Materials id 9588 / LiP / P2_1/c (14)
==============================================================================

- Date page updated: 2018-4-17
- Space group type: P2_1/c (14) / -P 2ybc
- Number of formula units (Z): 8
- Phonon raw data: :download:`mp-9588-20180417.tar.lzma <./mp-9588-20180417.tar.lzma>`
- Link to Materials Project: `https://www.materialsproject.org/materials/mp-9588/ <https://www.materialsproject.org/materials/mp-9588/>`_

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

.. image:: mp-9588-band.png

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

.. image:: mp-9588-dos.png

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

Imaginary modes are excluded if they exist.

.. image:: mp-9588-tprops.png

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

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

::

   lattice:
   - [     5.5330815199999996,     0.0000000000000000,     0.0022616900000000 ] # a
   - [     0.0000000000000000,     4.9239417599999999,     0.0000000000000000 ] # b
   - [    -4.7807573200000002,     0.0000000000000000,     8.8994256600000003 ] # c
   points:
   - symbol: Li # 1
     coordinates: [  0.2834639800000000,  0.3881942300000000,  0.6721425599999999 ]
     mass: 6.941000
   - symbol: Li # 2
     coordinates: [  0.7165360200000001,  0.8881942300000000,  0.8278574400000001 ]
     mass: 6.941000
   - symbol: Li # 3
     coordinates: [  0.7165360200000001,  0.6118057700000000,  0.3278574400000000 ]
     mass: 6.941000
   - symbol: Li # 4
     coordinates: [  0.2834639800000000,  0.1118057700000000,  0.1721425600000000 ]
     mass: 6.941000
   - symbol: Li # 5
     coordinates: [  0.2748980700000000,  0.6572005100000000,  0.9704827000000000 ]
     mass: 6.941000
   - symbol: Li # 6
     coordinates: [  0.7251019300000000,  0.1572005100000000,  0.5295173000000000 ]
     mass: 6.941000
   - symbol: Li # 7
     coordinates: [  0.7251019300000000,  0.3427994900000000,  0.0295173000000000 ]
     mass: 6.941000
   - symbol: Li # 8
     coordinates: [  0.2748980700000000,  0.8427994900000000,  0.4704827000000000 ]
     mass: 6.941000
   - symbol: P  # 9
     coordinates: [  0.1836786900000000,  0.8931528600000000,  0.7063895800000000 ]
     mass: 30.973762
   - symbol: P  # 10
     coordinates: [  0.8163213100000000,  0.3931528600000000,  0.7936104200000000 ]
     mass: 30.973762
   - symbol: P  # 11
     coordinates: [  0.8163213100000000,  0.1068471400000000,  0.2936104200000000 ]
     mass: 30.973762
   - symbol: P  # 12
     coordinates: [  0.1836786900000000,  0.6068471400000000,  0.2063895800000000 ]
     mass: 30.973762
   - symbol: P  # 13
     coordinates: [  0.2001505900000000,  0.1547483900000000,  0.8899600700000000 ]
     mass: 30.973762
   - symbol: P  # 14
     coordinates: [  0.7998494100000000,  0.6547483900000000,  0.6100399300000000 ]
     mass: 30.973762
   - symbol: P  # 15
     coordinates: [  0.7998494100000000,  0.8452516100000000,  0.1100399300000000 ]
     mass: 30.973762
   - symbol: P  # 16
     coordinates: [  0.2001505900000000,  0.3452516100000000,  0.3899600700000000 ]
     mass: 30.973762
   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