Materials id 18510 / Sr2SiO4 / 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-18510-20180417.tar.lzma <./mp-18510-20180417.tar.lzma>`
- Link to Materials Project: `https://www.materialsproject.org/materials/mp-18510/ <https://www.materialsproject.org/materials/mp-18510/>`_

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

.. image:: mp-18510-band.png

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

.. image:: mp-18510-dos.png

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

Imaginary modes are excluded if they exist.

.. image:: mp-18510-tprops.png

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

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

::

   lattice:
   - [     5.6645895700000004,     0.0000000000000000,     0.0031805200000000 ] # a
   - [     0.0000000000000000,     7.0699065100000000,     0.0000000000000000 ] # b
   - [    -5.0877122899999998,     0.0000000000000000,     9.6952061500000006 ] # c
   points:
   - symbol: O  # 1
     coordinates: [  0.3432888600000000,  0.2330559100000000,  0.8199619900000000 ]
     mass: 15.999400
   - symbol: O  # 2
     coordinates: [  0.6567111400000000,  0.7330559100000000,  0.6800380100000000 ]
     mass: 15.999400
   - symbol: O  # 3
     coordinates: [  0.6567111400000000,  0.7669440900000000,  0.1800380100000000 ]
     mass: 15.999400
   - symbol: O  # 4
     coordinates: [  0.3432888600000000,  0.2669440900000000,  0.3199619900000000 ]
     mass: 15.999400
   - symbol: O  # 5
     coordinates: [  0.8480378000000000,  0.1754148800000000,  0.8596973700000000 ]
     mass: 15.999400
   - symbol: O  # 6
     coordinates: [  0.1519622000000000,  0.6754148800000001,  0.6403026300000000 ]
     mass: 15.999400
   - symbol: O  # 7
     coordinates: [  0.1519622000000000,  0.8245851199999999,  0.1403026300000000 ]
     mass: 15.999400
   - symbol: O  # 8
     coordinates: [  0.8480378000000000,  0.3245851200000000,  0.3596973700000000 ]
     mass: 15.999400
   - symbol: O  # 9
     coordinates: [  0.7533637399999999,  0.1804418300000000,  0.0719194700000000 ]
     mass: 15.999400
   - symbol: O  # 10
     coordinates: [  0.2466362600000000,  0.6804418300000000,  0.4280805300000000 ]
     mass: 15.999400
   - symbol: O  # 11
     coordinates: [  0.2466362600000000,  0.8195581700000000,  0.9280805300000000 ]
     mass: 15.999400
   - symbol: O  # 12
     coordinates: [  0.7533637399999999,  0.3195581700000000,  0.5719194700000000 ]
     mass: 15.999400
   - symbol: O  # 13
     coordinates: [  0.7123350300000000,  0.9937818500000000,  0.4311146500000000 ]
     mass: 15.999400
   - symbol: O  # 14
     coordinates: [  0.2876649700000000,  0.4937818500000000,  0.0688853500000000 ]
     mass: 15.999400
   - symbol: O  # 15
     coordinates: [  0.2876649700000000,  0.0062181500000000,  0.5688853500000000 ]
     mass: 15.999400
   - symbol: O  # 16
     coordinates: [  0.7123350300000000,  0.5062181500000000,  0.9311146500000000 ]
     mass: 15.999400
   - symbol: Si # 17
     coordinates: [  0.6600713400000000,  0.2792048000000000,  0.9187821900000001 ]
     mass: 28.085500
   - symbol: Si # 18
     coordinates: [  0.3399286600000000,  0.7792048000000000,  0.5812178099999999 ]
     mass: 28.085500
   - symbol: Si # 19
     coordinates: [  0.3399286600000000,  0.7207952000000000,  0.0812178100000000 ]
     mass: 28.085500
   - symbol: Si # 20
     coordinates: [  0.6600713400000000,  0.2207952000000000,  0.4187821900000000 ]
     mass: 28.085500
   - symbol: Sr # 21
     coordinates: [  0.9722228700000000,  0.4999629600000000,  0.1974365200000000 ]
     mass: 87.620000
   - symbol: Sr # 22
     coordinates: [  0.0277771300000000,  0.9999629600000000,  0.3025634800000000 ]
     mass: 87.620000
   - symbol: Sr # 23
     coordinates: [  0.0277771300000000,  0.5000370400000000,  0.8025634800000000 ]
     mass: 87.620000
   - symbol: Sr # 24
     coordinates: [  0.9722228700000000,  0.0000370400000000,  0.6974365200000000 ]
     mass: 87.620000
   - symbol: Sr # 25
     coordinates: [  0.6886197400000000,  0.8429656300000000,  0.9242694000000000 ]
     mass: 87.620000
   - symbol: Sr # 26
     coordinates: [  0.3113802600000000,  0.3429656300000000,  0.5757306000000000 ]
     mass: 87.620000
   - symbol: Sr # 27
     coordinates: [  0.3113802600000000,  0.1570343700000000,  0.0757306000000000 ]
     mass: 87.620000
   - symbol: Sr # 28
     coordinates: [  0.6886197400000000,  0.6570343700000000,  0.4242694000000000 ]
     mass: 87.620000
   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