Materials id 16610 / Ge3Os2 / Pbcn (60)
==============================================================================

- Date page updated: 2018-4-17
- Space group type: Pbcn (60) / -P 2n 2ab
- Number of formula units (Z): 8
- Phonon raw data: :download:`mp-16610-20180417.tar.lzma <./mp-16610-20180417.tar.lzma>`
- Link to Materials Project: `https://www.materialsproject.org/materials/mp-16610/ <https://www.materialsproject.org/materials/mp-16610/>`_

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

.. image:: mp-16610-band.png

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

.. image:: mp-16610-dos.png

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

Imaginary modes are excluded if they exist.

.. image:: mp-16610-tprops.png

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

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

::

   lattice:
   - [    11.4862851900000003,     0.0000000000000000,     0.0000000000000000 ] # a
   - [     0.0000000000000000,     9.2465275699999996,     0.0000000000000000 ] # b
   - [     0.0000000000000000,     0.0000000000000000,     5.7473257499999999 ] # c
   points:
   - symbol: Ge # 1
     coordinates: [  0.3683173500000000,  0.1056782800000000,  0.6014413300000000 ]
     mass: 72.640000
   - symbol: Ge # 2
     coordinates: [  0.1316826500000000,  0.3943217200000000,  0.1014413300000000 ]
     mass: 72.640000
   - symbol: Ge # 3
     coordinates: [  0.6316826500000000,  0.1056782800000000,  0.8985586700000000 ]
     mass: 72.640000
   - symbol: Ge # 4
     coordinates: [  0.8683173500000000,  0.3943217200000000,  0.3985586700000000 ]
     mass: 72.640000
   - symbol: Ge # 5
     coordinates: [  0.6316826500000000,  0.8943217200000000,  0.3985586700000000 ]
     mass: 72.640000
   - symbol: Ge # 6
     coordinates: [  0.8683173500000000,  0.6056782800000000,  0.8985586700000000 ]
     mass: 72.640000
   - symbol: Ge # 7
     coordinates: [  0.3683173500000000,  0.8943217200000000,  0.1014413300000000 ]
     mass: 72.640000
   - symbol: Ge # 8
     coordinates: [  0.1316826500000000,  0.6056782800000000,  0.6014413300000000 ]
     mass: 72.640000
   - symbol: Ge # 9
     coordinates: [  0.1786175300000000,  0.0654642500000000,  0.9100091500000000 ]
     mass: 72.640000
   - symbol: Ge # 10
     coordinates: [  0.3213824700000000,  0.4345357500000000,  0.4100091500000000 ]
     mass: 72.640000
   - symbol: Ge # 11
     coordinates: [  0.8213824700000000,  0.0654642500000000,  0.5899908500000000 ]
     mass: 72.640000
   - symbol: Ge # 12
     coordinates: [  0.6786175300000000,  0.4345357500000000,  0.0899908500000000 ]
     mass: 72.640000
   - symbol: Ge # 13
     coordinates: [  0.8213824700000000,  0.9345357500000000,  0.0899908500000000 ]
     mass: 72.640000
   - symbol: Ge # 14
     coordinates: [  0.6786175300000000,  0.5654642500000000,  0.5899908500000000 ]
     mass: 72.640000
   - symbol: Ge # 15
     coordinates: [  0.1786175300000000,  0.9345357500000000,  0.4100091500000000 ]
     mass: 72.640000
   - symbol: Ge # 16
     coordinates: [  0.3213824700000000,  0.5654642500000000,  0.9100091500000000 ]
     mass: 72.640000
   - symbol: Ge # 17
     coordinates: [  0.4268951400000000,  0.7132172900000000,  0.5428642700000000 ]
     mass: 72.640000
   - symbol: Ge # 18
     coordinates: [  0.0731048600000000,  0.7867827100000000,  0.0428642700000000 ]
     mass: 72.640000
   - symbol: Ge # 19
     coordinates: [  0.5731048600000000,  0.7132172900000000,  0.9571357300000000 ]
     mass: 72.640000
   - symbol: Ge # 20
     coordinates: [  0.9268951400000000,  0.7867827100000000,  0.4571357300000000 ]
     mass: 72.640000
   - symbol: Ge # 21
     coordinates: [  0.5731048600000000,  0.2867827100000000,  0.4571357300000000 ]
     mass: 72.640000
   - symbol: Ge # 22
     coordinates: [  0.9268951400000000,  0.2132172900000000,  0.9571357300000000 ]
     mass: 72.640000
   - symbol: Ge # 23
     coordinates: [  0.4268951400000000,  0.2867827100000000,  0.0428642700000000 ]
     mass: 72.640000
   - symbol: Ge # 24
     coordinates: [  0.0731048600000000,  0.2132172900000000,  0.5428642700000000 ]
     mass: 72.640000
   - symbol: Os # 25
     coordinates: [  0.5000000000000000,  0.9255178400000000,  0.7500000000000000 ]
     mass: 190.230000
   - symbol: Os # 26
     coordinates: [  0.0000000000000000,  0.5744821600000000,  0.2500000000000000 ]
     mass: 190.230000
   - symbol: Os # 27
     coordinates: [  0.5000000000000000,  0.0744821600000000,  0.2500000000000000 ]
     mass: 190.230000
   - symbol: Os # 28
     coordinates: [  0.0000000000000000,  0.4255178400000000,  0.7500000000000000 ]
     mass: 190.230000
   - symbol: Os # 29
     coordinates: [  0.5000000000000000,  0.4598880200000000,  0.7500000000000000 ]
     mass: 190.230000
   - symbol: Os # 30
     coordinates: [  0.0000000000000000,  0.0401119800000000,  0.2500000000000000 ]
     mass: 190.230000
   - symbol: Os # 31
     coordinates: [  0.5000000000000000,  0.5401119800000000,  0.2500000000000000 ]
     mass: 190.230000
   - symbol: Os # 32
     coordinates: [  0.0000000000000000,  0.9598880200000000,  0.7500000000000000 ]
     mass: 190.230000
   - symbol: Os # 33
     coordinates: [  0.2539980700000000,  0.3133799200000000,  0.7603109400000000 ]
     mass: 190.230000
   - symbol: Os # 34
     coordinates: [  0.2460019300000000,  0.1866200800000000,  0.2603109400000000 ]
     mass: 190.230000
   - symbol: Os # 35
     coordinates: [  0.7460019300000000,  0.3133799200000000,  0.7396890600000000 ]
     mass: 190.230000
   - symbol: Os # 36
     coordinates: [  0.7539980700000000,  0.1866200800000000,  0.2396890600000000 ]
     mass: 190.230000
   - symbol: Os # 37
     coordinates: [  0.7460019300000000,  0.6866200800000000,  0.2396890600000000 ]
     mass: 190.230000
   - symbol: Os # 38
     coordinates: [  0.7539980700000000,  0.8133799200000000,  0.7396890600000000 ]
     mass: 190.230000
   - symbol: Os # 39
     coordinates: [  0.2539980700000000,  0.6866200800000000,  0.2603109400000000 ]
     mass: 190.230000
   - symbol: Os # 40
     coordinates: [  0.2460019300000000,  0.8133799200000000,  0.7603109400000000 ]
     mass: 190.230000
   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

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