Materials id 17886 / K2Al2Sb3 / P2_1/c (14)
==============================================================================

- Date page updated: 2018-4-17
- Space group type: P2_1/c (14) / -P 2ybc
- Number of formula units (Z): 8
- Phonon raw data: :download:`mp-17886-20180417.tar.lzma <./mp-17886-20180417.tar.lzma>`
- Link to Materials Project: `https://www.materialsproject.org/materials/mp-17886/ <https://www.materialsproject.org/materials/mp-17886/>`_

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

.. image:: mp-17886-band.png

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

.. image:: mp-17886-dos.png

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

Imaginary modes are excluded if they exist.

.. image:: mp-17886-tprops.png

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

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

::

   lattice:
   - [    14.7756173999999998,     0.0000000000000000,     0.0079849200000000 ] # a
   - [     0.0000000000000000,     7.1703758700000000,     0.0000000000000000 ] # b
   - [    -0.1491311800000000,     0.0000000000000000,    16.6687611300000000 ] # c
   points:
   - symbol: Al # 1
     coordinates: [  0.1864134700000000,  0.7128208300000000,  0.8284704700000000 ]
     mass: 26.981539
   - symbol: Al # 2
     coordinates: [  0.8135865300000000,  0.2128208300000000,  0.6715295300000000 ]
     mass: 26.981539
   - symbol: Al # 3
     coordinates: [  0.8135865300000000,  0.2871791700000000,  0.1715295300000000 ]
     mass: 26.981539
   - symbol: Al # 4
     coordinates: [  0.1864134700000000,  0.7871791700000000,  0.3284704700000000 ]
     mass: 26.981539
   - symbol: Al # 5
     coordinates: [  0.5952325100000000,  0.2094960100000000,  0.7304688800000000 ]
     mass: 26.981539
   - symbol: Al # 6
     coordinates: [  0.4047674900000000,  0.7094960100000000,  0.7695311200000000 ]
     mass: 26.981539
   - symbol: Al # 7
     coordinates: [  0.4047674900000000,  0.7905039900000000,  0.2695311200000000 ]
     mass: 26.981539
   - symbol: Al # 8
     coordinates: [  0.5952325100000000,  0.2905039900000000,  0.2304688800000000 ]
     mass: 26.981539
   - symbol: Al # 9
     coordinates: [  0.3168828400000000,  0.2309140100000000,  0.8225052800000000 ]
     mass: 26.981539
   - symbol: Al # 10
     coordinates: [  0.6831171600000000,  0.7309140100000000,  0.6774947200000000 ]
     mass: 26.981539
   - symbol: Al # 11
     coordinates: [  0.6831171600000000,  0.7690859900000000,  0.1774947200000000 ]
     mass: 26.981539
   - symbol: Al # 12
     coordinates: [  0.3168828400000000,  0.2690859900000000,  0.3225052800000000 ]
     mass: 26.981539
   - symbol: Al # 13
     coordinates: [  0.0953787500000000,  0.2343355100000000,  0.7614206100000001 ]
     mass: 26.981539
   - symbol: Al # 14
     coordinates: [  0.9046212500000000,  0.7343355100000000,  0.7385793899999999 ]
     mass: 26.981539
   - symbol: Al # 15
     coordinates: [  0.9046212500000000,  0.7656644900000000,  0.2385793900000000 ]
     mass: 26.981539
   - symbol: Al # 16
     coordinates: [  0.0953787500000000,  0.2656644900000000,  0.2614206100000000 ]
     mass: 26.981539
   - symbol: K  # 17
     coordinates: [  0.6411439300000000,  0.0270198400000000,  0.9916143600000000 ]
     mass: 39.098300
   - symbol: K  # 18
     coordinates: [  0.3588560700000000,  0.5270198400000000,  0.5083856400000000 ]
     mass: 39.098300
   - symbol: K  # 19
     coordinates: [  0.3588560700000000,  0.9729801600000000,  0.0083856400000000 ]
     mass: 39.098300
   - symbol: K  # 20
     coordinates: [  0.6411439300000000,  0.4729801600000000,  0.4916143600000000 ]
     mass: 39.098300
   - symbol: K  # 21
     coordinates: [  0.1504675700000000,  0.4555346900000000,  0.0189971500000000 ]
     mass: 39.098300
   - symbol: K  # 22
     coordinates: [  0.8495324300000000,  0.9555346900000000,  0.4810028500000000 ]
     mass: 39.098300
   - symbol: K  # 23
     coordinates: [  0.8495324300000000,  0.5444653100000000,  0.9810028500000000 ]
     mass: 39.098300
   - symbol: K  # 24
     coordinates: [  0.1504675700000000,  0.0444653100000000,  0.5189971500000000 ]
     mass: 39.098300
   - symbol: K  # 25
     coordinates: [  0.4265071300000000,  0.4692081700000000,  0.1099468500000000 ]
