Materials id 8194 / Ba2GeP2 / 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-8194-20180417.tar.lzma <./mp-8194-20180417.tar.lzma>`
- Link to Materials Project: `https://www.materialsproject.org/materials/mp-8194/ <https://www.materialsproject.org/materials/mp-8194/>`_

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

.. image:: mp-8194-band.png

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

.. image:: mp-8194-dos.png

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

Imaginary modes are excluded if they exist.

.. image:: mp-8194-tprops.png

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

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

::

   lattice:
   - [     8.5126237400000004,     0.0000000000000000,     0.0107056700000000 ] # a
   - [     0.0000000000000000,     9.4686578200000007,     0.0000000000000000 ] # b
   - [    -2.0582117599999998,     0.0000000000000000,     7.1659179300000000 ] # c
   points:
   - symbol: P  # 1
     coordinates: [  0.7551627700000000,  0.0983831000000000,  0.8295370500000000 ]
     mass: 30.973762
   - symbol: P  # 2
     coordinates: [  0.2448372300000000,  0.5983830999999999,  0.6704629500000000 ]
     mass: 30.973762
   - symbol: P  # 3
     coordinates: [  0.2448372300000000,  0.9016169000000001,  0.1704629500000000 ]
     mass: 30.973762
   - symbol: P  # 4
     coordinates: [  0.7551627700000000,  0.4016169000000000,  0.3295370500000000 ]
     mass: 30.973762
   - symbol: P  # 5
     coordinates: [  0.7639806600000000,  0.5987420700000000,  0.8399662400000000 ]
     mass: 30.973762
   - symbol: P  # 6
     coordinates: [  0.2360193400000000,  0.0987420700000000,  0.6600337600000000 ]
     mass: 30.973762
   - symbol: P  # 7
     coordinates: [  0.2360193400000000,  0.4012579300000000,  0.1600337600000000 ]
     mass: 30.973762
   - symbol: P  # 8
     coordinates: [  0.7639806600000000,  0.9012579300000000,  0.3399662400000000 ]
     mass: 30.973762
   - symbol: Ge # 9
     coordinates: [  0.6439488799999999,  0.4678598100000000,  0.0254781900000000 ]
     mass: 72.640000
   - symbol: Ge # 10
     coordinates: [  0.3560511200000000,  0.9678598100000000,  0.4745218100000000 ]
     mass: 72.640000
   - symbol: Ge # 11
     coordinates: [  0.3560511200000000,  0.5321401900000000,  0.9745218100000000 ]
     mass: 72.640000
   - symbol: Ge # 12
     coordinates: [  0.6439488799999999,  0.0321401900000000,  0.5254781900000000 ]
     mass: 72.640000
   - symbol: Ba # 13
     coordinates: [  0.4786873500000000,  0.3374634500000000,  0.5994833200000000 ]
     mass: 137.327000
   - symbol: Ba # 14
     coordinates: [  0.5213126500000000,  0.8374634500000000,  0.9005166800000000 ]
     mass: 137.327000
   - symbol: Ba # 15
     coordinates: [  0.5213126500000000,  0.6625365500000000,  0.4005166800000000 ]
     mass: 137.327000
   - symbol: Ba # 16
     coordinates: [  0.4786873500000000,  0.1625365500000000,  0.0994833200000000 ]
     mass: 137.327000
   - symbol: Ba # 17
     coordinates: [  0.9934290000000000,  0.1418400900000000,  0.2400642700000000 ]
     mass: 137.327000
   - symbol: Ba # 18
     coordinates: [  0.0065710000000000,  0.6418400900000000,  0.2599357300000000 ]
     mass: 137.327000
   - symbol: Ba # 19
     coordinates: [  0.0065710000000000,  0.8581599100000000,  0.7599357300000000 ]
     mass: 137.327000
   - symbol: Ba # 20
     coordinates: [  0.9934290000000000,  0.3581599100000000,  0.7400642700000000 ]
     mass: 137.327000
   poscar_order:
   - 1
   - 2
   - 3
   - 4
   - 5
   - 6
   - 7
   - 8
   - 9
   - 10
   - 11
   - 12
   - 13
   - 14
   - 15
   - 16
   - 17
   - 18
   - 19
   - 20

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