Materials id 17288 / Li2ZnSiO4 / 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-17288-20180417.tar.lzma <./mp-17288-20180417.tar.lzma>`
- Link to Materials Project: `https://www.materialsproject.org/materials/mp-17288/ <https://www.materialsproject.org/materials/mp-17288/>`_

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

.. image:: mp-17288-band.png

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

.. image:: mp-17288-dos.png

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

Imaginary modes are excluded if they exist.

.. image:: mp-17288-tprops.png

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

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

::

   lattice:
   - [     5.0305364399999997,     0.0000000000000000,     0.0021852800000000 ] # a
   - [     0.0000000000000000,    10.6120972299999998,     0.0000000000000000 ] # b
   - [    -4.9677441199999999,     0.0000000000000000,     6.2525655699999998 ] # c
   points:
   - symbol: Li # 1
     coordinates: [  0.3166605200000000,  0.3362899400000000,  0.0064754800000000 ]
     mass: 6.941000
   - symbol: Li # 2
     coordinates: [  0.4615542000000000,  0.4235350600000000,  0.7592716400000000 ]
     mass: 6.941000
   - symbol: Li # 3
     coordinates: [  0.5384458000000000,  0.9235350600000000,  0.7407283600000000 ]
     mass: 6.941000
   - symbol: Li # 4
     coordinates: [  0.5384458000000000,  0.5764649400000000,  0.2407283600000000 ]
     mass: 6.941000
   - symbol: Li # 5
     coordinates: [  0.4615542000000000,  0.0764649400000000,  0.2592716400000000 ]
     mass: 6.941000
   - symbol: Li # 6
     coordinates: [  0.6833394800000000,  0.8362899400000000,  0.4935245200000000 ]
     mass: 6.941000
   - symbol: Li # 7
     coordinates: [  0.6833394800000000,  0.6637100600000000,  0.9935245200000000 ]
     mass: 6.941000
   - symbol: Li # 8
     coordinates: [  0.3166605200000000,  0.1637100600000000,  0.5064754800000000 ]
     mass: 6.941000
   - symbol: O  # 9
     coordinates: [  0.1760158700000000,  0.3397057400000000,  0.4707610600000000 ]
     mass: 15.999400
   - symbol: O  # 10
     coordinates: [  0.8239841300000000,  0.8397057400000000,  0.0292389400000000 ]
     mass: 15.999400
   - symbol: O  # 11
     coordinates: [  0.8239841300000000,  0.6602942600000000,  0.5292389400000000 ]
     mass: 15.999400
   - symbol: O  # 12
     coordinates: [  0.7428149400000000,  0.1607163800000000,  0.5382412200000000 ]
     mass: 15.999400
   - symbol: O  # 13
     coordinates: [  0.1760158700000000,  0.1602942600000000,  0.9707610600000000 ]
     mass: 15.999400
   - symbol: O  # 14
     coordinates: [  0.7428149400000000,  0.3392836200000000,  0.0382412200000000 ]
     mass: 15.999400
   - symbol: O  # 15
     coordinates: [  0.2571850600000000,  0.8392836200000000,  0.4617587800000000 ]
     mass: 15.999400
   - symbol: O  # 16
     coordinates: [  0.2571850600000000,  0.6607163800000000,  0.9617587800000000 ]
     mass: 15.999400
   - symbol: O  # 17
     coordinates: [  0.3938818000000000,  0.4107461800000000,  0.2539141600000000 ]
     mass: 15.999400
   - symbol: O  # 18
     coordinates: [  0.6061182000000001,  0.9107461800000000,  0.2460858400000000 ]
     mass: 15.999400
   - symbol: O  # 19
     coordinates: [  0.6061182000000001,  0.5892538200000000,  0.7460858400000000 ]
     mass: 15.999400
   - symbol: O  # 20
     coordinates: [  0.3938818000000000,  0.0892538200000000,  0.7539141600000000 ]
     mass: 15.999400
   - symbol: O  # 21
     coordinates: [  0.9466781399999999,  0.5579095200000000,  0.2440661300000000 ]
     mass: 15.999400
   - symbol: O  # 22
     coordinates: [  0.0533218600000000,  0.0579095200000000,  0.2559338700000000 ]
     mass: 15.999400
   - symbol: O  # 23
     coordinates: [  0.0533218600000000,  0.4420904800000000,  0.7559338700000000 ]
     mass: 15.999400
   - symbol: O  # 24
     coordinates: [  0.9466781399999999,  0.9420904800000000,  0.7440661300000000 ]
     mass: 15.999400
   - symbol: Si # 25
     coordinates: [  0.0655182800000000,  0.0875694800000000,  0.7535079600000000 ]
     mass: 28.085500
   - symbol: Si # 26
     coordinates: [  0.9344817200000000,  0.5875694800000000,  0.7464920400000000 ]
     mass: 28.085500
   - symbol: Si # 27
     coordinates: [  0.9344817200000000,  0.9124305200000000,  0.2464920400000000 ]
     mass: 28.085500
   - symbol: Si # 28
     coordinates: [  0.0655182800000000,  0.4124305200000000,  0.2535079600000000 ]
     mass: 28.085500
   - symbol: Zn # 29
     coordinates: [  0.8103305300000000,  0.3352970400000000,  0.5008641100000000 ]
     mass: 65.409000
   - symbol: Zn # 30
     coordinates: [  0.1896694700000000,  0.8352970400000000,  0.9991358900000000 ]
     mass: 65.409000
   - symbol: Zn # 31
     coordinates: [  0.1896694700000000,  0.6647029600000000,  0.4991358900000000 ]
     mass: 65.409000
   - symbol: Zn # 32
     coordinates: [  0.8103305300000000,  0.1647029600000000,  0.0008641100000000 ]
     mass: 65.409000
   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