     mass: 39.098300
   - symbol: K  # 26
     coordinates: [  0.5734928700000000,  0.9692081700000000,  0.3900531500000000 ]
     mass: 39.098300
   - symbol: K  # 27
     coordinates: [  0.5734928700000000,  0.5307918300000000,  0.8900531500000000 ]
     mass: 39.098300
   - symbol: K  # 28
     coordinates: [  0.4265071300000000,  0.0307918300000000,  0.6099468500000000 ]
     mass: 39.098300
   - symbol: K  # 29
     coordinates: [  0.9427393600000000,  0.0474848400000000,  0.8963513400000001 ]
     mass: 39.098300
   - symbol: K  # 30
     coordinates: [  0.0572606400000000,  0.5474848400000000,  0.6036486599999999 ]
     mass: 39.098300
   - symbol: K  # 31
     coordinates: [  0.0572606400000000,  0.9525151600000000,  0.1036486600000000 ]
     mass: 39.098300
   - symbol: K  # 32
     coordinates: [  0.9427393600000000,  0.4525151600000000,  0.3963513400000000 ]
     mass: 39.098300
   - symbol: Sb # 33
     coordinates: [  0.4741060100000000,  0.0338487500000000,  0.8257834800000000 ]
     mass: 121.760000
   - symbol: Sb # 34
     coordinates: [  0.5258939900000000,  0.5338487500000000,  0.6742165200000000 ]
     mass: 121.760000
   - symbol: Sb # 35
     coordinates: [  0.5258939900000000,  0.9661512500000000,  0.1742165200000000 ]
     mass: 121.760000
   - symbol: Sb # 36
     coordinates: [  0.4741060100000000,  0.4661512500000000,  0.3257834800000000 ]
     mass: 121.760000
   - symbol: Sb # 37
     coordinates: [  0.3355793700000000,  0.5505795300000000,  0.9029962600000000 ]
     mass: 121.760000
   - symbol: Sb # 38
     coordinates: [  0.6644206300000000,  0.0505795300000000,  0.5970037400000000 ]
     mass: 121.760000
   - symbol: Sb # 39
     coordinates: [  0.6644206300000000,  0.4494204700000000,  0.0970037400000000 ]
     mass: 121.760000
   - symbol: Sb # 40
     coordinates: [  0.3355793700000000,  0.9494204700000000,  0.4029962600000000 ]
     mass: 121.760000
   - symbol: Sb # 41
     coordinates: [  0.1712653500000000,  0.0561767600000000,  0.8890091900000000 ]
     mass: 121.760000
   - symbol: Sb # 42
     coordinates: [  0.8287346500000000,  0.5561767600000000,  0.6109908100000000 ]
     mass: 121.760000
   - symbol: Sb # 43
     coordinates: [  0.8287346500000000,  0.9438232400000000,  0.1109908100000000 ]
     mass: 121.760000
   - symbol: Sb # 44
     coordinates: [  0.1712653500000000,  0.4438232400000000,  0.3890091900000000 ]
     mass: 121.760000
   - symbol: Sb # 45
     coordinates: [  0.2486873900000000,  0.1766300900000000,  0.1759379300000000 ]
     mass: 121.760000
   - symbol: Sb # 46
     coordinates: [  0.7513126100000000,  0.6766300900000000,  0.3240620700000000 ]
     mass: 121.760000
   - symbol: Sb # 47
     coordinates: [  0.7513126100000000,  0.8233699100000000,  0.8240620700000000 ]
     mass: 121.760000
   - symbol: Sb # 48
     coordinates: [  0.2486873900000000,  0.3233699100000000,  0.6759379300000000 ]
     mass: 121.760000
   - symbol: Sb # 49
     coordinates: [  0.0232230900000000,  0.5373672900000001,  0.8342119800000000 ]
     mass: 121.760000
   - symbol: Sb # 50
     coordinates: [  0.9767769100000000,  0.0373672900000000,  0.6657880200000000 ]
     mass: 121.760000
   - symbol: Sb # 51
     coordinates: [  0.9767769100000000,  0.4626327100000000,  0.1657880200000000 ]
     mass: 121.760000
   - symbol: Sb # 52
     coordinates: [  0.0232230900000000,  0.9626327099999999,  0.3342119800000000 ]
     mass: 121.760000
   - symbol: Sb # 53
     coordinates: [  0.2516171200000000,  0.7726681600000000,  0.1790713800000000 ]
     mass: 121.760000
   - symbol: Sb # 54
     coordinates: [  0.7483828800000000,  0.2726681600000000,  0.3209286200000000 ]
     mass: 121.760000
   - symbol: Sb # 55
     coordinates: [  0.7483828800000000,  0.2273318400000000,  0.8209286200000000 ]
     mass: 121.760000
   - symbol: Sb # 56
     coordinates: [  0.2516171200000000,  0.7273318400000000,  0.6790713800000000 ]
     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
   - 37
   - 38
   - 39
   - 40
   - 41
   - 42
   - 43
   - 44
   - 45
   - 46
   - 47
   - 48
   - 49
   - 50
   - 51
   - 52
   - 53
   - 54
   - 55
   - 56

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