Materials id 8070 / Li2BeSiO4 / 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-8070-20180417.tar.lzma <./mp-8070-20180417.tar.lzma>`
- Link to Materials Project: `https://www.materialsproject.org/materials/mp-8070/ <https://www.materialsproject.org/materials/mp-8070/>`_

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

.. image:: mp-8070-band.png

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

.. image:: mp-8070-dos.png

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

Imaginary modes are excluded if they exist.

.. image:: mp-8070-tprops.png

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

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

::

   lattice:
   - [     4.6956474300000002,     0.0000000000000000,     0.0000724200000000 ] # a
   - [     0.0000000000000000,     4.9381595799999998,     0.0000000000000000 ] # b
   - [    -4.6952579400000003,     0.0000000000000000,     6.0895252400000004 ] # c
   points:
   - symbol: Li # 1
     coordinates: [  0.4988465600000000,  0.8236799000000000,  0.5003960700000000 ]
     mass: 6.941000
   - symbol: Li # 2
     coordinates: [  0.4988465600000000,  0.1763201000000000,  0.0003960700000000 ]
     mass: 6.941000
   - symbol: Li # 3
     coordinates: [  0.7512355500000000,  0.6655039500000000,  0.2529800800000000 ]
     mass: 6.941000
   - symbol: Li # 4
     coordinates: [  0.7512355500000000,  0.3344960500000000,  0.7529800800000001 ]
     mass: 6.941000
   - symbol: Be # 5
     coordinates: [  0.2600442900000000,  0.6791237800000000,  0.7515538800000000 ]
     mass: 9.012182
   - symbol: Be # 6
     coordinates: [  0.2600442900000000,  0.3208762200000000,  0.2515538800000000 ]
     mass: 9.012182
   - symbol: O  # 7
     coordinates: [  0.3287261900000000,  0.8008504300000000,  0.9724677900000001 ]
     mass: 15.999400
   - symbol: O  # 8
     coordinates: [  0.6376151500000000,  0.3007411800000000,  0.2821296000000000 ]
     mass: 15.999400
   - symbol: O  # 9
     coordinates: [  0.9504468600000000,  0.1405858300000000,  0.0330420100000000 ]
     mass: 15.999400
   - symbol: O  # 10
     coordinates: [  0.3287261900000000,  0.1991495700000000,  0.4724677900000000 ]
     mass: 15.999400
   - symbol: O  # 11
     coordinates: [  0.9504468600000000,  0.8594141700000000,  0.5330420100000000 ]
     mass: 15.999400
   - symbol: O  # 12
     coordinates: [  0.1366847200000000,  0.6420290300000000,  0.2196827400000000 ]
     mass: 15.999400
   - symbol: O  # 13
     coordinates: [  0.1366847200000000,  0.3579709700000000,  0.7196827400000000 ]
     mass: 15.999400
   - symbol: O  # 14
     coordinates: [  0.6376151500000000,  0.6992588199999999,  0.7821296000000000 ]
     mass: 15.999400
   - symbol: Si # 15
     coordinates: [  0.0114007000000000,  0.8210279100000000,  0.0027478300000000 ]
     mass: 28.085500
   - symbol: Si # 16
     coordinates: [  0.0114007000000000,  0.1789720900000000,  0.5027478300000000 ]
     mass: 28.085500
   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