Materials id 5367 / K5SnSb3 / P2_1/c (14)
==============================================================================

- Date page updated: 2018-4-17
- Space group type: P2_1/c (14) / -P 2ybc
- Number of formula units (Z): 4
- Phonon raw data: :download:`mp-5367-20180417.tar.lzma <./mp-5367-20180417.tar.lzma>`
- Link to Materials Project: `https://www.materialsproject.org/materials/mp-5367/ <https://www.materialsproject.org/materials/mp-5367/>`_

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

.. image:: mp-5367-band.png

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

.. image:: mp-5367-dos.png

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

Imaginary modes are excluded if they exist.

.. image:: mp-5367-tprops.png

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

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

::

   lattice:
   - [     9.8258343499999992,     0.0000000000000000,    -0.0289549100000000 ] # a
   - [     0.0000000000000000,     8.6934612900000001,     0.0000000000000000 ] # b
   - [    -9.7925124399999994,     0.0000000000000000,    16.0092057099999998 ] # c
   points:
   - symbol: K  # 1
     coordinates: [  0.3363086300000000,  0.8377919600000000,  0.2602279900000000 ]
     mass: 39.098300
   - symbol: K  # 2
     coordinates: [  0.6636913700000000,  0.3377919600000000,  0.2397720100000000 ]
     mass: 39.098300
   - symbol: K  # 3
     coordinates: [  0.6636913700000000,  0.1622080400000000,  0.7397720100000000 ]
     mass: 39.098300
   - symbol: K  # 4
     coordinates: [  0.3363086300000000,  0.6622080400000000,  0.7602279900000000 ]
     mass: 39.098300
   - symbol: K  # 5
     coordinates: [  0.6571181400000000,  0.8261340000000000,  0.5782294500000000 ]
     mass: 39.098300
   - symbol: K  # 6
     coordinates: [  0.3428818600000000,  0.3261340000000000,  0.9217705500000000 ]
     mass: 39.098300
   - symbol: K  # 7
     coordinates: [  0.3428818600000000,  0.1738660000000000,  0.4217705500000000 ]
     mass: 39.098300
   - symbol: K  # 8
     coordinates: [  0.6571181400000000,  0.6738660000000000,  0.0782294500000000 ]
     mass: 39.098300
   - symbol: K  # 9
     coordinates: [  0.6109449500000000,  0.9970354000000000,  0.9116961800000000 ]
     mass: 39.098300
   - symbol: K  # 10
     coordinates: [  0.3890550500000000,  0.4970354000000000,  0.5883038200000000 ]
     mass: 39.098300
   - symbol: K  # 11
     coordinates: [  0.3890550500000000,  0.0029646000000000,  0.0883038200000000 ]
     mass: 39.098300
   - symbol: K  # 12
     coordinates: [  0.6109449500000000,  0.5029646000000000,  0.4116961800000000 ]
     mass: 39.098300
   - symbol: K  # 13
     coordinates: [  0.7592114300000000,  0.4810852500000000,  0.9218672100000000 ]
     mass: 39.098300
   - symbol: K  # 14
     coordinates: [  0.2407885700000000,  0.9810852500000000,  0.5781327900000000 ]
     mass: 39.098300
   - symbol: K  # 15
     coordinates: [  0.2407885700000000,  0.5189147500000000,  0.0781327900000000 ]
     mass: 39.098300
   - symbol: K  # 16
     coordinates: [  0.7592114300000000,  0.0189147500000000,  0.4218672100000000 ]
     mass: 39.098300
   - symbol: K  # 17
     coordinates: [  0.0508561200000000,  0.0058926700000000,  0.7444126100000000 ]
     mass: 39.098300
   - symbol: K  # 18
     coordinates: [  0.9491438800000001,  0.5058926700000000,  0.7555873900000000 ]
     mass: 39.098300
   - symbol: K  # 19
     coordinates: [  0.9491438800000001,  0.9941073300000000,  0.2555873900000000 ]
     mass: 39.098300
   - symbol: K  # 20
     coordinates: [  0.0508561200000000,  0.4941073300000000,  0.2444126100000000 ]
     mass: 39.098300
   - symbol: Sn # 21
     coordinates: [  0.9854028700000000,  0.6440447200000000,  0.4127632000000000 ]
     mass: 118.710000
   - symbol: Sn # 22
     coordinates: [  0.0145971300000000,  0.1440447200000000,  0.0872368000000000 ]
     mass: 118.710000
   - symbol: Sn # 23
     coordinates: [  0.0145971300000000,  0.3559552800000000,  0.5872368000000000 ]
     mass: 118.710000
   - symbol: Sn # 24
     coordinates: [  0.9854028700000000,  0.8559552800000000,  0.9127632000000000 ]
     mass: 118.710000
   - symbol: Sb # 25
     coordinates: [  0.2614208000000000,  0.7367191800000000,  0.9194931100000000 ]
     mass: 121.760000
   - symbol: Sb # 26
     coordinates: [  0.7385792000000000,  0.2367191800000000,  0.5805068900000000 ]
     mass: 121.760000
   - symbol: Sb # 27
     coordinates: [  0.7385792000000000,  0.2632808200000000,  0.0805068900000000 ]
     mass: 121.760000
   - symbol: Sb # 28
     coordinates: [  0.2614208000000000,  0.7632808200000000,  0.4194931100000000 ]
     mass: 121.760000
   - symbol: Sb # 29
     coordinates: [  0.9835362700000000,  0.8111858900000000,  0.0659475300000000 ]
     mass: 121.760000
   - symbol: Sb # 30
     coordinates: [  0.0164637300000000,  0.3111858900000000,  0.4340524700000000 ]
     mass: 121.760000
   - symbol: Sb # 31
     coordinates: [  0.0164637300000000,  0.1888141100000000,  0.9340524700000000 ]
     mass: 121.760000
   - symbol: Sb # 32
     coordinates: [  0.9835362700000000,  0.6888141100000000,  0.5659475300000000 ]
     mass: 121.760000
   - symbol: Sb # 33
     coordinates: [  0.6902174599999999,  0.7342301900000000,  0.2705378400000000 ]
     mass: 121.760000
   - symbol: Sb # 34
     coordinates: [  0.3097825400000000,  0.2342301900000000,  0.2294621600000000 ]
     mass: 121.760000
   - symbol: Sb # 35
     coordinates: [  0.3097825400000000,  0.2657698100000000,  0.7294621600000000 ]
     mass: 121.760000
   - symbol: Sb # 36
     coordinates: [  0.6902174599999999,  0.7657698100000000,  0.7705378400000000 ]
     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
   - 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