Materials id 14565 / K3P6N11 / P4_132 (213)
==============================================================================

- Date page updated: 2018-4-17
- Space group type: P4_132 (213) / P 4bd 2ab 3
- Number of formula units (Z): 4
- Phonon raw data: :download:`mp-14565-20180417.tar.lzma <./mp-14565-20180417.tar.lzma>`
- Link to Materials Project: `https://www.materialsproject.org/materials/mp-14565/ <https://www.materialsproject.org/materials/mp-14565/>`_

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

.. image:: mp-14565-band.png

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

.. image:: mp-14565-dos.png

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

Imaginary modes are excluded if they exist.

.. image:: mp-14565-tprops.png

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

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

::

   lattice:
   - [    10.4361209499999994,     0.0000000000000000,     0.0000000000000000 ] # a
   - [     0.0000000000000000,    10.4361209499999994,     0.0000000000000000 ] # b
   - [     0.0000000000000000,     0.0000000000000000,    10.4361209499999994 ] # c
   points:
   - symbol: N  # 1
     coordinates: [  0.5463928700000000,  0.5463928700000000,  0.5463928700000000 ]
     mass: 14.006700
   - symbol: N  # 2
     coordinates: [  0.7963928700000000,  0.7036071300000000,  0.2963928700000000 ]
     mass: 14.006700
   - symbol: N  # 3
     coordinates: [  0.7036071300000000,  0.2963928700000000,  0.7963928700000000 ]
     mass: 14.006700
   - symbol: N  # 4
     coordinates: [  0.2963928700000000,  0.7963928700000000,  0.7036071300000000 ]
     mass: 14.006700
   - symbol: N  # 5
     coordinates: [  0.0463928700000000,  0.9536071300000000,  0.4536071300000000 ]
     mass: 14.006700
   - symbol: N  # 6
     coordinates: [  0.9536071300000000,  0.4536071300000000,  0.0463928700000000 ]
     mass: 14.006700
   - symbol: N  # 7
     coordinates: [  0.4536071300000000,  0.0463928700000000,  0.9536071300000000 ]
     mass: 14.006700
   - symbol: N  # 8
     coordinates: [  0.2036071300000000,  0.2036071300000000,  0.2036071300000000 ]
     mass: 14.006700
   - symbol: N  # 9
     coordinates: [  0.6250000000000000,  0.3023280300000000,  0.5523280300000000 ]
     mass: 14.006700
   - symbol: N  # 10
     coordinates: [  0.6976719700000000,  0.0523280300000000,  0.8750000000000000 ]
     mass: 14.006700
   - symbol: N  # 11
     coordinates: [  0.5523280300000000,  0.6250000000000000,  0.3023280300000000 ]
     mass: 14.006700
   - symbol: N  # 12
     coordinates: [  0.9476719700000000,  0.3750000000000000,  0.8023280300000000 ]
     mass: 14.006700
   - symbol: N  # 13
     coordinates: [  0.3023280300000000,  0.5523280300000000,  0.6250000000000000 ]
     mass: 14.006700
   - symbol: N  # 14
     coordinates: [  0.4476719700000000,  0.1250000000000000,  0.1976719700000000 ]
     mass: 14.006700
   - symbol: N  # 15
     coordinates: [  0.0523280300000000,  0.8750000000000000,  0.6976719700000000 ]
     mass: 14.006700
   - symbol: N  # 16
     coordinates: [  0.8023280300000000,  0.9476719700000000,  0.3750000000000000 ]
     mass: 14.006700
   - symbol: N  # 17
     coordinates: [  0.1976719700000000,  0.4476719700000000,  0.1250000000000000 ]
     mass: 14.006700
   - symbol: N  # 18
     coordinates: [  0.8750000000000000,  0.6976719700000000,  0.0523280300000000 ]
     mass: 14.006700
   - symbol: N  # 19
     coordinates: [  0.3750000000000000,  0.8023280300000000,  0.9476719700000000 ]
     mass: 14.006700
   - symbol: N  # 20
     coordinates: [  0.2788822900000000,  0.0134905200000000,  0.3548946300000000 ]
     mass: 14.006700
   - symbol: N  # 21
     coordinates: [  0.1250000000000000,  0.1976719700000000,  0.4476719700000000 ]
