Materials id 17830 / Rb3Ge4Au / Pmmn (59)
==============================================================================

- Date page updated: 2018-4-17
- Space group type: Pmmn (59) / P 2 2ab -1ab
- Number of formula units (Z): 2
- Phonon raw data: :download:`mp-17830-20180417.tar.lzma <./mp-17830-20180417.tar.lzma>`
- Link to Materials Project: `https://www.materialsproject.org/materials/mp-17830/ <https://www.materialsproject.org/materials/mp-17830/>`_

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

.. image:: mp-17830-band.png

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

.. image:: mp-17830-dos.png

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

Imaginary modes are excluded if they exist.

.. image:: mp-17830-tprops.png

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

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

::

   lattice:
   - [     6.7851058100000001,     0.0000000000000000,     0.0000000000000000 ] # a
   - [     0.0000000000000000,    12.4621993900000003,     0.0000000000000000 ] # b
   - [     0.0000000000000000,     0.0000000000000000,     6.1083892300000002 ] # c
   points:
   - symbol: Ge # 1
     coordinates: [  0.5000000000000000,  0.1099283800000000,  0.3268150000000000 ]
     mass: 72.640000
   - symbol: Ge # 2
     coordinates: [  0.5000000000000000,  0.8900716200000000,  0.3268150000000000 ]
     mass: 72.640000
   - symbol: Ge # 3
     coordinates: [  0.2980011800000000,  0.0000000000000000,  0.0573546400000000 ]
     mass: 72.640000
   - symbol: Ge # 4
     coordinates: [  0.7019988200000000,  0.0000000000000000,  0.0573546400000000 ]
     mass: 72.640000
   - symbol: Ge # 5
     coordinates: [  0.7980011800000000,  0.5000000000000000,  0.9426453600000000 ]
     mass: 72.640000
   - symbol: Ge # 6
     coordinates: [  0.2019988200000000,  0.5000000000000000,  0.9426453600000000 ]
     mass: 72.640000
   - symbol: Ge # 7
     coordinates: [  0.0000000000000000,  0.3900716200000000,  0.6731850000000000 ]
     mass: 72.640000
   - symbol: Ge # 8
     coordinates: [  0.0000000000000000,  0.6099283800000000,  0.6731850000000000 ]
     mass: 72.640000
   - symbol: Rb # 9
     coordinates: [  0.5000000000000000,  0.5000000000000000,  0.4305164100000000 ]
     mass: 85.467800
   - symbol: Rb # 10
     coordinates: [  0.0000000000000000,  0.0000000000000000,  0.5694835900000000 ]
     mass: 85.467800
   - symbol: Rb # 11
     coordinates: [  0.0000000000000000,  0.7640325000000000,  0.1674054200000000 ]
     mass: 85.467800
   - symbol: Rb # 12
     coordinates: [  0.0000000000000000,  0.2359675000000000,  0.1674054200000000 ]
     mass: 85.467800
   - symbol: Rb # 13
     coordinates: [  0.5000000000000000,  0.7359675000000000,  0.8325945800000000 ]
     mass: 85.467800
   - symbol: Rb # 14
     coordinates: [  0.5000000000000000,  0.2640325000000000,  0.8325945800000000 ]
     mass: 85.467800
   - symbol: Au # 15
     coordinates: [  0.5000000000000000,  0.0000000000000000,  0.6909847300000000 ]
     mass: 196.966569
   - symbol: Au # 16
     coordinates: [  0.0000000000000000,  0.5000000000000000,  0.3090152700000000 ]
     mass: 196.966569
   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