Materials id 14428 / KNa4GaO4 / Pbca (61)
==============================================================================

- Date page updated: 2018-4-17
- Space group type: Pbca (61) / -P 2ac 2ab
- Number of formula units (Z): 8
- Phonon raw data: :download:`mp-14428-20180417.tar.lzma <./mp-14428-20180417.tar.lzma>`
- Link to Materials Project: `https://www.materialsproject.org/materials/mp-14428/ <https://www.materialsproject.org/materials/mp-14428/>`_

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

.. image:: mp-14428-band.png

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

.. image:: mp-14428-dos.png

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

Imaginary modes are excluded if they exist.

.. image:: mp-14428-tprops.png

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

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

::

   lattice:
   - [     5.9656899399999999,     0.0000000000000000,     0.0000000000000000 ] # a
   - [     0.0000000000000000,    18.7335257900000016,     0.0000000000000000 ] # b
   - [     0.0000000000000000,     0.0000000000000000,    10.5175715800000003 ] # c
   points:
   - symbol: O  # 1
     coordinates: [  0.2906987300000000,  0.2903830400000000,  0.1295032700000000 ]
     mass: 15.999400
   - symbol: O  # 2
     coordinates: [  0.7906987300000000,  0.2096169600000000,  0.8704967300000001 ]
     mass: 15.999400
   - symbol: O  # 3
     coordinates: [  0.2093012700000000,  0.7096169600000000,  0.6295032699999999 ]
     mass: 15.999400
   - symbol: O  # 4
     coordinates: [  0.7093012700000000,  0.7903830400000000,  0.3704967300000000 ]
     mass: 15.999400
   - symbol: O  # 5
     coordinates: [  0.7093012700000000,  0.7096169600000000,  0.8704967300000001 ]
     mass: 15.999400
   - symbol: O  # 6
     coordinates: [  0.2093012700000000,  0.7903830400000000,  0.1295032700000000 ]
     mass: 15.999400
   - symbol: O  # 7
     coordinates: [  0.7906987300000000,  0.2903830400000000,  0.3704967300000000 ]
     mass: 15.999400
   - symbol: O  # 8
     coordinates: [  0.2906987300000000,  0.2096169600000000,  0.6295032699999999 ]
     mass: 15.999400
   - symbol: O  # 9
     coordinates: [  0.7017437500000000,  0.8637458600000000,  0.6328803200000001 ]
     mass: 15.999400
   - symbol: O  # 10
     coordinates: [  0.2017437500000000,  0.6362541400000000,  0.3671196800000000 ]
     mass: 15.999400
   - symbol: O  # 11
     coordinates: [  0.2017437500000000,  0.8637458600000000,  0.8671196799999999 ]
     mass: 15.999400
   - symbol: O  # 12
     coordinates: [  0.7017437500000000,  0.6362541400000000,  0.1328803200000000 ]
     mass: 15.999400
   - symbol: O  # 13
     coordinates: [  0.2982562500000000,  0.1362541400000000,  0.3671196800000000 ]
     mass: 15.999400
   - symbol: O  # 14
     coordinates: [  0.7982562500000000,  0.3637458600000000,  0.6328803200000001 ]
     mass: 15.999400
   - symbol: O  # 15
     coordinates: [  0.3873870000000000,  0.3740647700000000,  0.4642643900000000 ]
     mass: 15.999400
   - symbol: O  # 16
     coordinates: [  0.8873870000000000,  0.1259352300000000,  0.5357356100000000 ]
     mass: 15.999400
   - symbol: O  # 17
     coordinates: [  0.1126130000000000,  0.6259352300000000,  0.9642643900000000 ]
     mass: 15.999400
   - symbol: O  # 18
     coordinates: [  0.6126130000000000,  0.8740647700000000,  0.0357356100000000 ]
     mass: 15.999400
   - symbol: O  # 19
     coordinates: [  0.6126130000000000,  0.6259352300000000,  0.5357356100000000 ]
     mass: 15.999400
   - symbol: O  # 20
     coordinates: [  0.1126130000000000,  0.8740647700000000,  0.4642643900000000 ]
     mass: 15.999400
   - symbol: O  # 21
     coordinates: [  0.7982562500000000,  0.1362541400000000,  0.1328803200000000 ]
     mass: 15.999400
   - symbol: O  # 22