     mass: 14.006700
   - symbol: N  # 22
     coordinates: [  0.2365094800000000,  0.0288822900000000,  0.6048946300000000 ]
     mass: 14.006700
   - symbol: N  # 23
     coordinates: [  0.4711177100000000,  0.3951053700000000,  0.7365094800000000 ]
     mass: 14.006700
   - symbol: N  # 24
     coordinates: [  0.5288822900000000,  0.8951053700000000,  0.7634905200000000 ]
     mass: 14.006700
   - symbol: N  # 25
     coordinates: [  0.3951053700000000,  0.7365094800000000,  0.4711177100000000 ]
     mass: 14.006700
   - symbol: N  # 26
     coordinates: [  0.1048946300000000,  0.2634905200000000,  0.9711177100000000 ]
     mass: 14.006700
   - symbol: N  # 27
     coordinates: [  0.4865094800000000,  0.6451053700000000,  0.7788822900000000 ]
     mass: 14.006700
   - symbol: N  # 28
     coordinates: [  0.9865094800000000,  0.8548946300000000,  0.2211177100000000 ]
     mass: 14.006700
   - symbol: N  # 29
     coordinates: [  0.5134905200000000,  0.1451053700000000,  0.7211177100000000 ]
     mass: 14.006700
   - symbol: N  # 30
     coordinates: [  0.8548946300000000,  0.2211177100000000,  0.9865094800000000 ]
     mass: 14.006700
   - symbol: N  # 31
     coordinates: [  0.7211177100000000,  0.5134905200000000,  0.1451053700000000 ]
     mass: 14.006700
   - symbol: N  # 32
     coordinates: [  0.2211177100000000,  0.9865094800000000,  0.8548946300000000 ]
     mass: 14.006700
   - symbol: N  # 33
     coordinates: [  0.6451053700000000,  0.7788822900000000,  0.4865094800000000 ]
     mass: 14.006700
   - symbol: N  # 34
     coordinates: [  0.7788822900000000,  0.4865094800000000,  0.6451053700000000 ]
     mass: 14.006700
   - symbol: N  # 35
     coordinates: [  0.1451053700000000,  0.7211177100000000,  0.5134905200000000 ]
     mass: 14.006700
   - symbol: N  # 36
     coordinates: [  0.3548946300000000,  0.2788822900000000,  0.0134905200000000 ]
     mass: 14.006700
   - symbol: N  # 37
     coordinates: [  0.0134905200000000,  0.3548946300000000,  0.2788822900000000 ]
     mass: 14.006700
   - symbol: N  # 38
     coordinates: [  0.2634905200000000,  0.9711177100000000,  0.1048946300000000 ]
     mass: 14.006700
   - symbol: N  # 39
     coordinates: [  0.7634905200000000,  0.5288822900000000,  0.8951053700000000 ]
     mass: 14.006700
   - symbol: N  # 40
     coordinates: [  0.0288822900000000,  0.6048946300000000,  0.2365094800000000 ]
     mass: 14.006700
   - symbol: N  # 41
     coordinates: [  0.9711177100000000,  0.1048946300000000,  0.2634905200000000 ]
     mass: 14.006700
   - symbol: N  # 42
     coordinates: [  0.8951053700000000,  0.7634905200000000,  0.5288822900000000 ]
     mass: 14.006700
   - symbol: N  # 43
     coordinates: [  0.6048946300000000,  0.2365094800000000,  0.0288822900000000 ]
     mass: 14.006700
   - symbol: N  # 44
     coordinates: [  0.7365094800000000,  0.4711177100000000,  0.3951053700000000 ]
     mass: 14.006700
   - symbol: P  # 45
     coordinates: [  0.6777041200000000,  0.4484968300000000,  0.5340745200000000 ]
     mass: 30.973762
   - symbol: P  # 46
     coordinates: [  0.1777041200000000,  0.0515031700000000,  0.4659254800000000 ]
     mass: 30.973762
   - symbol: P  # 47
     coordinates: [  0.4484968300000000,  0.5340745200000000,  0.6777041200000000 ]
     mass: 30.973762
   - symbol: P  # 48
     coordinates: [  0.5515031700000000,  0.0340745200000000,  0.8222958800000000 ]
     mass: 30.973762
   - symbol: P  # 49
     coordinates: [  0.5340745200000000,  0.6777041200000000,  0.4484968300000000 ]
     mass: 30.973762
   - symbol: P  # 50
     coordinates: [  0.9659254800000000,  0.3222958800000000,  0.9484968300000000 ]
     mass: 30.973762
   - symbol: P  # 51
     coordinates: [  0.4277041200000000,  0.7840745200000000,  0.8015031700000000 ]
