Materials id 8965 / K2Sn2S5 / 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-8965-20180417.tar.lzma <./mp-8965-20180417.tar.lzma>`
- Link to Materials Project: `https://www.materialsproject.org/materials/mp-8965/ <https://www.materialsproject.org/materials/mp-8965/>`_

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

.. image:: mp-8965-band.png

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

.. image:: mp-8965-dos.png

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

Imaginary modes are excluded if they exist.

.. image:: mp-8965-tprops.png

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

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

::

   lattice:
   - [    11.0264540400000008,     0.0000000000000000,     0.0119856700000000 ] # a
   - [     0.0000000000000000,     7.8259758100000001,     0.0000000000000000 ] # b
   - [    -3.5526689500000002,     0.0000000000000000,    10.9625861699999998 ] # c
   points:
   - symbol: S  # 1
     coordinates: [  0.6942770000000000,  0.9488443300000000,  0.0381570000000000 ]
     mass: 32.065000
   - symbol: S  # 2
     coordinates: [  0.3057230000000000,  0.9488443300000000,  0.4618430000000000 ]
     mass: 32.065000
   - symbol: S  # 3
     coordinates: [  0.3057230000000000,  0.0511556700000000,  0.9618430000000000 ]
     mass: 32.065000
   - symbol: S  # 4
     coordinates: [  0.6942770000000000,  0.0511556700000000,  0.5381570000000000 ]
     mass: 32.065000
   - symbol: S  # 5
     coordinates: [  0.5000000000000000,  0.1804493100000000,  0.2500000000000000 ]
     mass: 32.065000
   - symbol: S  # 6
     coordinates: [  0.5000000000000000,  0.8195506900000000,  0.7500000000000000 ]
     mass: 32.065000
   - symbol: S  # 7
     coordinates: [  0.4829541000000000,  0.3679732200000000,  0.8805830100000001 ]
     mass: 32.065000
   - symbol: S  # 8
     coordinates: [  0.5170458999999999,  0.3679732200000000,  0.6194169899999999 ]
     mass: 32.065000
   - symbol: S  # 9
     coordinates: [  0.4829541000000000,  0.6320267800000000,  0.3805830100000000 ]
     mass: 32.065000
   - symbol: S  # 10
     coordinates: [  0.5170458999999999,  0.6320267800000000,  0.1194169900000000 ]
     mass: 32.065000
   - symbol: S  # 11
     coordinates: [  0.1942770000000000,  0.4488443300000000,  0.0381570000000000 ]
     mass: 32.065000
   - symbol: S  # 12
     coordinates: [  0.8057230000000000,  0.4488443300000000,  0.4618430000000000 ]
     mass: 32.065000
   - symbol: S  # 13
     coordinates: [  0.8057230000000000,  0.5511556700000000,  0.9618430000000000 ]
     mass: 32.065000
   - symbol: S  # 14
     coordinates: [  0.1942770000000000,  0.5511556700000000,  0.5381570000000000 ]
     mass: 32.065000
   - symbol: S  # 15
     coordinates: [  0.0000000000000000,  0.6804493100000000,  0.2500000000000000 ]
     mass: 32.065000
   - symbol: S  # 16
     coordinates: [  0.0000000000000000,  0.3195506900000000,  0.7500000000000000 ]
     mass: 32.065000
   - symbol: S  # 17
     coordinates: [  0.9829541000000001,  0.8679732200000000,  0.8805830100000001 ]
     mass: 32.065000
   - symbol: S  # 18
     coordinates: [  0.0170459000000000,  0.8679732200000000,  0.6194169899999999 ]
     mass: 32.065000
   - symbol: S  # 19
     coordinates: [  0.9829541000000001,  0.1320267800000000,  0.3805830100000000 ]
     mass: 32.065000
   - symbol: S  # 20
     coordinates: [  0.0170459000000000,  0.1320267800000000,  0.1194169900000000 ]
     mass: 32.065000
   - symbol: K  # 21
     coordinates: [  0.2772168800000000,  0.8326057700000000,  0.1819618000000000 ]
     mass: 39.098300
   - symbol: K  # 22
     coordinates: [  0.7227831200000000,  0.8326057700000000,  0.3180382000000000 ]
     mass: 39.098300
   - symbol: K  # 23
     coordinates: [  0.7227831200000000,  0.1673942300000000,  0.8180382000000000 ]
     mass: 39.098300
   - symbol: K  # 24
     coordinates: [  0.2772168800000000,  0.1673942300000000,  0.6819618000000000 ]
     mass: 39.098300
   - symbol: K  # 25
     coordinates: [  0.7772168800000000,  0.3326057700000000,  0.1819618000000000 ]
     mass: 39.098300
   - symbol: K  # 26
     coordinates: [  0.2227831200000000,  0.3326057700000000,  0.3180382000000000 ]
     mass: 39.098300
   - symbol: K  # 27
     coordinates: [  0.2227831200000000,  0.6673942300000000,  0.8180382000000000 ]
     mass: 39.098300
   - symbol: K  # 28
     coordinates: [  0.7772168800000000,  0.6673942300000000,  0.6819618000000000 ]
     mass: 39.098300
   - symbol: Sn # 29
     coordinates: [  0.4058556100000000,  0.3437730600000000,  0.0580053100000000 ]
     mass: 118.710000
   - symbol: Sn # 30
     coordinates: [  0.5941443900000000,  0.3437730600000000,  0.4419946900000000 ]
     mass: 118.710000
   - symbol: Sn # 31
     coordinates: [  0.5941443900000000,  0.6562269400000000,  0.9419946900000000 ]
     mass: 118.710000
   - symbol: Sn # 32
     coordinates: [  0.4058556100000000,  0.6562269400000000,  0.5580053100000000 ]
     mass: 118.710000
   - symbol: Sn # 33
     coordinates: [  0.9058556100000000,  0.8437730600000000,  0.0580053100000000 ]
     mass: 118.710000
   - symbol: Sn # 34
     coordinates: [  0.0941443900000000,  0.8437730600000000,  0.4419946900000000 ]
     mass: 118.710000
   - symbol: Sn # 35
     coordinates: [  0.0941443900000000,  0.1562269400000000,  0.9419946900000000 ]
     mass: 118.710000
   - symbol: Sn # 36
     coordinates: [  0.9058556100000000,  0.1562269400000000,  0.5580053100000000 ]
     mass: 118.710000
   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

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