Materials id 5152 / La2SiO5 / 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-5152-20180417.tar.lzma <./mp-5152-20180417.tar.lzma>`
- Link to Materials Project: `https://www.materialsproject.org/materials/mp-5152/ <https://www.materialsproject.org/materials/mp-5152/>`_

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

.. image:: mp-5152-band.png

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

.. image:: mp-5152-dos.png

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

Imaginary modes are excluded if they exist.

.. image:: mp-5152-tprops.png

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

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

::

   lattice:
   - [     9.2625485699999999,     0.0000000000000000,     0.0168205500000000 ] # a
   - [     0.0000000000000000,     7.5339121799999997,     0.0000000000000000 ] # b
   - [    -2.2532131000000000,     0.0000000000000000,     6.5960709499999997 ] # c
   points:
   - symbol: O  # 1
     coordinates: [  0.1120491800000000,  0.1260874700000000,  0.4530556200000000 ]
     mass: 15.999400
   - symbol: O  # 2
     coordinates: [  0.8879508200000000,  0.6260874700000000,  0.0469443800000000 ]
     mass: 15.999400
   - symbol: O  # 3
     coordinates: [  0.8879508200000000,  0.8739125300000000,  0.5469443800000000 ]
     mass: 15.999400
   - symbol: O  # 4
     coordinates: [  0.1120491800000000,  0.3739125300000000,  0.9530556200000000 ]
     mass: 15.999400
   - symbol: O  # 5
     coordinates: [  0.4102217800000000,  0.7563505000000000,  0.0536665500000000 ]
     mass: 15.999400
   - symbol: O  # 6
     coordinates: [  0.5897782200000000,  0.2563505000000000,  0.4463334500000000 ]
     mass: 15.999400
   - symbol: O  # 7
     coordinates: [  0.5897782200000000,  0.2436495000000000,  0.9463334500000000 ]
     mass: 15.999400
   - symbol: O  # 8
     coordinates: [  0.4102217800000000,  0.7436495000000000,  0.5536665500000000 ]
     mass: 15.999400
   - symbol: O  # 9
     coordinates: [  0.1185530300000000,  0.8677834300000000,  0.9934152900000000 ]
     mass: 15.999400
   - symbol: O  # 10
     coordinates: [  0.8814469700000001,  0.3677834300000000,  0.5065847100000000 ]
     mass: 15.999400
   - symbol: O  # 11
     coordinates: [  0.8814469700000001,  0.1322165700000000,  0.0065847100000000 ]
     mass: 15.999400
   - symbol: O  # 12
     coordinates: [  0.1185530300000000,  0.6322165700000000,  0.4934152900000000 ]
     mass: 15.999400
   - symbol: O  # 13
     coordinates: [  0.2911470600000000,  0.4251587700000000,  0.3663047700000000 ]
     mass: 15.999400
   - symbol: O  # 14
     coordinates: [  0.7088529400000000,  0.9251587700000000,  0.1336952300000000 ]
     mass: 15.999400
   - symbol: O  # 15
     coordinates: [  0.7088529400000000,  0.5748412300000000,  0.6336952300000001 ]
     mass: 15.999400
   - symbol: O  # 16
     coordinates: [  0.2911470600000000,  0.0748412300000000,  0.8663047699999999 ]
     mass: 15.999400
   - symbol: O  # 17
     coordinates: [  0.3665799000000000,  0.4616918300000000,  0.7539631200000000 ]
     mass: 15.999400
   - symbol: O  # 18
     coordinates: [  0.6334201000000000,  0.9616918300000000,  0.7460368800000000 ]
     mass: 15.999400
   - symbol: O  # 19
     coordinates: [  0.6334201000000000,  0.5383081700000000,  0.2460368800000000 ]
     mass: 15.999400
   - symbol: O  # 20
     coordinates: [  0.3665799000000000,  0.0383081700000000,  0.2539631200000000 ]
     mass: 15.999400
   - symbol: Si # 21
     coordinates: [  0.2989190900000000,  0.9238351299999999,  0.0425492800000000 ]
     mass: 28.085500
   - symbol: Si # 22
     coordinates: [  0.7010809099999999,  0.4238351300000000,  0.4574507200000000 ]
     mass: 28.085500
   - symbol: Si # 23
     coordinates: [  0.7010809099999999,  0.0761648700000000,  0.9574507200000000 ]
     mass: 28.085500
   - symbol: Si # 24
     coordinates: [  0.2989190900000000,  0.5761648700000001,  0.5425492800000000 ]
     mass: 28.085500
   - symbol: La # 25
     coordinates: [  0.9878323200000000,  0.8748742000000000,  0.2664856400000000 ]
     mass: 138.905470
   - symbol: La # 26
     coordinates: [  0.0121676800000000,  0.3748742000000000,  0.2335143600000000 ]
     mass: 138.905470
   - symbol: La # 27
     coordinates: [  0.0121676800000000,  0.1251258000000000,  0.7335143600000000 ]
     mass: 138.905470
   - symbol: La # 28
     coordinates: [  0.9878323200000000,  0.6251258000000000,  0.7664856400000000 ]
     mass: 138.905470
   - symbol: La # 29
     coordinates: [  0.3891385000000000,  0.3435559700000000,  0.0941522600000000 ]
     mass: 138.905470
   - symbol: La # 30
     coordinates: [  0.6108614999999999,  0.8435559700000000,  0.4058477400000000 ]
     mass: 138.905470
   - symbol: La # 31
     coordinates: [  0.6108614999999999,  0.6564440300000000,  0.9058477400000000 ]
     mass: 138.905470
   - symbol: La # 32
     coordinates: [  0.3891385000000000,  0.1564440300000000,  0.5941522600000000 ]
     mass: 138.905470
   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