Materials id 6426 / Na2MgSiO4 / 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-6426-20180417.tar.lzma <./mp-6426-20180417.tar.lzma>`
- Link to Materials Project: `https://www.materialsproject.org/materials/mp-6426/ <https://www.materialsproject.org/materials/mp-6426/>`_

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

.. image:: mp-6426-band.png

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

.. image:: mp-6426-dos.png

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

Imaginary modes are excluded if they exist.

.. image:: mp-6426-tprops.png

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

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

::

   lattice:
   - [    10.9831217500000005,     0.0000000000000000,     0.0000000000000000 ] # a
   - [     0.0000000000000000,     5.2972081600000003,     0.0000000000000000 ] # b
   - [     0.0000000000000000,     0.0000000000000000,     7.0435119799999999 ] # c
   points:
   - symbol: O  # 1
     coordinates: [  0.8890594700000000,  0.8885479400000000,  0.1032391500000000 ]
     mass: 15.999400
   - symbol: O  # 2
     coordinates: [  0.1109405300000000,  0.1114520600000000,  0.6032391499999999 ]
     mass: 15.999400
   - symbol: O  # 3
     coordinates: [  0.3890594700000000,  0.6114520600000000,  0.1032391500000000 ]
     mass: 15.999400
   - symbol: O  # 4
     coordinates: [  0.6109405300000000,  0.3885479400000000,  0.6032391499999999 ]
     mass: 15.999400
   - symbol: O  # 5
     coordinates: [  0.0522028300000000,  0.2551275100000000,  0.1605037500000000 ]
     mass: 15.999400
   - symbol: O  # 6
     coordinates: [  0.9477971700000000,  0.7448724900000000,  0.6605037499999999 ]
     mass: 15.999400
   - symbol: O  # 7
     coordinates: [  0.5522028300000000,  0.2448724900000000,  0.1605037500000000 ]
     mass: 15.999400
   - symbol: O  # 8
     coordinates: [  0.4477971700000000,  0.7551275100000000,  0.6605037499999999 ]
     mass: 15.999400
   - symbol: O  # 9
     coordinates: [  0.8549060000000001,  0.3390209600000000,  0.9411021100000000 ]
     mass: 15.999400
   - symbol: O  # 10
     coordinates: [  0.1450940000000000,  0.6609790400000000,  0.4411021100000000 ]
     mass: 15.999400
   - symbol: O  # 11
     coordinates: [  0.3549060000000000,  0.1609790400000000,  0.9411021100000000 ]
     mass: 15.999400
   - symbol: O  # 12
     coordinates: [  0.6710673100000000,  0.7791457500000000,  0.8239634200000000 ]
     mass: 15.999400
   - symbol: O  # 13
     coordinates: [  0.8289326900000000,  0.2791457500000000,  0.3239634200000000 ]
     mass: 15.999400
   - symbol: O  # 14
     coordinates: [  0.1710673100000000,  0.7208542500000000,  0.8239634200000000 ]
     mass: 15.999400
   - symbol: O  # 15
     coordinates: [  0.3289326900000000,  0.2208542500000000,  0.3239634200000000 ]
     mass: 15.999400
   - symbol: O  # 16
     coordinates: [  0.6450939999999999,  0.8390209600000000,  0.4411021100000000 ]
     mass: 15.999400
   - symbol: Na # 17
     coordinates: [  0.0878620400000000,  0.7619414500000000,  0.1302383600000000 ]
     mass: 22.989769
   - symbol: Na # 18
     coordinates: [  0.3423687000000000,  0.7910918700000000,  0.3842445300000000 ]
     mass: 22.989769
   - symbol: Na # 19
     coordinates: [  0.1576313000000000,  0.2910918700000000,  0.8842445300000000 ]
     mass: 22.989769
   - symbol: Na # 20
     coordinates: [  0.8423687000000000,  0.7089081300000000,  0.3842445300000000 ]
     mass: 22.989769
   - symbol: Na # 21
     coordinates: [  0.9121379600000000,  0.2380585500000000,  0.6302383600000000 ]
     mass: 22.989769
   - symbol: Na # 22
     coordinates: [  0.5878620400000000,  0.7380585500000000,  0.1302383600000000 ]
     mass: 22.989769
   - symbol: Na # 23
     coordinates: [  0.4121379600000000,  0.2619414500000000,  0.6302383600000000 ]
     mass: 22.989769
   - symbol: Na # 24
     coordinates: [  0.6576313000000000,  0.2089081300000000,  0.8842445300000000 ]
     mass: 22.989769
   - symbol: Mg # 25
     coordinates: [  0.8422464200000001,  0.6987219300000000,  0.8802677700000000 ]
     mass: 24.305000
   - symbol: Mg # 26
     coordinates: [  0.3422464200000000,  0.8012780700000000,  0.8802677700000000 ]
     mass: 24.305000
   - symbol: Mg # 27
     coordinates: [  0.1577535800000000,  0.3012780700000000,  0.3802677700000000 ]
     mass: 24.305000
   - symbol: Mg # 28
     coordinates: [  0.6577535799999999,  0.1987219300000000,  0.3802677700000000 ]
     mass: 24.305000
   - symbol: Si # 29
     coordinates: [  0.9058624300000000,  0.1953134600000000,  0.1324408900000000 ]
     mass: 28.085500
   - symbol: Si # 30
     coordinates: [  0.0941375700000000,  0.8046865400000000,  0.6324408900000000 ]
     mass: 28.085500
   - symbol: Si # 31
     coordinates: [  0.4058624300000000,  0.3046865400000000,  0.1324408900000000 ]
     mass: 28.085500
   - symbol: Si # 32
     coordinates: [  0.5941375700000000,  0.6953134600000000,  0.6324408900000000 ]
     mass: 28.085500
   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

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