Materials id 3193 / Na2Si2O5 / P2_1/c (14)
==============================================================================

- Date page updated: 2018-4-17
- Space group type: P2_1/c (14) / -P 2ybc
- Number of formula units (Z): 4
- Phonon raw data: :download:`mp-3193-20180417.tar.lzma <./mp-3193-20180417.tar.lzma>`
- Link to Materials Project: `https://www.materialsproject.org/materials/mp-3193/ <https://www.materialsproject.org/materials/mp-3193/>`_

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

.. image:: mp-3193-band.png

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

.. image:: mp-3193-dos.png

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

Imaginary modes are excluded if they exist.

.. image:: mp-3193-tprops.png

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

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

::

   lattice:
   - [     8.1507294699999999,     0.0000000000000000,     0.0148053000000000 ] # a
   - [     0.0000000000000000,     4.8620228699999997,     0.0000000000000000 ] # b
   - [    -3.0172679300000000,     0.0000000000000000,    11.9559685699999996 ] # c
   points:
   - symbol: O  # 1
     coordinates: [  0.9053056300000000,  0.7455198200000001,  0.0626610800000000 ]
     mass: 15.999400
   - symbol: O  # 2
     coordinates: [  0.0946943700000000,  0.2455198200000000,  0.4373389200000000 ]
     mass: 15.999400
   - symbol: O  # 3
     coordinates: [  0.0946943700000000,  0.2544801800000000,  0.9373389200000000 ]
     mass: 15.999400
   - symbol: O  # 4
     coordinates: [  0.9053056300000000,  0.7544801799999999,  0.5626610800000000 ]
     mass: 15.999400
   - symbol: O  # 5
     coordinates: [  0.3899924600000000,  0.7314679700000000,  0.4019327300000000 ]
     mass: 15.999400
   - symbol: O  # 6
     coordinates: [  0.6100075400000000,  0.2314679700000000,  0.0980672700000000 ]
     mass: 15.999400
   - symbol: O  # 7
     coordinates: [  0.6100075400000000,  0.2685320300000000,  0.5980672700000000 ]
     mass: 15.999400
   - symbol: O  # 8
     coordinates: [  0.3899924600000000,  0.7685320300000000,  0.9019327300000000 ]
     mass: 15.999400
   - symbol: O  # 9
     coordinates: [  0.2256728200000000,  0.7460050499999999,  0.1796859900000000 ]
     mass: 15.999400
   - symbol: O  # 10
     coordinates: [  0.7743271800000000,  0.2460050500000000,  0.3203140100000000 ]
     mass: 15.999400
   - symbol: O  # 11
     coordinates: [  0.7743271800000000,  0.2539949500000000,  0.8203140100000000 ]
     mass: 15.999400
   - symbol: O  # 12
     coordinates: [  0.2256728200000000,  0.7539949500000001,  0.6796859900000000 ]
     mass: 15.999400
   - symbol: O  # 13
     coordinates: [  0.4521327900000000,  0.1234226400000000,  0.2677705600000000 ]
     mass: 15.999400
   - symbol: O  # 14
     coordinates: [  0.5478672100000000,  0.6234226400000000,  0.2322294400000000 ]
     mass: 15.999400
   - symbol: O  # 15
     coordinates: [  0.5478672100000000,  0.8765773600000000,  0.7322294400000000 ]
     mass: 15.999400
   - symbol: O  # 16
     coordinates: [  0.4521327900000000,  0.3765773600000000,  0.7677705600000000 ]
     mass: 15.999400
   - symbol: O  # 17
     coordinates: [  0.0159049500000000,  0.1455588300000000,  0.7131785400000000 ]
     mass: 15.999400
   - symbol: O  # 18
     coordinates: [  0.9840950500000000,  0.6455588300000000,  0.7868214600000000 ]
     mass: 15.999400
   - symbol: O  # 19
     coordinates: [  0.9840950500000000,  0.8544411700000000,  0.2868214600000000 ]
     mass: 15.999400
   - symbol: O  # 20
     coordinates: [  0.0159049500000000,  0.3544411700000000,  0.2131785400000000 ]
     mass: 15.999400
   - symbol: Na # 21
     coordinates: [  0.3793185400000000,  0.2464208400000000,  0.9433115100000000 ]
     mass: 22.989769
   - symbol: Na # 22
     coordinates: [  0.6206814600000000,  0.7464208400000000,  0.5566884900000000 ]
     mass: 22.989769
   - symbol: Na # 23
     coordinates: [  0.6206814600000000,  0.7535791600000000,  0.0566884900000000 ]
     mass: 22.989769
   - symbol: Na # 24
     coordinates: [  0.3793185400000000,  0.2535791600000000,  0.4433115100000000 ]
     mass: 22.989769
   - symbol: Na # 25
     coordinates: [  0.1364136500000000,  0.7752497300000000,  0.9722603500000000 ]
     mass: 22.989769
   - symbol: Na # 26
     coordinates: [  0.8635863499999999,  0.2752497300000000,  0.5277396500000000 ]
     mass: 22.989769
   - symbol: Na # 27
     coordinates: [  0.8635863499999999,  0.2247502700000000,  0.0277396500000000 ]
     mass: 22.989769
   - symbol: Na # 28
     coordinates: [  0.1364136500000000,  0.7247502700000000,  0.4722603500000000 ]
     mass: 22.989769
   - symbol: Si # 29
     coordinates: [  0.0270519200000000,  0.8165945200000000,  0.6818346100000000 ]
     mass: 28.085500
   - symbol: Si # 30
     coordinates: [  0.9729480800000000,  0.3165945200000000,  0.8181653900000000 ]
     mass: 28.085500
   - symbol: Si # 31
     coordinates: [  0.9729480800000000,  0.1834054800000000,  0.3181653900000000 ]
     mass: 28.085500
   - symbol: Si # 32
     coordinates: [  0.0270519200000000,  0.6834054800000000,  0.1818346100000000 ]
     mass: 28.085500
   - symbol: Si # 33
     coordinates: [  0.4025143400000000,  0.7046592600000000,  0.7770761900000001 ]
     mass: 28.085500
   - symbol: Si # 34
     coordinates: [  0.5974856600000000,  0.2046592600000000,  0.7229238099999999 ]
     mass: 28.085500
   - symbol: Si # 35
     coordinates: [  0.5974856600000000,  0.2953407400000000,  0.2229238100000000 ]
     mass: 28.085500
   - symbol: Si # 36
     coordinates: [  0.4025143400000000,  0.7953407400000000,  0.2770761900000000 ]
     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
   - 33
   - 34
   - 35
   - 36

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