Materials id 6526 / NaGeSbO5 / C2/c (15)
==============================================================================

- Date page updated: 2018-4-17
- Space group type: C2/c (15) / -C 2yc
- Number of formula units (Z): 4
- Phonon raw data: :download:`mp-6526-20180417.tar.lzma <./mp-6526-20180417.tar.lzma>`
- Link to Materials Project: `https://www.materialsproject.org/materials/mp-6526/ <https://www.materialsproject.org/materials/mp-6526/>`_

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

.. image:: mp-6526-band.png

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

.. image:: mp-6526-dos.png

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

Imaginary modes are excluded if they exist.

.. image:: mp-6526-tprops.png

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

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

::

   lattice:
   - [     6.7576577799999997,     0.0000000000000000,     0.0067104500000000 ] # a
   - [     0.0000000000000000,     8.9437902200000003,     0.0000000000000000 ] # b
   - [    -3.0706091600000001,     0.0000000000000000,     6.5910469500000000 ] # c
   points:
   - symbol: O  # 1
     coordinates: [  0.5000000000000000,  0.4188569700000000,  0.2500000000000000 ]
     mass: 15.999400
   - symbol: O  # 2
     coordinates: [  0.5000000000000000,  0.5811430300000000,  0.7500000000000000 ]
     mass: 15.999400
   - symbol: O  # 3
     coordinates: [  0.3872051300000000,  0.2981451900000000,  0.8827358800000000 ]
     mass: 15.999400
   - symbol: O  # 4
     coordinates: [  0.6127948700000000,  0.2981451900000000,  0.6172641200000000 ]
     mass: 15.999400
   - symbol: O  # 5
     coordinates: [  0.6127948700000000,  0.7018548100000001,  0.1172641200000000 ]
     mass: 15.999400
   - symbol: O  # 6
     coordinates: [  0.3872051300000000,  0.7018548100000001,  0.3827358800000000 ]
     mass: 15.999400
   - symbol: O  # 7
     coordinates: [  0.3088405200000000,  0.9358213399999999,  0.0763532000000000 ]
     mass: 15.999400
   - symbol: O  # 8
     coordinates: [  0.6911594800000000,  0.9358213399999999,  0.4236468000000000 ]
     mass: 15.999400
   - symbol: O  # 9
     coordinates: [  0.6911594800000000,  0.0641786600000000,  0.9236468000000000 ]
     mass: 15.999400
   - symbol: O  # 10
     coordinates: [  0.3088405200000000,  0.0641786600000000,  0.5763532000000000 ]
     mass: 15.999400
   - symbol: O  # 11
     coordinates: [  0.0000000000000000,  0.9188569700000000,  0.2500000000000000 ]
     mass: 15.999400
   - symbol: O  # 12
     coordinates: [  0.0000000000000000,  0.0811430300000000,  0.7500000000000000 ]
     mass: 15.999400
   - symbol: O  # 13
     coordinates: [  0.8872051300000000,  0.7981451899999999,  0.8827358800000000 ]
     mass: 15.999400
   - symbol: O  # 14
     coordinates: [  0.1127948700000000,  0.7981451899999999,  0.6172641200000000 ]
     mass: 15.999400
   - symbol: O  # 15
     coordinates: [  0.1127948700000000,  0.2018548100000000,  0.1172641200000000 ]
     mass: 15.999400
   - symbol: O  # 16
     coordinates: [  0.8872051300000000,  0.2018548100000000,  0.3827358800000000 ]
     mass: 15.999400
   - symbol: O  # 17
     coordinates: [  0.8088405200000000,  0.4358213400000000,  0.0763532000000000 ]
     mass: 15.999400
   - symbol: O  # 18
     coordinates: [  0.1911594800000000,  0.4358213400000000,  0.4236468000000000 ]
     mass: 15.999400
   - symbol: O  # 19
     coordinates: [  0.1911594800000000,  0.5641786600000001,  0.9236468000000000 ]
     mass: 15.999400
   - symbol: O  # 20
     coordinates: [  0.8088405200000000,  0.5641786600000001,  0.5763532000000000 ]
     mass: 15.999400
   - symbol: Na # 21
     coordinates: [  0.5000000000000000,  0.1652429100000000,  0.2500000000000000 ]
     mass: 22.989769
   - symbol: Na # 22
     coordinates: [  0.5000000000000000,  0.8347570900000000,  0.7500000000000000 ]
     mass: 22.989769
   - symbol: Na # 23
     coordinates: [  0.0000000000000000,  0.6652429100000000,  0.2500000000000000 ]
     mass: 22.989769
   - symbol: Na # 24
     coordinates: [  0.0000000000000000,  0.3347570900000000,  0.7500000000000000 ]
     mass: 22.989769
   - symbol: Ge # 25
     coordinates: [  0.5000000000000000,  0.1875243400000000,  0.7500000000000000 ]
     mass: 72.640000
   - symbol: Ge # 26
     coordinates: [  0.5000000000000000,  0.8124756600000000,  0.2500000000000000 ]
     mass: 72.640000
   - symbol: Ge # 27
     coordinates: [  0.0000000000000000,  0.6875243400000000,  0.7500000000000000 ]
     mass: 72.640000
   - symbol: Ge # 28
     coordinates: [  0.0000000000000000,  0.3124756600000000,  0.2500000000000000 ]
     mass: 72.640000
   - symbol: Sb # 29
     coordinates: [  0.5000000000000000,  0.5000000000000000,  0.0000000000000000 ]
     mass: 121.760000
   - symbol: Sb # 30
     coordinates: [  0.0000000000000000,  0.0000000000000000,  0.5000000000000000 ]
     mass: 121.760000
   - symbol: Sb # 31
     coordinates: [  0.0000000000000000,  0.0000000000000000,  0.0000000000000000 ]
     mass: 121.760000
   - symbol: Sb # 32
     coordinates: [  0.5000000000000000,  0.5000000000000000,  0.5000000000000000 ]
     mass: 121.760000
   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
   - 29
   - 30
   - 31
   - 32

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