Materials id 3928 / Na5P3O10 / C2/c (15)
==============================================================================

- Date page updated: 2018-4-17
- Space group type: C2/c (15) / -C 2yc
- Number of formula units (Z): 4
- Phonon raw data: :download:`mp-3928-20180417.tar.lzma <./mp-3928-20180417.tar.lzma>`
- Link to Materials Project: `https://www.materialsproject.org/materials/mp-3928/ <https://www.materialsproject.org/materials/mp-3928/>`_

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

.. image:: mp-3928-band.png

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

.. image:: mp-3928-dos.png

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

Imaginary modes are excluded if they exist.

.. image:: mp-3928-tprops.png

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

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

::

   lattice:
   - [    16.0074399800000009,     0.0000000000000000,     0.0649969800000000 ] # a
   - [     0.0000000000000000,     5.2299083199999998,     0.0000000000000000 ] # b
   - [    -0.6387428900000000,     0.0000000000000000,    11.2258332900000006 ] # c
   points:
   - symbol: O  # 1
     coordinates: [  0.2195967400000000,  0.0527932400000000,  0.3527820100000000 ]
     mass: 15.999400
   - symbol: O  # 2
     coordinates: [  0.1181113900000000,  0.9071769900000000,  0.0192921900000000 ]
     mass: 15.999400
   - symbol: O  # 3
     coordinates: [  0.3818886100000000,  0.4071769900000000,  0.4807078100000000 ]
     mass: 15.999400
   - symbol: O  # 4
     coordinates: [  0.3818886100000000,  0.5928230100000000,  0.9807078100000000 ]
     mass: 15.999400
   - symbol: O  # 5
     coordinates: [  0.1181113900000000,  0.0928230100000000,  0.5192921900000000 ]
     mass: 15.999400
   - symbol: O  # 6
     coordinates: [  0.2195967400000000,  0.9472067600000000,  0.8527820100000000 ]
     mass: 15.999400
   - symbol: O  # 7
     coordinates: [  0.0387880000000000,  0.4543067700000000,  0.1520625600000000 ]
     mass: 15.999400
   - symbol: O  # 8
     coordinates: [  0.4612120000000000,  0.9543067700000000,  0.3479374400000000 ]
     mass: 15.999400
   - symbol: O  # 9
     coordinates: [  0.4612120000000000,  0.0456932300000000,  0.8479374400000000 ]
     mass: 15.999400
   - symbol: O  # 10
     coordinates: [  0.0387880000000000,  0.5456932300000000,  0.6520625600000000 ]
     mass: 15.999400
   - symbol: O  # 11
     coordinates: [  0.0664616800000000,  0.1028664700000000,  0.3062647300000000 ]
     mass: 15.999400
   - symbol: O  # 12
     coordinates: [  0.4335383200000000,  0.6028664700000000,  0.1937352700000000 ]
     mass: 15.999400
   - symbol: O  # 13
     coordinates: [  0.4335383200000000,  0.3971335300000000,  0.6937352700000000 ]
     mass: 15.999400
   - symbol: O  # 14
     coordinates: [  0.0664616800000000,  0.8971335300000000,  0.8062647300000000 ]
     mass: 15.999400
   - symbol: O  # 15
     coordinates: [  0.2804032600000000,  0.5527932400000000,  0.1472179900000000 ]
     mass: 15.999400
   - symbol: O  # 16
     coordinates: [  0.3495611100000000,  0.9879162300000000,  0.1076363000000000 ]
     mass: 15.999400
   - symbol: O  # 17
     coordinates: [  0.3495611100000000,  0.0120837700000000,  0.6076363000000000 ]
     mass: 15.999400
   - symbol: O  # 18
     coordinates: [  0.1504388900000000,  0.5120837700000000,  0.8923637000000000 ]
     mass: 15.999400
   - symbol: O  # 19
