Materials id 11055 / CsSn / I4_1/acd (142)
==============================================================================

- Date page updated: 2018-4-17
- Space group type: I4_1/acd (142) / I 4bw 2aw -1bw
- Number of formula units (Z): 32
- Phonon raw data: :download:`mp-11055-20180417.tar.lzma <./mp-11055-20180417.tar.lzma>`
- Link to Materials Project: `https://www.materialsproject.org/materials/mp-11055/ <https://www.materialsproject.org/materials/mp-11055/>`_

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

.. image:: mp-11055-band.png

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

.. image:: mp-11055-dos.png

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

Imaginary modes are excluded if they exist.

.. image:: mp-11055-tprops.png

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

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

::

   lattice:
   - [    11.9446713700000000,     0.0000000000000000,     0.0000000000000000 ] # a
   - [     0.0000000000000000,    11.9446713700000000,     0.0000000000000000 ] # b
   - [     0.0000000000000000,     0.0000000000000000,    19.5928750299999983 ] # c
   points:
   - symbol: Sn # 1
     coordinates: [  0.3935480800000000,  0.0620593000000000,  0.8033237800000000 ]
     mass: 118.710000
   - symbol: Sn # 2
     coordinates: [  0.0620593000000000,  0.3935480800000000,  0.6966762200000000 ]
     mass: 118.710000
   - symbol: Sn # 3
     coordinates: [  0.9379407000000000,  0.6064519200000000,  0.6966762200000000 ]
     mass: 118.710000
   - symbol: Sn # 4
     coordinates: [  0.1064519200000000,  0.0620593000000000,  0.4466762200000000 ]
     mass: 118.710000
   - symbol: Sn # 5
     coordinates: [  0.8935480800000000,  0.9379407000000000,  0.4466762200000000 ]
     mass: 118.710000
   - symbol: Sn # 6
     coordinates: [  0.5620593000000000,  0.6064519200000000,  0.5533237800000000 ]
     mass: 118.710000
   - symbol: Sn # 7
     coordinates: [  0.4379407000000000,  0.3935480800000000,  0.5533237800000000 ]
     mass: 118.710000
   - symbol: Sn # 8
     coordinates: [  0.6064519200000000,  0.9379407000000000,  0.8033237800000000 ]
     mass: 118.710000
   - symbol: Sn # 9
     coordinates: [  0.6064519200000000,  0.4379407000000000,  0.4466762200000000 ]
     mass: 118.710000
   - symbol: Sn # 10
     coordinates: [  0.9379407000000000,  0.1064519200000000,  0.5533237800000000 ]
     mass: 118.710000
   - symbol: Sn # 11
     coordinates: [  0.0620593000000000,  0.8935480800000000,  0.5533237800000000 ]
     mass: 118.710000
   - symbol: Sn # 12
     coordinates: [  0.8935480800000000,  0.4379407000000000,  0.8033237800000000 ]
     mass: 118.710000
   - symbol: Sn # 13
     coordinates: [  0.1064519200000000,  0.5620593000000000,  0.8033237800000000 ]
     mass: 118.710000
   - symbol: Sn # 14
     coordinates: [  0.4379407000000000,  0.8935480800000000,  0.6966762200000000 ]
     mass: 118.710000
   - symbol: Sn # 15
     coordinates: [  0.5620593000000000,  0.1064519200000000,  0.6966762200000000 ]
     mass: 118.710000
   - symbol: Sn # 16
     coordinates: [  0.3935480800000000,  0.5620593000000000,  0.4466762200000000 ]
     mass: 118.710000
   - symbol: Sn # 17
     coordinates: [  0.8935480800000000,  0.5620593000000000,  0.3033237800000000 ]
     mass: 118.710000
   - symbol: Sn # 18
     coordinates: [  0.5620593000000000,  0.8935480800000000,  0.1966762200000000 ]
     mass: 118.710000
   - symbol: Sn # 19
     coordinates: [  0.4379407000000000,  0.1064519200000000,  0.1966762200000000 ]
     mass: 118.710000
   - symbol: Sn # 20
     coordinates: [  0.6064519200000000,  0.5620593000000000,  0.9466762200000000 ]
     mass: 118.710000
   - symbol: Sn # 21
     coordinates: [  0.3935480800000000,  0.4379407000000000,  0.9466762200000000 ]
     mass: 118.710000
   - symbol: Sn # 22
     coordinates: [  0.0620593000000000,  0.1064519200000000,  0.0533237800000000 ]
     mass: 118.710000
   - symbol: Sn # 23
     coordinates: [  0.9379407000000000,  0.8935480800000000,  0.0533237800000000 ]
     mass: 118.710000
   - symbol: Sn # 24
     coordinates: [  0.1064519200000000,  0.4379407000000000,  0.3033237800000000 ]
     mass: 118.710000
   - symbol: Sn # 25
     coordinates: [  0.1064519200000000,  0.9379407000000000,  0.9466762200000000 ]
     mass: 118.710000
   - symbol: Sn # 26
     coordinates: [  0.4379407000000000,  0.6064519200000000,  0.0533237800000000 ]
     mass: 118.710000
   - symbol: Sn # 27
     coordinates: [  0.5620593000000000,  0.3935480800000000,  0.0533237800000000 ]
     mass: 118.710000
   - symbol: Sn # 28
     coordinates: [  0.3935480800000000,  0.9379407000000000,  0.3033237800000000 ]
     mass: 118.710000
   - symbol: Sn # 29
     coordinates: [  0.6064519200000000,  0.0620593000000000,  0.3033237800000000 ]
