Materials id 9380 / SrGe4O9 / P321 (150)
==============================================================================

- Date page updated: 2018-4-17
- Space group type: P321 (150) / P 3 2"
- Number of formula units (Z): 3
- Phonon raw data: :download:`mp-9380-20180417.tar.lzma <./mp-9380-20180417.tar.lzma>`
- Link to Materials Project: `https://www.materialsproject.org/materials/mp-9380/ <https://www.materialsproject.org/materials/mp-9380/>`_

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

.. image:: mp-9380-band.png

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

.. image:: mp-9380-dos.png

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

Imaginary modes are excluded if they exist.

.. image:: mp-9380-tprops.png

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

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

::

   lattice:
   - [    11.3322085000000001,     0.0000000000000000,     0.0000000000000000 ] # a
   - [    -5.6661042500000001,     9.8139804500000007,     0.0000000000000000 ] # b
   - [     0.0000000000000000,     0.0000000000000000,     4.7932448599999997 ] # c
   points:
   - symbol: O  # 1
     coordinates: [  0.4906552500000000,  0.7524770000000000,  0.6718768300000000 ]
     mass: 15.999400
   - symbol: O  # 2
     coordinates: [  0.2618217500000000,  0.5093447500000000,  0.6718768300000000 ]
     mass: 15.999400
   - symbol: O  # 3
     coordinates: [  0.2475230000000000,  0.7381782500000000,  0.6718768300000000 ]
     mass: 15.999400
   - symbol: O  # 4
     coordinates: [  0.5093447500000000,  0.2618217500000000,  0.3281231700000000 ]
     mass: 15.999400
   - symbol: O  # 5
     coordinates: [  0.7381782500000000,  0.2475230000000000,  0.3281231700000000 ]
     mass: 15.999400
   - symbol: O  # 6
     coordinates: [  0.7524770000000000,  0.4906552500000000,  0.3281231700000000 ]
     mass: 15.999400
   - symbol: O  # 7
     coordinates: [  0.6751875600000000,  0.7852549200000000,  0.2912595200000000 ]
     mass: 15.999400
   - symbol: O  # 8
     coordinates: [  0.1100673600000000,  0.3248124400000000,  0.2912595200000000 ]
     mass: 15.999400
   - symbol: O  # 9
     coordinates: [  0.2147450800000000,  0.8899326400000001,  0.2912595200000000 ]
     mass: 15.999400
   - symbol: O  # 10
     coordinates: [  0.3248124400000000,  0.1100673600000000,  0.7087404800000000 ]
     mass: 15.999400
   - symbol: O  # 11
     coordinates: [  0.8899326400000001,  0.2147450800000000,  0.7087404800000000 ]
     mass: 15.999400
   - symbol: O  # 12
     coordinates: [  0.7852549200000000,  0.6751875600000000,  0.7087404800000000 ]
     mass: 15.999400
   - symbol: O  # 13
     coordinates: [  0.8449410000000001,  0.9412996000000000,  0.7621247300000000 ]
     mass: 15.999400
   - symbol: O  # 14
     coordinates: [  0.0963586100000000,  0.1550590000000000,  0.7621247300000000 ]
     mass: 15.999400
   - symbol: O  # 15
     coordinates: [  0.0587004000000000,  0.9036413900000000,  0.7621247300000000 ]
     mass: 15.999400
   - symbol: O  # 16
     coordinates: [  0.0000000000000000,  0.4908398200000000,  0.5000000000000000 ]
     mass: 15.999400
   - symbol: O  # 17
     coordinates: [  0.4908398200000000,  0.0000000000000000,  0.5000000000000000 ]
     mass: 15.999400
   - symbol: O  # 18
     coordinates: [  0.5091601800000000,  0.5091601800000000,  0.5000000000000000 ]
     mass: 15.999400
   - symbol: O  # 19
     coordinates: [  0.5746413800000000,  0.3952289900000000,  0.8772281800000000 ]
     mass: 15.999400
   - symbol: O  # 20
     coordinates: [  0.8205876200000000,  0.4253586200000000,  0.8772281800000000 ]
     mass: 15.999400
   - symbol: O  # 21
     coordinates: [  0.6047710100000000,  0.1794123800000000,  0.8772281800000000 ]
     mass: 15.999400
   - symbol: O  # 22
     coordinates: [  0.4253586200000000,  0.8205876200000000,  0.1227718200000000 ]
     mass: 15.999400
   - symbol: O  # 23
     coordinates: [  0.1794123800000000,  0.6047710100000000,  0.1227718200000000 ]
     mass: 15.999400
   - symbol: O  # 24
     coordinates: [  0.3952289900000000,  0.5746413800000000,  0.1227718200000000 ]
     mass: 15.999400
   - symbol: O  # 25
     coordinates: [  0.9412996000000000,  0.8449410000000001,  0.2378752700000000 ]
     mass: 15.999400
   - symbol: O  # 26
     coordinates: [  0.9036413900000000,  0.0587004000000000,  0.2378752700000000 ]
     mass: 15.999400
   - symbol: O  # 27
     coordinates: [  0.1550590000000000,  0.0963586100000000,  0.2378752700000000 ]
     mass: 15.999400
   - symbol: Ge # 28
     coordinates: [  0.5081252800000000,  0.6588702300000000,  0.3996772600000000 ]
     mass: 72.640000
   - symbol: Ge # 29
     coordinates: [  0.1507449500000000,  0.4918747200000000,  0.3996772600000000 ]
     mass: 72.640000
   - symbol: Ge # 30
     coordinates: [  0.3411297700000000,  0.8492550500000000,  0.3996772600000000 ]
     mass: 72.640000
   - symbol: Ge # 31
     coordinates: [  0.4918747200000000,  0.1507449500000000,  0.6003227400000000 ]
     mass: 72.640000
   - symbol: Ge # 32
     coordinates: [  0.8492550500000000,  0.3411297700000000,  0.6003227400000000 ]
     mass: 72.640000
   - symbol: Ge # 33
     coordinates: [  0.6588702300000000,  0.5081252800000000,  0.6003227400000000 ]
     mass: 72.640000
   - symbol: Ge # 34
     coordinates: [  0.8212125000000000,  0.8212125000000000,  0.5000000000000000 ]
     mass: 72.640000
   - symbol: Ge # 35
     coordinates: [  0.1787875000000000,  0.0000000000000000,  0.5000000000000000 ]
     mass: 72.640000
   - symbol: Ge # 36
     coordinates: [  0.0000000000000000,  0.1787875000000000,  0.5000000000000000 ]
     mass: 72.640000
   - symbol: Ge # 37
     coordinates: [  0.6666666700000000,  0.3333333300000000,  0.1072440000000000 ]
     mass: 72.640000
   - symbol: Ge # 38
     coordinates: [  0.3333333300000000,  0.6666666700000000,  0.8927560000000000 ]
     mass: 72.640000
   - symbol: Ge # 39
     coordinates: [  0.0000000000000000,  0.0000000000000000,  0.0000000000000000 ]
     mass: 72.640000
   - symbol: Sr # 40
     coordinates: [  0.3268351800000000,  0.3268351800000000,  0.0000000000000000 ]
     mass: 87.620000
   - symbol: Sr # 41
     coordinates: [  0.6731648200000000,  0.0000000000000000,  0.0000000000000000 ]
     mass: 87.620000
   - symbol: Sr # 42
     coordinates: [  0.0000000000000000,  0.6731648200000000,  0.0000000000000000 ]
     mass: 87.620000
   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
   - 33
   - 34
   - 35
   - 36
   - 37
   - 38
   - 39
   - 40
   - 41
   - 42

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