Materials id 15433 / K2Ga2Sb3 / 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-15433-20180417.tar.lzma <./mp-15433-20180417.tar.lzma>`
- Link to Materials Project: `https://www.materialsproject.org/materials/mp-15433/ <https://www.materialsproject.org/materials/mp-15433/>`_

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

.. image:: mp-15433-band.png

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

.. image:: mp-15433-dos.png

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

Imaginary modes are excluded if they exist.

.. image:: mp-15433-tprops.png

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

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

::

   lattice:
   - [    14.7822385900000004,     0.0000000000000000,     0.0094330200000000 ] # a
   - [     0.0000000000000000,     7.1381320700000002,     0.0000000000000000 ] # b
   - [    -0.1380216700000000,     0.0000000000000000,    16.5876048900000015 ] # c
   points:
   - symbol: K  # 1
     coordinates: [  0.1435617400000000,  0.0201331400000000,  0.9910354099999999 ]
     mass: 39.098300
   - symbol: K  # 2
     coordinates: [  0.8564382600000000,  0.5201331400000000,  0.5089645900000001 ]
     mass: 39.098300
   - symbol: K  # 3
     coordinates: [  0.8564382600000000,  0.9798668600000000,  0.0089645900000000 ]
     mass: 39.098300
   - symbol: K  # 4
     coordinates: [  0.1435617400000000,  0.4798668600000000,  0.4910354100000000 ]
     mass: 39.098300
   - symbol: K  # 5
     coordinates: [  0.6526838000000000,  0.4641243000000000,  0.0211324200000000 ]
     mass: 39.098300
   - symbol: K  # 6
     coordinates: [  0.3473162000000000,  0.9641243000000000,  0.4788675800000000 ]
     mass: 39.098300
   - symbol: K  # 7
     coordinates: [  0.3473162000000000,  0.5358757000000000,  0.9788675800000000 ]
     mass: 39.098300
   - symbol: K  # 8
     coordinates: [  0.6526838000000000,  0.0358757000000000,  0.5211324200000000 ]
     mass: 39.098300
   - symbol: K  # 9
     coordinates: [  0.9267746900000000,  0.4757434200000000,  0.1122694000000000 ]
     mass: 39.098300
   - symbol: K  # 10
     coordinates: [  0.0732253100000000,  0.9757434200000000,  0.3877306000000000 ]
     mass: 39.098300
   - symbol: K  # 11
     coordinates: [  0.0732253100000000,  0.5242565800000000,  0.8877306000000000 ]
     mass: 39.098300
   - symbol: K  # 12
     coordinates: [  0.9267746900000000,  0.0242565800000000,  0.6122694000000000 ]
     mass: 39.098300
   - symbol: K  # 13
     coordinates: [  0.4429573400000000,  0.0394868600000000,  0.8941304100000000 ]
     mass: 39.098300
   - symbol: K  # 14
     coordinates: [  0.5570426600000000,  0.5394868600000000,  0.6058695900000000 ]
     mass: 39.098300
   - symbol: K  # 15
     coordinates: [  0.5570426600000000,  0.9605131400000000,  0.1058695900000000 ]
     mass: 39.098300
   - symbol: K  # 16
     coordinates: [  0.4429573400000000,  0.4605131400000000,  0.3941304100000000 ]
     mass: 39.098300
   - symbol: Ga # 17
     coordinates: [  0.6844858300000000,  0.7146710400000000,  0.8328144400000000 ]
     mass: 69.723000
   - symbol: Ga # 18
     coordinates: [  0.3155141700000000,  0.2146710400000000,  0.6671855600000000 ]
     mass: 69.723000
   - symbol: Ga # 19
     coordinates: [  0.3155141700000000,  0.2853289600000000,  0.1671855600000000 ]
     mass: 69.723000
   - symbol: Ga # 20
     coordinates: [  0.6844858300000000,  0.7853289600000000,  0.3328144400000000 ]
     mass: 69.723000
   - symbol: Ga # 21
     coordinates: [  0.0915230800000000,  0.2106724700000000,  0.7305223300000000 ]
     mass: 69.723000
   - symbol: Ga # 22
     coordinates: [  0.9084769200000000,  0.7106724700000000,  0.7694776700000000 ]
     mass: 69.723000
   - symbol: Ga # 23
     coordinates: [  0.9084769200000000,  0.7893275300000000,  0.2694776700000000 ]
     mass: 69.723000
   - symbol: Ga # 24
     coordinates: [  0.0915230800000000,  0.2893275300000000,  0.2305223300000000 ]
     mass: 69.723000
   - symbol: Ga # 25