     coordinates: [  0.1504388900000000,  0.4879162300000000,  0.3923637000000000 ]
     mass: 15.999400
   - symbol: O  # 20
     coordinates: [  0.2804032600000000,  0.4472067600000000,  0.6472179900000000 ]
     mass: 15.999400
   - symbol: O  # 21
     coordinates: [  0.7195967400000000,  0.5527932400000000,  0.3527820100000000 ]
     mass: 15.999400
   - symbol: O  # 22
     coordinates: [  0.6181113900000000,  0.4071769900000000,  0.0192921900000000 ]
     mass: 15.999400
   - symbol: O  # 23
     coordinates: [  0.8818886100000000,  0.9071769900000000,  0.4807078100000000 ]
     mass: 15.999400
   - symbol: O  # 24
     coordinates: [  0.8818886100000000,  0.0928230100000000,  0.9807078100000000 ]
     mass: 15.999400
   - symbol: O  # 25
     coordinates: [  0.6181113900000000,  0.5928230100000000,  0.5192921900000000 ]
     mass: 15.999400
   - symbol: O  # 26
     coordinates: [  0.7195967400000000,  0.4472067600000000,  0.8527820100000000 ]
     mass: 15.999400
   - symbol: O  # 27
     coordinates: [  0.5387880000000000,  0.9543067700000000,  0.1520625600000000 ]
     mass: 15.999400
   - symbol: O  # 28
     coordinates: [  0.9612120000000000,  0.4543067700000000,  0.3479374400000000 ]
     mass: 15.999400
   - symbol: O  # 29
     coordinates: [  0.9612120000000000,  0.5456932300000000,  0.8479374400000000 ]
     mass: 15.999400
   - symbol: O  # 30
     coordinates: [  0.5387880000000000,  0.0456932300000000,  0.6520625600000000 ]
     mass: 15.999400
   - symbol: O  # 31
     coordinates: [  0.5664616800000000,  0.6028664700000000,  0.3062647300000000 ]
     mass: 15.999400
   - symbol: O  # 32
     coordinates: [  0.9335383200000000,  0.1028664700000000,  0.1937352700000000 ]
     mass: 15.999400
   - symbol: O  # 33
     coordinates: [  0.9335383200000000,  0.8971335300000000,  0.6937352700000000 ]
     mass: 15.999400
   - symbol: O  # 34
     coordinates: [  0.5664616800000000,  0.3971335300000000,  0.8062647300000000 ]
     mass: 15.999400
   - symbol: O  # 35
     coordinates: [  0.7804032600000000,  0.0527932400000000,  0.1472179900000000 ]
     mass: 15.999400
   - symbol: O  # 36
     coordinates: [  0.8495611100000000,  0.4879162300000000,  0.1076363000000000 ]
     mass: 15.999400
   - symbol: O  # 37
     coordinates: [  0.8495611100000000,  0.5120837700000000,  0.6076363000000000 ]
     mass: 15.999400
   - symbol: O  # 38
     coordinates: [  0.6504388900000000,  0.0120837700000000,  0.8923637000000000 ]
     mass: 15.999400
   - symbol: O  # 39
     coordinates: [  0.6504388900000000,  0.9879162300000000,  0.3923637000000000 ]
     mass: 15.999400
   - symbol: O  # 40
     coordinates: [  0.7804032600000000,  0.9472067600000000,  0.6472179900000000 ]
     mass: 15.999400
   - symbol: Na # 41
     coordinates: [  0.4609938900000000,  0.2389963900000000,  0.0388731200000000 ]
     mass: 22.989769
   - symbol: Na # 42
     coordinates: [  0.4609938900000000,  0.7610036100000001,  0.5388731200000000 ]
     mass: 22.989769
   - symbol: Na # 43
     coordinates: [  0.0390061100000000,  0.2610036100000000,  0.9611268800000000 ]
     mass: 22.989769
   - symbol: Na # 44
     coordinates: [  0.1591163800000000,  0.7322696400000001,  0.2076637000000000 ]
     mass: 22.989769
   - symbol: Na # 45
     coordinates: [  0.3408836200000000,  0.2322696400000000,  0.2923363000000000 ]
     mass: 22.989769
   - symbol: Na # 46
     coordinates: [  0.3408836200000000,  0.7677303599999999,  0.7923363000000000 ]
