Materials id 8184 / Li2ZnGeO4 / Pc (7)
==============================================================================

- Date page updated: 2018-4-17
- Space group type: Pc (7) / P -2yc
- Number of formula units (Z): 2
- Phonon raw data: :download:`mp-8184-20180417.tar.lzma <./mp-8184-20180417.tar.lzma>`
- Link to Materials Project: `https://www.materialsproject.org/materials/mp-8184/ <https://www.materialsproject.org/materials/mp-8184/>`_

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

.. image:: mp-8184-band.png

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

.. image:: mp-8184-dos.png

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

Imaginary modes are excluded if they exist.

.. image:: mp-8184-tprops.png

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

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

::

   lattice:
   - [     5.0331294000000000,     0.0000000000000000,     0.0008641000000000 ] # a
   - [     0.0000000000000000,     5.4204444900000004,     0.0000000000000000 ] # b
   - [    -5.0090338299999999,     0.0000000000000000,     6.3387336100000002 ] # c
   points:
   - symbol: Li # 1
     coordinates: [  0.4981711000000000,  0.6645871500000000,  0.9998247400000000 ]
     mass: 6.941000
   - symbol: Li # 2
     coordinates: [  0.2470634700000000,  0.8286211300000000,  0.2482023700000000 ]
     mass: 6.941000
   - symbol: Li # 3
     coordinates: [  0.2470634700000000,  0.1713788700000000,  0.7482023700000000 ]
     mass: 6.941000
   - symbol: Li # 4
     coordinates: [  0.4981711000000000,  0.3354128500000000,  0.4998247400000000 ]
     mass: 6.941000
   - symbol: O  # 5
     coordinates: [  0.3553044500000000,  0.3250885400000000,  0.9997283500000000 ]
     mass: 15.999400
   - symbol: O  # 6
     coordinates: [  0.1212454200000000,  0.8224234000000000,  0.7296531100000000 ]
     mass: 15.999400
   - symbol: O  # 7
     coordinates: [  0.3553044500000000,  0.6749114600000000,  0.4997283500000000 ]
     mass: 15.999400
   - symbol: O  # 8
     coordinates: [  0.1212454200000000,  0.1775766000000000,  0.2296531100000000 ]
     mass: 15.999400
   - symbol: O  # 9
     coordinates: [  0.8894541700000000,  0.3603008500000000,  0.4997971200000000 ]
     mass: 15.999400
   - symbol: O  # 10
     coordinates: [  0.8894541700000000,  0.6396991500000000,  0.9997971200000000 ]
     mass: 15.999400
   - symbol: O  # 11
     coordinates: [  0.6592264400000000,  0.8213729000000000,  0.2701196700000000 ]
     mass: 15.999400
   - symbol: O  # 12
     coordinates: [  0.6592264400000000,  0.1786271000000000,  0.7701196700000000 ]
     mass: 15.999400
   - symbol: Zn # 13
     coordinates: [  0.7520529300000000,  0.8336303100000000,  0.7521077100000000 ]
     mass: 65.409000
   - symbol: Zn # 14
     coordinates: [  0.7520529300000000,  0.1663696900000000,  0.2521077100000000 ]
     mass: 65.409000
   - symbol: Ge # 15
     coordinates: [  0.0034820300000000,  0.6683914100000000,  0.4995669400000000 ]
     mass: 72.640000
   - symbol: Ge # 16
     coordinates: [  0.0034820300000000,  0.3316085900000000,  0.9995669400000000 ]
     mass: 72.640000
   poscar_order:
   - 1
   - 2
   - 3
   - 4
   - 5
   - 6
   - 7
   - 8
   - 9
   - 10
   - 11
   - 12
   - 13
   - 14
   - 15
   - 16

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