000000 ]
     mass: 22.989769
   - symbol: Rb # 57
     coordinates: [  0.0000000000000000,  0.5702644900000000,  0.2500000000000000 ]
     mass: 85.467800
   - symbol: Rb # 58
     coordinates: [  0.5000000000000000,  0.9297355100000000,  0.7500000000000000 ]
     mass: 85.467800
   - symbol: Rb # 59
     coordinates: [  0.0000000000000000,  0.4297355100000000,  0.7500000000000000 ]
     mass: 85.467800
   - symbol: Rb # 60
     coordinates: [  0.5000000000000000,  0.0702644900000000,  0.2500000000000000 ]
     mass: 85.467800
   - symbol: Rb # 61
     coordinates: [  0.5000000000000000,  0.6328566000000000,  0.2500000000000000 ]
     mass: 85.467800
   - symbol: Rb # 62
     coordinates: [  0.0000000000000000,  0.8671434000000000,  0.7500000000000000 ]
     mass: 85.467800
   - symbol: Rb # 63
     coordinates: [  0.5000000000000000,  0.3671434000000000,  0.7500000000000000 ]
     mass: 85.467800
   - symbol: Rb # 64
     coordinates: [  0.0000000000000000,  0.1328566000000000,  0.2500000000000000 ]
     mass: 85.467800
   - symbol: Sn # 65
     coordinates: [  0.2512829700000000,  0.1357003700000000,  0.9270550700000000 ]
     mass: 118.710000
   - symbol: Sn # 66
     coordinates: [  0.7512829700000000,  0.3642996300000000,  0.0729449300000000 ]
     mass: 118.710000
   - symbol: Sn # 67
     coordinates: [  0.2487170300000000,  0.3642996300000000,  0.4270550700000000 ]
     mass: 118.710000
   - symbol: Sn # 68
     coordinates: [  0.7487170300000000,  0.1357003700000000,  0.5729449300000000 ]
     mass: 118.710000
   - symbol: Sn # 69
     coordinates: [  0.7487170300000000,  0.8642996300000000,  0.0729449300000000 ]
     mass: 118.710000
   - symbol: Sn # 70
     coordinates: [  0.2487170300000000,  0.6357003700000000,  0.9270550700000000 ]
     mass: 118.710000
   - symbol: Sn # 71
     coordinates: [  0.7512829700000000,  0.6357003700000000,  0.5729449300000000 ]
     mass: 118.710000
   - symbol: Sn # 72
     coordinates: [  0.2512829700000000,  0.8642996300000000,  0.4270550700000000 ]
     mass: 118.710000
   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
   - 69
   - 70
   - 71
   - 72

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