     mass: 118.710000
   - symbol: Sn # 30
     coordinates: [  0.9379407000000000,  0.3935480800000000,  0.1966762200000000 ]
     mass: 118.710000
   - symbol: Sn # 31
     coordinates: [  0.0620593000000000,  0.6064519200000000,  0.1966762200000000 ]
     mass: 118.710000
   - symbol: Sn # 32
     coordinates: [  0.8935480800000000,  0.0620593000000000,  0.9466762200000000 ]
     mass: 118.710000
   - symbol: Cs # 33
     coordinates: [  0.3803902200000000,  0.8803902200000000,  0.5000000000000000 ]
     mass: 132.905452
   - symbol: Cs # 34
     coordinates: [  0.8803902200000000,  0.1196097800000000,  0.7500000000000000 ]
     mass: 132.905452
   - symbol: Cs # 35
     coordinates: [  0.1196097800000000,  0.8803902200000000,  0.7500000000000000 ]
     mass: 132.905452
   - symbol: Cs # 36
     coordinates: [  0.6196097800000000,  0.1196097800000000,  0.5000000000000000 ]
     mass: 132.905452
   - symbol: Cs # 37
     coordinates: [  0.6196097800000000,  0.6196097800000000,  0.7500000000000000 ]
     mass: 132.905452
   - symbol: Cs # 38
     coordinates: [  0.1196097800000000,  0.3803902200000000,  0.5000000000000000 ]
     mass: 132.905452
   - symbol: Cs # 39
     coordinates: [  0.8803902200000000,  0.6196097800000000,  0.5000000000000000 ]
     mass: 132.905452
   - symbol: Cs # 40
     coordinates: [  0.3803902200000000,  0.3803902200000000,  0.7500000000000000 ]
     mass: 132.905452
   - symbol: Cs # 41
     coordinates: [  0.7500000000000000,  0.3579627000000000,  0.6250000000000000 ]
     mass: 132.905452
   - symbol: Cs # 42
     coordinates: [  0.3579627000000000,  0.7500000000000000,  0.8750000000000000 ]
     mass: 132.905452
   - symbol: Cs # 43
     coordinates: [  0.6420373000000000,  0.2500000000000000,  0.8750000000000000 ]
     mass: 132.905452
   - symbol: Cs # 44
     coordinates: [  0.2500000000000000,  0.6420373000000000,  0.6250000000000000 ]
     mass: 132.905452
   - symbol: Cs # 45
     coordinates: [  0.2500000000000000,  0.1420373000000000,  0.6250000000000000 ]
     mass: 132.905452
   - symbol: Cs # 46
     coordinates: [  0.1420373000000000,  0.2500000000000000,  0.8750000000000000 ]
     mass: 132.905452
   - symbol: Cs # 47
     coordinates: [  0.8579627000000000,  0.7500000000000000,  0.8750000000000000 ]
     mass: 132.905452
   - symbol: Cs # 48
     coordinates: [  0.7500000000000000,  0.8579627000000000,  0.6250000000000000 ]
     mass: 132.905452
   - symbol: Cs # 49
     coordinates: [  0.8803902200000000,  0.3803902200000000,  0.0000000000000000 ]
     mass: 132.905452
   - symbol: Cs # 50
     coordinates: [  0.3803902200000000,  0.6196097800000000,  0.2500000000000000 ]
     mass: 132.905452
   - symbol: Cs # 51
     coordinates: [  0.6196097800000000,  0.3803902200000000,  0.2500000000000000 ]
     mass: 132.905452
   - symbol: Cs # 52
     coordinates: [  0.1196097800000000,  0.6196097800000000,  0.0000000000000000 ]
     mass: 132.905452
   - symbol: Cs # 53
     coordinates: [  0.1196097800000000,  0.1196097800000000,  0.2500000000000000 ]
     mass: 132.905452
   - symbol: Cs # 54
     coordinates: [  0.6196097800000000,  0.8803902200000000,  0.0000000000000000 ]
     mass: 132.905452
   - symbol: Cs # 55
     coordinates: [  0.3803902200000000,  0.1196097800000000,  0.0000000000000000 ]
     mass: 132.905452
   - symbol: Cs # 56
     coordinates: [  0.8803902200000000,  0.8803902200000000,  0.2500000000000000 ]
     mass: 132.905452
   - symbol: Cs # 57
     coordinates: [  0.2500000000000000,  0.8579627000000000,  0.1250000000000000 ]
     mass: 132.905452
   - symbol: Cs # 58
     coordinates: [  0.8579627000000000,  0.2500000000000000,  0.3750000000000000 ]
     mass: 132.905452
   - symbol: Cs # 59
     coordinates: [  0.1420373000000000,  0.7500000000000000,  0.3750000000000000 ]
     mass: 132.905452
   - symbol: Cs # 60
     coordinates: [  0.7500000000000000,  0.1420373000000000,  0.1250000000000000 ]
     mass: 132.905452
   - symbol: Cs # 61
     coordinates: [  0.7500000000000000,  0.6420373000000000,  0.1250000000000000 ]
     mass: 132.905452
   - symbol: Cs # 62
     coordinates: [  0.6420373000000000,  0.7500000000000000,  0.3750000000000000 ]
     mass: 132.905452
   - symbol: Cs # 63
     coordinates: [  0.3579627000000000,  0.2500000000000000,  0.3750000000000000 ]
     mass: 132.905452
   - symbol: Cs # 64
     coordinates: [  0.2500000000000000,  0.3579627000000000,  0.1250000000000000 ]
     mass: 132.905452
   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
   - 43
   - 44
   - 45
   - 46
   - 47
   - 48
   - 49
   - 50
   - 51
   - 52
   - 53
   - 54
   - 55
   - 56
   - 57
   - 58
   - 59
   - 60
   - 61
   - 62
   - 63
   - 64

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