Materials id 16930 / Na3GeTe3 / 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-16930-20180417.tar.lzma <./mp-16930-20180417.tar.lzma>`
- Link to Materials Project: `https://www.materialsproject.org/materials/mp-16930/ <https://www.materialsproject.org/materials/mp-16930/>`_

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

.. image:: mp-16930-band.png

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

.. image:: mp-16930-dos.png

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

Imaginary modes are excluded if they exist.

.. image:: mp-16930-tprops.png

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

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

::

   lattice:
   - [     8.8535441200000005,     0.0000000000000000,    -0.0361608800000000 ] # a
   - [     0.0000000000000000,    12.7025253800000009,     0.0000000000000000 ] # b
   - [    -4.5050908999999999,     0.0000000000000000,     7.6687557100000001 ] # c
   points:
   - symbol: Na # 1
     coordinates: [  0.9963451300000000,  0.6512950800000000,  0.4853844200000000 ]
     mass: 22.989769
   - symbol: Na # 2
     coordinates: [  0.0036548700000000,  0.1512950800000000,  0.0146155800000000 ]
     mass: 22.989769
   - symbol: Na # 3
     coordinates: [  0.0036548700000000,  0.3487049200000000,  0.5146155800000000 ]
     mass: 22.989769
   - symbol: Na # 4
     coordinates: [  0.9963451300000000,  0.8487049200000000,  0.9853844200000000 ]
     mass: 22.989769
   - symbol: Na # 5
     coordinates: [  0.2236365700000000,  0.0576187100000000,  0.5300042900000000 ]
     mass: 22.989769
   - symbol: Na # 6
     coordinates: [  0.7763634300000000,  0.5576187100000000,  0.9699957100000000 ]
     mass: 22.989769
   - symbol: Na # 7
     coordinates: [  0.7763634300000000,  0.9423812900000000,  0.4699957100000000 ]
     mass: 22.989769
   - symbol: Na # 8
     coordinates: [  0.2236365700000000,  0.4423812900000000,  0.0300042900000000 ]
     mass: 22.989769
   - symbol: Na # 9
     coordinates: [  0.4659739600000000,  0.7712778700000000,  0.7153803700000000 ]
     mass: 22.989769
   - symbol: Na # 10
     coordinates: [  0.5340260400000000,  0.2712778700000000,  0.7846196300000000 ]
     mass: 22.989769
   - symbol: Na # 11
     coordinates: [  0.5340260400000000,  0.2287221300000000,  0.2846196300000000 ]
     mass: 22.989769
   - symbol: Na # 12
     coordinates: [  0.4659739600000000,  0.7287221300000000,  0.2153803700000000 ]
     mass: 22.989769
   - symbol: Ge # 13
     coordinates: [  0.3481072800000000,  0.0103311100000000,  0.9674008900000000 ]
     mass: 72.640000
   - symbol: Ge # 14
     coordinates: [  0.6518927200000000,  0.5103311100000000,  0.5325991100000000 ]
     mass: 72.640000
   - symbol: Ge # 15
     coordinates: [  0.6518927200000000,  0.9896688900000000,  0.0325991100000000 ]
     mass: 72.640000
   - symbol: Ge # 16
     coordinates: [  0.3481072800000000,  0.4896688900000000,  0.4674008900000000 ]
     mass: 72.640000
   - symbol: Te # 17
     coordinates: [  0.2452331100000000,  0.2003183300000000,  0.8606442600000000 ]
     mass: 127.600000
   - symbol: Te # 18
     coordinates: [  0.7547668900000000,  0.7003183300000000,  0.6393557400000000 ]
     mass: 127.600000
   - symbol: Te # 19
     coordinates: [  0.7547668900000000,  0.7996816700000000,  0.1393557400000000 ]
     mass: 127.600000
   - symbol: Te # 20
     coordinates: [  0.2452331100000000,  0.2996816700000000,  0.3606442600000000 ]
     mass: 127.600000
   - symbol: Te # 21
     coordinates: [  0.3554230800000000,  0.9761056500000000,  0.2572423800000000 ]
     mass: 127.600000
   - symbol: Te # 22
     coordinates: [  0.6445769200000000,  0.4761056500000000,  0.2427576200000000 ]
     mass: 127.600000
   - symbol: Te # 23
     coordinates: [  0.6445769200000000,  0.0238943500000000,  0.7427576200000000 ]
     mass: 127.600000
   - symbol: Te # 24
     coordinates: [  0.3554230800000000,  0.5238943500000000,  0.7572423800000000 ]
     mass: 127.600000
   - symbol: Te # 25
     coordinates: [  0.1569374400000000,  0.8693580800000000,  0.7391134400000000 ]
     mass: 127.600000
   - symbol: Te # 26
     coordinates: [  0.8430625600000000,  0.3693580800000000,  0.7608865600000000 ]
     mass: 127.600000
   - symbol: Te # 27
     coordinates: [  0.8430625600000000,  0.1306419200000000,  0.2608865600000000 ]
     mass: 127.600000
   - symbol: Te # 28
     coordinates: [  0.1569374400000000,  0.6306419200000000,  0.2391134400000000 ]
     mass: 127.600000
   poscar_order:
   - 1
   - 2
   - 3
   - 4
   - 5
   - 6
   - 7
   - 8
   - 9
   - 10
   - 11
   - 12
   - 13
   - 14
   - 15
   - 16
   - 17
   - 18
   - 19
   - 20
   - 21
   - 22
   - 23
   - 24
   - 25
   - 26
   - 27
   - 28

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