Materials id 16911 / Rb2S5 / P2_12_12_1 (19)
==============================================================================

- Date page updated: 2018-4-17
- Space group type: P2_12_12_1 (19) / P 2ac 2ab
- Number of formula units (Z): 4
- Phonon raw data: :download:`mp-16911-20180417.tar.lzma <./mp-16911-20180417.tar.lzma>`
- Link to Materials Project: `https://www.materialsproject.org/materials/mp-16911/ <https://www.materialsproject.org/materials/mp-16911/>`_

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

.. image:: mp-16911-band.png

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

.. image:: mp-16911-dos.png

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

Imaginary modes are excluded if they exist.

.. image:: mp-16911-tprops.png

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

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

::

   lattice:
   - [     6.4924094900000000,     0.0000000000000000,     0.0000000000000000 ] # a
   - [     0.0000000000000000,     6.7594747999999996,     0.0000000000000000 ] # b
   - [     0.0000000000000000,     0.0000000000000000,    18.4721144099999997 ] # c
   points:
   - symbol: S  # 1
     coordinates: [  0.5512631600000000,  0.7100455900000000,  0.1500764500000000 ]
     mass: 32.065000
   - symbol: S  # 2
     coordinates: [  0.0512631600000000,  0.7899544100000000,  0.8499235500000000 ]
     mass: 32.065000
   - symbol: S  # 3
     coordinates: [  0.4487368400000000,  0.2100455900000000,  0.3499235500000000 ]
     mass: 32.065000
   - symbol: S  # 4
     coordinates: [  0.9487368400000000,  0.2899544100000000,  0.6500764500000000 ]
     mass: 32.065000
   - symbol: S  # 5
     coordinates: [  0.2512320200000000,  0.6213015900000000,  0.1377809300000000 ]
     mass: 32.065000
   - symbol: S  # 6
     coordinates: [  0.7512320200000000,  0.8786984100000000,  0.8622190700000000 ]
     mass: 32.065000
   - symbol: S  # 7
     coordinates: [  0.7487679800000000,  0.1213015900000000,  0.3622190700000000 ]
     mass: 32.065000
   - symbol: S  # 8
     coordinates: [  0.2487679800000000,  0.3786984100000000,  0.6377809300000000 ]
     mass: 32.065000
   - symbol: S  # 9
     coordinates: [  0.5930175200000000,  0.9227988300000000,  0.5389144600000000 ]
     mass: 32.065000
   - symbol: S  # 10
     coordinates: [  0.0930175200000000,  0.5772011700000000,  0.4610855400000000 ]
     mass: 32.065000
   - symbol: S  # 11
     coordinates: [  0.4069824800000000,  0.4227988300000000,  0.9610855400000000 ]
     mass: 32.065000
   - symbol: S  # 12
     coordinates: [  0.9069824800000000,  0.0772011700000000,  0.0389144600000000 ]
     mass: 32.065000
   - symbol: S  # 13
     coordinates: [  0.4331776600000000,  0.9117793900000000,  0.6341759900000000 ]
     mass: 32.065000
   - symbol: S  # 14
     coordinates: [  0.9331776600000000,  0.5882206100000000,  0.3658240100000000 ]
     mass: 32.065000
   - symbol: S  # 15
     coordinates: [  0.5668223400000000,  0.4117793900000000,  0.8658240100000000 ]
     mass: 32.065000
   - symbol: S  # 16
     coordinates: [  0.0668223400000000,  0.0882206100000000,  0.1341759900000000 ]
     mass: 32.065000
   - symbol: S  # 17
     coordinates: [  0.4469486300000000,  0.1798061300000000,  0.6889427700000000 ]
     mass: 32.065000
   - symbol: S  # 18
     coordinates: [  0.9469486300000000,  0.3201938700000000,  0.3110572300000000 ]
     mass: 32.065000
   - symbol: S  # 19
     coordinates: [  0.5530513700000000,  0.6798061300000000,  0.8110572300000000 ]
     mass: 32.065000
   - symbol: S  # 20
     coordinates: [  0.0530513700000000,  0.8201938700000000,  0.1889427700000000 ]
     mass: 32.065000
   - symbol: Rb # 21
     coordinates: [  0.4179888800000000,  0.7144508000000001,  0.3240809800000000 ]
     mass: 85.467800
   - symbol: Rb # 22
     coordinates: [  0.9179888800000000,  0.7855491999999999,  0.6759190200000000 ]
     mass: 85.467800
   - symbol: Rb # 23
     coordinates: [  0.5820111200000000,  0.2144508000000000,  0.1759190200000000 ]
     mass: 85.467800
   - symbol: Rb # 24
     coordinates: [  0.0820111200000000,  0.2855492000000000,  0.8240809800000000 ]
     mass: 85.467800
   - symbol: Rb # 25
     coordinates: [  0.8802173800000000,  0.5727776300000000,  0.0074953300000000 ]
     mass: 85.467800
   - symbol: Rb # 26
     coordinates: [  0.3802173800000000,  0.9272223700000000,  0.9925046700000000 ]
     mass: 85.467800
   - symbol: Rb # 27
     coordinates: [  0.1197826200000000,  0.0727776300000000,  0.4925046700000000 ]
     mass: 85.467800
   - symbol: Rb # 28
     coordinates: [  0.6197826200000000,  0.4272223700000000,  0.5074953300000000 ]
     mass: 85.467800
   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