     coordinates: [  0.8873870000000000,  0.3740647700000000,  0.0357356100000000 ]
     mass: 15.999400
   - symbol: O  # 23
     coordinates: [  0.3873870000000000,  0.1259352300000000,  0.9642643900000000 ]
     mass: 15.999400
   - symbol: O  # 24
     coordinates: [  0.3351838200000000,  0.0493816000000000,  0.6138256200000000 ]
     mass: 15.999400
   - symbol: O  # 25
     coordinates: [  0.8351838200000000,  0.4506184000000000,  0.3861743800000000 ]
     mass: 15.999400
   - symbol: O  # 26
     coordinates: [  0.1648161800000000,  0.9506184000000000,  0.1138256200000000 ]
     mass: 15.999400
   - symbol: O  # 27
     coordinates: [  0.6648161800000000,  0.5493816000000000,  0.8861743800000000 ]
     mass: 15.999400
   - symbol: O  # 28
     coordinates: [  0.6648161800000000,  0.9506184000000000,  0.3861743800000000 ]
     mass: 15.999400
   - symbol: O  # 29
     coordinates: [  0.1648161800000000,  0.5493816000000000,  0.6138256200000000 ]
     mass: 15.999400
   - symbol: O  # 30
     coordinates: [  0.8351838200000000,  0.0493816000000000,  0.8861743800000000 ]
     mass: 15.999400
   - symbol: O  # 31
     coordinates: [  0.3351838200000000,  0.4506184000000000,  0.1138256200000000 ]
     mass: 15.999400
   - symbol: O  # 32
     coordinates: [  0.2982562500000000,  0.3637458600000000,  0.8671196799999999 ]
     mass: 15.999400
   - symbol: Na # 33
     coordinates: [  0.4362299500000000,  0.2524769200000000,  0.9282518900000000 ]
     mass: 22.989769
   - symbol: Na # 34
     coordinates: [  0.9362299500000000,  0.2475230800000000,  0.0717481100000000 ]
     mass: 22.989769
   - symbol: Na # 35
     coordinates: [  0.0637700500000000,  0.7475230800000000,  0.4282518900000000 ]
     mass: 22.989769
   - symbol: Na # 36
     coordinates: [  0.5637700500000000,  0.7524769200000000,  0.5717481100000000 ]
     mass: 22.989769
   - symbol: Na # 37
     coordinates: [  0.5637700500000000,  0.7475230800000000,  0.0717481100000000 ]
     mass: 22.989769
   - symbol: Na # 38
     coordinates: [  0.0637700500000000,  0.7524769200000000,  0.9282518900000000 ]
     mass: 22.989769
   - symbol: Na # 39
     coordinates: [  0.9362299500000000,  0.2524769200000000,  0.5717481100000000 ]
     mass: 22.989769
   - symbol: Na # 40
     coordinates: [  0.4362299500000000,  0.2475230800000000,  0.4282518900000000 ]
     mass: 22.989769
   - symbol: Na # 41
     coordinates: [  0.4229130700000000,  0.3221350300000000,  0.6759649400000000 ]
     mass: 22.989769
   - symbol: Na # 42
     coordinates: [  0.5770869300000000,  0.8221350300000000,  0.8240350600000000 ]
     mass: 22.989769
   - symbol: Na # 43
     coordinates: [  0.0770869300000000,  0.6778649700000000,  0.1759649400000000 ]
     mass: 22.989769
   - symbol: Na # 44
     coordinates: [  0.0770869300000000,  0.8221350300000000,  0.6759649400000000 ]
     mass: 22.989769
   - symbol: Na # 45
     coordinates: [  0.5770869300000000,  0.6778649700000000,  0.3240350600000000 ]
     mass: 22.989769
   - symbol: Na # 46
     coordinates: [  0.4229130700000000,  0.1778649700000000,  0.1759649400000000 ]
     mass: 22.989769
   - symbol: Na # 47
     coordinates: [  0.9229130700000000,  0.3221350300000000,  0.8240350600000000 ]
     mass: 22.989769
   - symbol: Na # 48
     coordinates: [  0.6091103000000000,  0.3542801600000000,  0.1951990200000000 ]
     mass: 22.989769
   - symbol: Na # 49
     coordinates: [  0.1091103000000000,  0.1457198400000000,  0.8048009800000000 ]
     mass: 22.989769
   - symbol: Na # 50
     coordinates: [  0.8908897000000000,  0.6457198400000000,  0.6951990200000000 ]
     mass: 22.989769
   - symbol: Na # 51
     coordinates: [  0.3908897000000000,  0.6457198400000000,  0.8048009800000000 ]
     mass: 22.989769
   - symbol: Na # 52
     coordinates: [  0.8908897000000000,  0.8542801600000000,  0.1951990200000000 ]
