Materials id 20938 / RbIn5S8 / C2/m (12)
==============================================================================

- Date page updated: 2018-4-17
- Space group type: C2/m (12) / -C 2y
- Number of formula units (Z): 2
- Phonon raw data: :download:`mp-20938-20180417.tar.lzma <./mp-20938-20180417.tar.lzma>`
- Link to Materials Project: `https://www.materialsproject.org/materials/mp-20938/ <https://www.materialsproject.org/materials/mp-20938/>`_

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

.. image:: mp-20938-band.png

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

.. image:: mp-20938-dos.png

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

Imaginary modes are excluded if they exist.

.. image:: mp-20938-tprops.png

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

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

::

   lattice:
   - [    18.9578010200000016,     0.0000000000000000,    -0.0607038700000000 ] # a
   - [     0.0000000000000000,     3.8541305800000001,     0.0000000000000000 ] # b
   - [    -1.9885872800000000,     0.0000000000000000,     8.9964778899999995 ] # c
   points:
   - symbol: S  # 1
     coordinates: [  0.8352566700000000,  0.0000000000000000,  0.5169765200000001 ]
     mass: 32.065000
   - symbol: S  # 2
     coordinates: [  0.9259317100000000,  0.0000000000000000,  0.2073547500000000 ]
     mass: 32.065000
   - symbol: S  # 3
     coordinates: [  0.5740682900000000,  0.5000000000000000,  0.7926452500000000 ]
     mass: 32.065000
   - symbol: S  # 4
     coordinates: [  0.5831040900000000,  0.0000000000000000,  0.1340823200000000 ]
     mass: 32.065000
   - symbol: S  # 5
     coordinates: [  0.9168959100000000,  0.5000000000000000,  0.8659176800000000 ]
     mass: 32.065000
   - symbol: S  # 6
     coordinates: [  0.7658749700000000,  0.0000000000000000,  0.8498535000000000 ]
     mass: 32.065000
   - symbol: S  # 7
     coordinates: [  0.7341250300000000,  0.5000000000000000,  0.1501465000000000 ]
     mass: 32.065000
   - symbol: S  # 8
     coordinates: [  0.6647433300000000,  0.5000000000000000,  0.4830234800000000 ]
     mass: 32.065000
   - symbol: S  # 9
     coordinates: [  0.3352566700000000,  0.5000000000000000,  0.5169765200000001 ]
     mass: 32.065000
   - symbol: S  # 10
     coordinates: [  0.4259317100000000,  0.5000000000000000,  0.2073547500000000 ]
     mass: 32.065000
   - symbol: S  # 11
     coordinates: [  0.0740682900000000,  0.0000000000000000,  0.7926452500000000 ]
     mass: 32.065000
   - symbol: S  # 12
     coordinates: [  0.0831040900000000,  0.5000000000000000,  0.1340823200000000 ]
     mass: 32.065000
   - symbol: S  # 13
     coordinates: [  0.4168959100000000,  0.0000000000000000,  0.8659176800000000 ]
     mass: 32.065000
   - symbol: S  # 14
     coordinates: [  0.2658749700000000,  0.5000000000000000,  0.8498535000000000 ]
     mass: 32.065000
   - symbol: S  # 15
     coordinates: [  0.2341250300000000,  0.0000000000000000,  0.1501465000000000 ]
     mass: 32.065000
   - symbol: S  # 16
     coordinates: [  0.1647433300000000,  0.0000000000000000,  0.4830234800000000 ]
     mass: 32.065000
   - symbol: Rb # 17
     coordinates: [  0.5000000000000000,  0.0000000000000000,  0.5000000000000000 ]
     mass: 85.467800
   - symbol: Rb # 18
     coordinates: [  0.0000000000000000,  0.5000000000000000,  0.5000000000000000 ]
     mass: 85.467800
   - symbol: In # 19
     coordinates: [  0.7105217600000000,  0.0000000000000000,  0.3396940800000000 ]
     mass: 114.818000
   - symbol: In # 20
     coordinates: [  0.6488999300000000,  0.0000000000000000,  0.9228823000000000 ]
     mass: 114.818000
   - symbol: In # 21
     coordinates: [  0.8511000700000000,  0.5000000000000000,  0.0771177000000000 ]
     mass: 114.818000
   - symbol: In # 22
     coordinates: [  0.7894782400000000,  0.5000000000000000,  0.6603059200000000 ]
     mass: 114.818000
   - symbol: In # 23
     coordinates: [  0.5000000000000000,  0.5000000000000000,  0.0000000000000000 ]
     mass: 114.818000
   - symbol: In # 24
     coordinates: [  0.2105217600000000,  0.5000000000000000,  0.3396940800000000 ]
     mass: 114.818000
   - symbol: In # 25
     coordinates: [  0.1488999300000000,  0.5000000000000000,  0.9228823000000000 ]
     mass: 114.818000
   - symbol: In # 26
     coordinates: [  0.3511000700000000,  0.0000000000000000,  0.0771177000000000 ]
     mass: 114.818000
   - symbol: In # 27
     coordinates: [  0.2894782400000000,  0.0000000000000000,  0.6603059200000000 ]
     mass: 114.818000
   - symbol: In # 28
     coordinates: [  0.0000000000000000,  0.0000000000000000,  0.0000000000000000 ]
     mass: 114.818000
   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

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