Materials id 6434 / RbAlSiO4 / Pna2_1 (33)
==============================================================================

- Date page updated: 2018-4-17
- Space group type: Pna2_1 (33) / P 2c -2n
- Number of formula units (Z): 4
- Phonon raw data: :download:`mp-6434-20180417.tar.lzma <./mp-6434-20180417.tar.lzma>`
- Link to Materials Project: `https://www.materialsproject.org/materials/mp-6434/ <https://www.materialsproject.org/materials/mp-6434/>`_

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

.. image:: mp-6434-band.png

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

.. image:: mp-6434-dos.png

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

Imaginary modes are excluded if they exist.

.. image:: mp-6434-tprops.png

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

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

::

   lattice:
   - [     8.7836948300000000,     0.0000000000000000,     0.0000000000000000 ] # a
   - [     0.0000000000000000,     9.2308936900000003,     0.0000000000000000 ] # b
   - [     0.0000000000000000,     0.0000000000000000,     5.3362630600000003 ] # c
   points:
   - symbol: O  # 1
     coordinates: [  0.7527740400000000,  0.2562913800000000,  0.0968561200000000 ]
     mass: 15.999400
   - symbol: O  # 2
     coordinates: [  0.2472259600000000,  0.7437086200000000,  0.5968561200000000 ]
     mass: 15.999400
   - symbol: O  # 3
     coordinates: [  0.7472259600000000,  0.7562913800000000,  0.5968561200000000 ]
     mass: 15.999400
   - symbol: O  # 4
     coordinates: [  0.2527740400000000,  0.2437086200000000,  0.0968561200000000 ]
     mass: 15.999400
   - symbol: O  # 5
     coordinates: [  0.7581199100000000,  0.5348935600000000,  0.2146143800000000 ]
     mass: 15.999400
   - symbol: O  # 6
     coordinates: [  0.2418800900000000,  0.4651064400000000,  0.7146143800000000 ]
     mass: 15.999400
   - symbol: O  # 7
     coordinates: [  0.7418800900000000,  0.0348935600000000,  0.7146143800000000 ]
     mass: 15.999400
   - symbol: O  # 8
     coordinates: [  0.2581199100000000,  0.9651064400000000,  0.2146143800000000 ]
     mass: 15.999400
   - symbol: O  # 9
     coordinates: [  0.7587839800000000,  0.4585108100000000,  0.7332884500000000 ]
     mass: 15.999400
   - symbol: O  # 10
     coordinates: [  0.2412160200000000,  0.5414891900000000,  0.2332884500000000 ]
     mass: 15.999400
   - symbol: O  # 11
     coordinates: [  0.7412160200000000,  0.9585108100000000,  0.2332884500000000 ]
     mass: 15.999400
   - symbol: O  # 12
     coordinates: [  0.2587839800000000,  0.0414891900000000,  0.7332884500000000 ]
     mass: 15.999400
   - symbol: O  # 13
     coordinates: [  0.0096041000000000,  0.0848893000000000,  0.0096060500000000 ]
     mass: 15.999400
   - symbol: O  # 14
     coordinates: [  0.9903959000000000,  0.9151107000000001,  0.5096060500000000 ]
     mass: 15.999400
   - symbol: O  # 15
     coordinates: [  0.4903959000000000,  0.5848892999999999,  0.5096060500000000 ]
     mass: 15.999400
   - symbol: O  # 16
     coordinates: [  0.5096041000000000,  0.4151107000000000,  0.0096060500000000 ]
     mass: 15.999400
   - symbol: Al # 17
     coordinates: [  0.8124161100000000,  0.0829879100000000,  0.0112396300000000 ]
     mass: 26.981539
   - symbol: Al # 18
     coordinates: [  0.1875838900000000,  0.9170120899999999,  0.5112396299999999 ]
     mass: 26.981539
   - symbol: Al # 19
     coordinates: [  0.6875838900000000,  0.5829879100000001,  0.5112396299999999 ]
     mass: 26.981539
   - symbol: Al # 20
     coordinates: [  0.3124161100000000,  0.4170120900000000,  0.0112396300000000 ]
     mass: 26.981539
   - symbol: Si # 21
     coordinates: [  0.6937885100000000,  0.4160635300000000,  0.0116471700000000 ]
     mass: 28.085500
   - symbol: Si # 22
     coordinates: [  0.3062114900000000,  0.5839364700000000,  0.5116471700000000 ]
     mass: 28.085500
   - symbol: Si # 23
     coordinates: [  0.8062114900000000,  0.9160635300000000,  0.5116471700000000 ]
     mass: 28.085500
   - symbol: Si # 24
     coordinates: [  0.1937885100000000,  0.0839364700000000,  0.0116471700000000 ]
     mass: 28.085500
   - symbol: Rb # 25
     coordinates: [  0.0011229300000000,  0.2932485600000000,  0.4904782200000000 ]
     mass: 85.467800
   - symbol: Rb # 26
     coordinates: [  0.9988770700000000,  0.7067514400000000,  0.9904782200000000 ]
     mass: 85.467800
   - symbol: Rb # 27
     coordinates: [  0.4988770700000000,  0.7932485600000000,  0.9904782200000000 ]
     mass: 85.467800
   - symbol: Rb # 28
     coordinates: [  0.5011229300000000,  0.2067514400000000,  0.4904782200000000 ]
     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