     mass: 22.989769
   - symbol: Na # 53
     coordinates: [  0.1091103000000000,  0.3542801600000000,  0.3048009800000000 ]
     mass: 22.989769
   - symbol: Na # 54
     coordinates: [  0.6091103000000000,  0.1457198400000000,  0.6951990200000000 ]
     mass: 22.989769
   - symbol: Na # 55
     coordinates: [  0.9042987600000000,  0.5669352200000000,  0.4441184300000000 ]
     mass: 22.989769
   - symbol: Na # 56
     coordinates: [  0.4042987600000000,  0.9330647800000000,  0.5558815700000000 ]
     mass: 22.989769
   - symbol: Na # 57
     coordinates: [  0.5957012400000000,  0.4330647800000000,  0.9441184300000000 ]
     mass: 22.989769
   - symbol: Na # 58
     coordinates: [  0.0957012400000000,  0.0669352200000000,  0.0558815700000000 ]
     mass: 22.989769
   - symbol: Na # 59
     coordinates: [  0.0957012400000000,  0.4330647800000000,  0.5558815700000000 ]
     mass: 22.989769
   - symbol: Na # 60
     coordinates: [  0.5957012400000000,  0.0669352200000000,  0.4441184300000000 ]
     mass: 22.989769
   - symbol: Na # 61
     coordinates: [  0.4042987600000000,  0.5669352200000000,  0.0558815700000000 ]
     mass: 22.989769
   - symbol: Na # 62
     coordinates: [  0.9042987600000000,  0.9330647800000000,  0.9441184300000000 ]
     mass: 22.989769
   - symbol: Na # 63
     coordinates: [  0.9229130700000000,  0.1778649700000000,  0.3240350600000000 ]
     mass: 22.989769
   - symbol: Na # 64
     coordinates: [  0.3908897000000000,  0.8542801600000000,  0.3048009800000000 ]
     mass: 22.989769
   - symbol: K  # 65
     coordinates: [  0.4088173000000000,  0.5029674300000000,  0.3438232000000000 ]
     mass: 39.098300
   - symbol: K  # 66
     coordinates: [  0.9088173000000001,  0.9970325700000000,  0.6561768000000000 ]
     mass: 39.098300
   - symbol: K  # 67
     coordinates: [  0.0911827000000000,  0.4970325700000000,  0.8438232000000000 ]
     mass: 39.098300
   - symbol: K  # 68
     coordinates: [  0.5911826999999999,  0.0029674300000000,  0.1561768000000000 ]
     mass: 39.098300
   - symbol: K  # 69
     coordinates: [  0.5911826999999999,  0.4970325700000000,  0.6561768000000000 ]
     mass: 39.098300
   - symbol: K  # 70
     coordinates: [  0.0911827000000000,  0.0029674300000000,  0.3438232000000000 ]
     mass: 39.098300
   - symbol: K  # 71
     coordinates: [  0.9088173000000001,  0.5029674300000000,  0.1561768000000000 ]
     mass: 39.098300
   - symbol: K  # 72
     coordinates: [  0.4088173000000000,  0.9970325700000000,  0.8438232000000000 ]
     mass: 39.098300
   - symbol: Ga # 73
     coordinates: [  0.7002175200000000,  0.3716462900000000,  0.4627738200000000 ]
     mass: 69.723000
   - symbol: Ga # 74
     coordinates: [  0.2002175200000000,  0.1283537100000000,  0.5372261800000000 ]
     mass: 69.723000
   - symbol: Ga # 75
     coordinates: [  0.7997824800000000,  0.6283537100000000,  0.9627738200000000 ]
     mass: 69.723000
   - symbol: Ga # 76
     coordinates: [  0.2997824800000000,  0.8716462900000000,  0.0372261800000000 ]
     mass: 69.723000
   - symbol: Ga # 77
     coordinates: [  0.2997824800000000,  0.6283537100000000,  0.5372261800000000 ]
     mass: 69.723000
   - symbol: Ga # 78
     coordinates: [  0.7997824800000000,  0.8716462900000000,  0.4627738200000000 ]
     mass: 69.723000
   - symbol: Ga # 79
     coordinates: [  0.2002175200000000,  0.3716462900000000,  0.0372261800000000 ]
     mass: 69.723000
   - symbol: Ga # 80
     coordinates: [  0.7002175200000000,  0.1283537100000000,  0.9627738200000000 ]
     mass: 69.723000
   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
   - 65
   - 66
   - 67
   - 68
   - 69
   - 70
   - 71
   - 72
   - 73
   - 74
   - 75
   - 76
   - 77
   - 78
   - 79
   - 80

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