     mass: 30.973762
   - symbol: P  # 52
     coordinates: [  0.9277041200000000,  0.7159254800000000,  0.1984968300000000 ]
     mass: 30.973762
   - symbol: P  # 53
     coordinates: [  0.5722958800000000,  0.2840745200000000,  0.6984968300000000 ]
     mass: 30.973762
   - symbol: P  # 54
     coordinates: [  0.7159254800000000,  0.1984968300000000,  0.9277041200000000 ]
     mass: 30.973762
   - symbol: P  # 55
     coordinates: [  0.6984968300000000,  0.5722958800000000,  0.2840745200000000 ]
     mass: 30.973762
   - symbol: P  # 56
     coordinates: [  0.1984968300000000,  0.9277041200000000,  0.7159254800000000 ]
     mass: 30.973762
   - symbol: P  # 57
     coordinates: [  0.7840745200000000,  0.8015031700000000,  0.4277041200000000 ]
     mass: 30.973762
   - symbol: P  # 58
     coordinates: [  0.8015031700000000,  0.4277041200000000,  0.7840745200000000 ]
     mass: 30.973762
   - symbol: P  # 59
     coordinates: [  0.2840745200000000,  0.6984968300000000,  0.5722958800000000 ]
     mass: 30.973762
   - symbol: P  # 60
     coordinates: [  0.2159254800000000,  0.3015031700000000,  0.0722958800000000 ]
     mass: 30.973762
   - symbol: P  # 61
     coordinates: [  0.3015031700000000,  0.0722958800000000,  0.2159254800000000 ]
     mass: 30.973762
   - symbol: P  # 62
     coordinates: [  0.4659254800000000,  0.1777041200000000,  0.0515031700000000 ]
     mass: 30.973762
   - symbol: P  # 63
     coordinates: [  0.0340745200000000,  0.8222958800000000,  0.5515031700000000 ]
     mass: 30.973762
   - symbol: P  # 64
     coordinates: [  0.9484968300000000,  0.9659254800000000,  0.3222958800000000 ]
     mass: 30.973762
   - symbol: P  # 65
     coordinates: [  0.0515031700000000,  0.4659254800000000,  0.1777041200000000 ]
     mass: 30.973762
   - symbol: P  # 66
     coordinates: [  0.8222958800000000,  0.5515031700000000,  0.0340745200000000 ]
     mass: 30.973762
   - symbol: P  # 67
     coordinates: [  0.3222958800000000,  0.9484968300000000,  0.9659254800000000 ]
     mass: 30.973762
   - symbol: P  # 68
     coordinates: [  0.0722958800000000,  0.2159254800000000,  0.3015031700000000 ]
     mass: 30.973762
   - symbol: K  # 69
     coordinates: [  0.0003842700000000,  0.0003842700000000,  0.0003842700000000 ]
     mass: 39.098300
   - symbol: K  # 70
     coordinates: [  0.2503842700000000,  0.2496157300000000,  0.7503842700000000 ]
     mass: 39.098300
   - symbol: K  # 71
     coordinates: [  0.2496157300000000,  0.7503842700000000,  0.2503842700000000 ]
     mass: 39.098300
   - symbol: K  # 72
     coordinates: [  0.7503842700000000,  0.2503842700000000,  0.2496157300000000 ]
     mass: 39.098300
   - symbol: K  # 73
     coordinates: [  0.5003842700000000,  0.4996157300000000,  0.9996157300000000 ]
     mass: 39.098300
   - symbol: K  # 74
     coordinates: [  0.4996157300000000,  0.9996157300000000,  0.5003842700000000 ]
     mass: 39.098300
   - symbol: K  # 75
     coordinates: [  0.9996157300000000,  0.5003842700000000,  0.4996157300000000 ]
     mass: 39.098300
   - symbol: K  # 76
     coordinates: [  0.7496157300000000,  0.7496157300000000,  0.7496157300000000 ]
     mass: 39.098300
   - symbol: K  # 77
     coordinates: [  0.8750000000000000,  0.1250000000000000,  0.6250000000000000 ]
     mass: 39.098300
   - symbol: K  # 78
     coordinates: [  0.1250000000000000,  0.6250000000000000,  0.8750000000000000 ]
     mass: 39.098300
   - symbol: K  # 79
     coordinates: [  0.6250000000000000,  0.8750000000000000,  0.1250000000000000 ]
     mass: 39.098300
   - symbol: K  # 80
     coordinates: [  0.3750000000000000,  0.3750000000000000,  0.3750000000000000 ]
     mass: 39.098300
   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