     mass: 22.989769
   - symbol: Na # 47
     coordinates: [  0.2500000000000000,  0.7500000000000000,  0.5000000000000000 ]
     mass: 22.989769
   - symbol: Na # 48
     coordinates: [  0.2500000000000000,  0.2500000000000000,  0.0000000000000000 ]
     mass: 22.989769
   - symbol: Na # 49
     coordinates: [  0.1591163800000000,  0.2677303600000000,  0.7076637000000000 ]
     mass: 22.989769
   - symbol: Na # 50
     coordinates: [  0.0390061100000000,  0.7389963899999999,  0.4611268800000000 ]
     mass: 22.989769
   - symbol: Na # 51
     coordinates: [  0.9609938900000000,  0.7389963899999999,  0.0388731200000000 ]
     mass: 22.989769
   - symbol: Na # 52
     coordinates: [  0.9609938900000000,  0.2610036100000000,  0.5388731200000000 ]
     mass: 22.989769
   - symbol: Na # 53
     coordinates: [  0.5390061100000000,  0.7610036100000001,  0.9611268800000000 ]
     mass: 22.989769
   - symbol: Na # 54
     coordinates: [  0.6591163799999999,  0.2322696400000000,  0.2076637000000000 ]
     mass: 22.989769
   - symbol: Na # 55
     coordinates: [  0.8408836200000001,  0.7322696400000001,  0.2923363000000000 ]
     mass: 22.989769
   - symbol: Na # 56
     coordinates: [  0.8408836200000001,  0.2677303600000000,  0.7923363000000000 ]
     mass: 22.989769
   - symbol: Na # 57
     coordinates: [  0.7500000000000000,  0.2500000000000000,  0.5000000000000000 ]
     mass: 22.989769
   - symbol: Na # 58
     coordinates: [  0.7500000000000000,  0.7500000000000000,  0.0000000000000000 ]
     mass: 22.989769
   - symbol: Na # 59
     coordinates: [  0.6591163799999999,  0.7677303599999999,  0.7076637000000000 ]
     mass: 22.989769
   - symbol: Na # 60
     coordinates: [  0.5390061100000000,  0.2389963900000000,  0.4611268800000000 ]
     mass: 22.989769
   - symbol: P  # 61
     coordinates: [  0.1465499400000000,  0.8020748800000000,  0.9011025800000000 ]
     mass: 30.973762
   - symbol: P  # 62
     coordinates: [  0.3534500600000000,  0.3020748800000000,  0.5988974200000000 ]
     mass: 30.973762
   - symbol: P  # 63
     coordinates: [  0.3534500600000000,  0.6979251200000000,  0.0988974200000000 ]
     mass: 30.973762
   - symbol: P  # 64
     coordinates: [  0.1465499400000000,  0.1979251200000000,  0.4011025800000000 ]
     mass: 30.973762
   - symbol: P  # 65
     coordinates: [  0.0000000000000000,  0.6946996400000000,  0.7500000000000000 ]
     mass: 30.973762
   - symbol: P  # 66
     coordinates: [  0.0000000000000000,  0.3053003600000000,  0.2500000000000000 ]
     mass: 30.973762
   - symbol: P  # 67
     coordinates: [  0.6465499400000000,  0.3020748800000000,  0.9011025800000000 ]
     mass: 30.973762
   - symbol: P  # 68
     coordinates: [  0.8534500600000000,  0.8020748800000000,  0.5988974200000000 ]
     mass: 30.973762
   - symbol: P  # 69
     coordinates: [  0.8534500600000000,  0.1979251200000000,  0.0988974200000000 ]
     mass: 30.973762
   - symbol: P  # 70
     coordinates: [  0.6465499400000000,  0.6979251200000000,  0.4011025800000000 ]
     mass: 30.973762
   - symbol: P  # 71
     coordinates: [  0.5000000000000000,  0.1946996400000000,  0.7500000000000000 ]
     mass: 30.973762
   - symbol: P  # 72
     coordinates: [  0.5000000000000000,  0.8053003600000000,  0.2500000000000000 ]
     mass: 30.973762
   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

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