     coordinates: [  0.8189747400000000,  0.2291172300000000,  0.8251556700000000 ]
     mass: 69.723000
   - symbol: Ga # 26
     coordinates: [  0.1810252600000000,  0.7291172299999999,  0.6748443300000000 ]
     mass: 69.723000
   - symbol: Ga # 27
     coordinates: [  0.1810252600000000,  0.7708827700000001,  0.1748443300000000 ]
     mass: 69.723000
   - symbol: Ga # 28
     coordinates: [  0.8189747400000000,  0.2708827700000000,  0.3251556700000000 ]
     mass: 69.723000
   - symbol: Ga # 29
     coordinates: [  0.5920681700000000,  0.2317000100000000,  0.7592758200000000 ]
     mass: 69.723000
   - symbol: Ga # 30
     coordinates: [  0.4079318300000000,  0.7317000100000000,  0.7407241800000000 ]
     mass: 69.723000
   - symbol: Ga # 31
     coordinates: [  0.4079318300000000,  0.7682999900000000,  0.2407241800000000 ]
     mass: 69.723000
   - symbol: Ga # 32
     coordinates: [  0.5920681700000000,  0.2682999900000000,  0.2592758200000000 ]
     mass: 69.723000
   - symbol: Sb # 33
     coordinates: [  0.9750765500000000,  0.0332568100000000,  0.8282436500000000 ]
     mass: 121.760000
   - symbol: Sb # 34
     coordinates: [  0.0249234500000000,  0.5332568100000000,  0.6717563500000000 ]
     mass: 121.760000
   - symbol: Sb # 35
     coordinates: [  0.0249234500000000,  0.9667431900000000,  0.1717563500000000 ]
     mass: 121.760000
   - symbol: Sb # 36
     coordinates: [  0.9750765500000000,  0.4667431900000000,  0.3282436500000000 ]
     mass: 121.760000
   - symbol: Sb # 37
     coordinates: [  0.8363286900000000,  0.5528578500000000,  0.9020907900000000 ]
     mass: 121.760000
   - symbol: Sb # 38
     coordinates: [  0.1636713100000000,  0.0528578500000000,  0.5979092100000000 ]
     mass: 121.760000
   - symbol: Sb # 39
     coordinates: [  0.1636713100000000,  0.4471421500000000,  0.0979092100000000 ]
     mass: 121.760000
   - symbol: Sb # 40
     coordinates: [  0.8363286900000000,  0.9471421500000000,  0.4020907900000000 ]
     mass: 121.760000
   - symbol: Sb # 41
     coordinates: [  0.6703361500000000,  0.0613816600000000,  0.8880093000000000 ]
     mass: 121.760000
   - symbol: Sb # 42
     coordinates: [  0.3296638500000000,  0.5613816600000000,  0.6119907000000000 ]
     mass: 121.760000
   - symbol: Sb # 43
     coordinates: [  0.3296638500000000,  0.9386183400000000,  0.1119907000000000 ]
     mass: 121.760000
   - symbol: Sb # 44
     coordinates: [  0.6703361500000000,  0.4386183400000000,  0.3880093000000000 ]
     mass: 121.760000
   - symbol: Sb # 45
     coordinates: [  0.7491172900000000,  0.1821617100000000,  0.1794047400000000 ]
     mass: 121.760000
   - symbol: Sb # 46
     coordinates: [  0.2508827100000000,  0.6821617100000000,  0.3205952600000000 ]
     mass: 121.760000
   - symbol: Sb # 47
     coordinates: [  0.2508827100000000,  0.8178382900000000,  0.8205952600000000 ]
     mass: 121.760000
   - symbol: Sb # 48
     coordinates: [  0.7491172900000000,  0.3178382900000000,  0.6794047400000000 ]
     mass: 121.760000
   - symbol: Sb # 49
     coordinates: [  0.5241580800000000,  0.5324914700000000,  0.8360462300000000 ]
     mass: 121.760000
   - symbol: Sb # 50
     coordinates: [  0.4758419200000000,  0.0324914700000000,  0.6639537700000000 ]
     mass: 121.760000
   - symbol: Sb # 51
     coordinates: [  0.4758419200000000,  0.4675085300000000,  0.1639537700000000 ]
     mass: 121.760000
   - symbol: Sb # 52
     coordinates: [  0.5241580800000000,  0.9675085300000000,  0.3360462300000000 ]
     mass: 121.760000
   - symbol: Sb # 53
     coordinates: [  0.7519787800000000,  0.7793261300000000,  0.1841068700000000 ]
     mass: 121.760000
   - symbol: Sb # 54
     coordinates: [  0.2480212200000000,  0.2793261300000000,  0.3158931300000000 ]
     mass: 121.760000
   - symbol: Sb # 55
     coordinates: [  0.2480212200000000,  0.2206738700000000,  0.8158931300000000 ]
     mass: 121.760000
   - symbol: Sb # 56
     coordinates: [  0.7519787800000000,  0.7206738700000000,  0.6841068700000000 ]
     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