Materials id 5280 / In2Ge2O7 / C2/m (12)
==============================================================================

- Date page updated: 2018-4-17
- Space group type: C2/m (12) / -C 2y
- Number of formula units (Z): 2
- Phonon raw data: :download:`mp-5280-20180417.tar.lzma <./mp-5280-20180417.tar.lzma>`
- Link to Materials Project: `https://www.materialsproject.org/materials/mp-5280/ <https://www.materialsproject.org/materials/mp-5280/>`_

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

.. image:: mp-5280-band.png

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

.. image:: mp-5280-dos.png

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

Imaginary modes are excluded if they exist.

.. image:: mp-5280-tprops.png

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

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

::

   lattice:
   - [     6.6567872299999999,     0.0000000000000000,     0.0225421500000000 ] # a
   - [     0.0000000000000000,     8.8694033799999996,     0.0000000000000000 ] # b
   - [    -1.0530081600000001,     0.0000000000000000,     4.8460929699999999 ] # c
   points:
   - symbol: O  # 1
     coordinates: [  0.2404336600000000,  0.8335012500000000,  0.2119987000000000 ]
     mass: 15.999400
   - symbol: O  # 2
     coordinates: [  0.7595663400000000,  0.8335012500000000,  0.7880013000000000 ]
     mass: 15.999400
   - symbol: O  # 3
     coordinates: [  0.7595663400000000,  0.1664987500000000,  0.7880013000000000 ]
     mass: 15.999400
   - symbol: O  # 4
     coordinates: [  0.2404336600000000,  0.1664987500000000,  0.2119987000000000 ]
     mass: 15.999400
   - symbol: O  # 5
     coordinates: [  0.0000000000000000,  0.0000000000000000,  0.5000000000000000 ]
     mass: 15.999400
   - symbol: O  # 6
     coordinates: [  0.4126665900000000,  0.0000000000000000,  0.7264072300000000 ]
     mass: 15.999400
   - symbol: O  # 7
     coordinates: [  0.5873334099999999,  0.0000000000000000,  0.2735927700000000 ]
     mass: 15.999400
   - symbol: O  # 8
     coordinates: [  0.7404336600000000,  0.3335012500000000,  0.2119987000000000 ]
     mass: 15.999400
   - symbol: O  # 9
     coordinates: [  0.2595663400000000,  0.3335012500000000,  0.7880013000000000 ]
     mass: 15.999400
   - symbol: O  # 10
     coordinates: [  0.2595663400000000,  0.6664987500000000,  0.7880013000000000 ]
     mass: 15.999400
   - symbol: O  # 11
     coordinates: [  0.7404336600000000,  0.6664987500000000,  0.2119987000000000 ]
     mass: 15.999400
   - symbol: O  # 12
     coordinates: [  0.5000000000000000,  0.5000000000000000,  0.5000000000000000 ]
     mass: 15.999400
   - symbol: O  # 13
     coordinates: [  0.9126665900000001,  0.5000000000000000,  0.7264072300000000 ]
     mass: 15.999400
   - symbol: O  # 14
     coordinates: [  0.0873334100000000,  0.5000000000000000,  0.2735927700000000 ]
     mass: 15.999400
   - symbol: Ge # 15
     coordinates: [  0.7635204000000000,  0.0000000000000000,  0.5939873000000000 ]
     mass: 72.640000
   - symbol: Ge # 16
     coordinates: [  0.2364796000000000,  0.0000000000000000,  0.4060127000000000 ]
     mass: 72.640000
   - symbol: Ge # 17
     coordinates: [  0.2635204000000000,  0.5000000000000000,  0.5939873000000000 ]
     mass: 72.640000
   - symbol: Ge # 18
     coordinates: [  0.7364796000000000,  0.5000000000000000,  0.4060127000000000 ]
     mass: 72.640000
   - symbol: In # 19
     coordinates: [  0.5000000000000000,  0.1929279300000000,  0.0000000000000000 ]
     mass: 114.818000
   - symbol: In # 20
     coordinates: [  0.5000000000000000,  0.8070720700000000,  0.0000000000000000 ]
     mass: 114.818000
   - symbol: In # 21
     coordinates: [  0.0000000000000000,  0.6929279300000000,  0.0000000000000000 ]
     mass: 114.818000
   - symbol: In # 22
     coordinates: [  0.0000000000000000,  0.3070720700000000,  0.0000000000000000 ]
     mass: 114.818000
   poscar_order:
   - 1
   - 2
   - 3
   - 4
   - 5
   - 6
   - 7
   - 8
   - 9
   - 10
   - 11
   - 12
   - 13
   - 14
   - 15
   - 16
   - 17
   - 18
   - 19
   - 20
   - 21
   - 22

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