Materials id 17433 / NaSr4(SbO4)3 / P2_1/c (14)
==============================================================================

- Date page updated: 2018-4-17
- Space group type: P2_1/c (14) / -P 2ybc
- Number of formula units (Z): 2
- Phonon raw data: :download:`mp-17433-20180417.tar.lzma <./mp-17433-20180417.tar.lzma>`
- Link to Materials Project: `https://www.materialsproject.org/materials/mp-17433/ <https://www.materialsproject.org/materials/mp-17433/>`_

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

.. image:: mp-17433-band.png

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

.. image:: mp-17433-dos.png

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

Imaginary modes are excluded if they exist.

.. image:: mp-17433-tprops.png

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

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

::

   lattice:
   - [     8.1276021000000007,     0.0000000000000000,    -0.0007384400000000 ] # a
   - [     0.0000000000000000,     8.1041878300000008,     0.0000000000000000 ] # b
   - [    -8.0381029900000005,     0.0000000000000000,     8.1313854200000009 ] # c
   points:
   - symbol: O  # 1
     coordinates: [  0.7108918700000000,  0.5383363600000000,  0.9605683300000000 ]
     mass: 15.999400
   - symbol: O  # 2
     coordinates: [  0.2891081300000000,  0.0383363600000000,  0.5394316700000000 ]
     mass: 15.999400
   - symbol: O  # 3
     coordinates: [  0.2891081300000000,  0.4616636400000000,  0.0394316700000000 ]
     mass: 15.999400
   - symbol: O  # 4
     coordinates: [  0.7108918700000000,  0.9616636400000000,  0.4605683300000000 ]
     mass: 15.999400
   - symbol: O  # 5
     coordinates: [  0.0182017400000000,  0.7498776000000000,  0.4702645700000000 ]
     mass: 15.999400
   - symbol: O  # 6
     coordinates: [  0.9817982600000000,  0.2498776000000000,  0.0297354300000000 ]
     mass: 15.999400
   - symbol: O  # 7
     coordinates: [  0.9817982600000000,  0.2501224000000000,  0.5297354300000000 ]
     mass: 15.999400
   - symbol: O  # 8
     coordinates: [  0.0182017400000000,  0.7501224000000000,  0.9702645700000000 ]
     mass: 15.999400
   - symbol: O  # 9
     coordinates: [  0.2130964900000000,  0.5410015200000000,  0.7504356100000000 ]
     mass: 15.999400
   - symbol: O  # 10
     coordinates: [  0.7869035100000000,  0.0410015200000000,  0.7495643900000000 ]
     mass: 15.999400
   - symbol: O  # 11
     coordinates: [  0.7869035100000000,  0.4589984800000000,  0.2495643900000000 ]
     mass: 15.999400
   - symbol: O  # 12
     coordinates: [  0.2130964900000000,  0.9589984800000000,  0.2504356100000000 ]
     mass: 15.999400
   - symbol: O  # 13
     coordinates: [  0.5182842400000000,  0.7706536100000000,  0.5435728100000000 ]
     mass: 15.999400
   - symbol: O  # 14
     coordinates: [  0.4817157600000000,  0.2706536100000000,  0.9564271900000000 ]
     mass: 15.999400
   - symbol: O  # 15
     coordinates: [  0.4817157600000000,  0.2293463900000000,  0.4564271900000000 ]
     mass: 15.999400
   - symbol: O  # 16
     coordinates: [  0.5182842400000000,  0.7293463900000000,  0.0435728100000000 ]
     mass: 15.999400
   - symbol: O  # 17
     coordinates: [  0.2635866800000000,  0.0391021100000000,  0.0353990400000000 ]
     mass: 15.999400
   - symbol: O  # 18
     coordinates: [  0.7364133200000000,  0.5391021100000000,  0.4646009600000000 ]
     mass: 15.999400
   - symbol: O  # 19
     coordinates: [  0.7364133200000000,  0.9608978900000000,  0.9646009600000000 ]
     mass: 15.999400
   - symbol: O  # 20
     coordinates: [  0.2635866800000000,  0.4608978900000000,  0.5353990400000000 ]
     mass: 15.999400
   - symbol: O  # 21
     coordinates: [  0.8064853900000000,  0.0368738000000000,  0.2709570200000000 ]
     mass: 15.999400
   - symbol: O  # 22
     coordinates: [  0.1935146100000000,  0.5368738000000000,  0.2290429800000000 ]
     mass: 15.999400
   - symbol: O  # 23
     coordinates: [  0.1935146100000000,  0.9631262000000000,  0.7290429800000000 ]
     mass: 15.999400
   - symbol: O  # 24
     coordinates: [  0.8064853900000000,  0.4631262000000000,  0.7709570200000000 ]
     mass: 15.999400
   - symbol: Na # 25
     coordinates: [  0.5000000000000000,  0.5000000000000000,  0.5000000000000000 ]
     mass: 22.989769
   - symbol: Na # 26
     coordinates: [  0.5000000000000000,  0.0000000000000000,  0.0000000000000000 ]
     mass: 22.989769
   - symbol: Sr # 27
     coordinates: [  0.5321251500000000,  0.2548805700000000,  0.7634009500000000 ]
     mass: 87.620000
   - symbol: Sr # 28
     coordinates: [  0.4678748500000000,  0.7548805700000000,  0.7365990500000000 ]
     mass: 87.620000
   - symbol: Sr # 29
     coordinates: [  0.9560087500000000,  0.7454336100000000,  0.7223331600000000 ]
     mass: 87.620000
   - symbol: Sr # 30
     coordinates: [  0.0439912500000000,  0.2454336100000000,  0.7776668400000000 ]
     mass: 87.620000
   - symbol: Sr # 31
     coordinates: [  0.4678748500000000,  0.7451194300000000,  0.2365990500000000 ]
     mass: 87.620000
   - symbol: Sr # 32
     coordinates: [  0.5321251500000000,  0.2451194300000000,  0.2634009500000000 ]
     mass: 87.620000
   - symbol: Sr # 33
     coordinates: [  0.9560087500000000,  0.7545663900000000,  0.2223331600000000 ]
     mass: 87.620000
   - symbol: Sr # 34
     coordinates: [  0.0439912500000000,  0.2545663900000000,  0.2776668400000000 ]
     mass: 87.620000
   - symbol: Sb # 35
     coordinates: [  0.0000000000000000,  0.0000000000000000,  0.5000000000000000 ]
     mass: 121.760000
   - symbol: Sb # 36
     coordinates: [  0.0000000000000000,  0.5000000000000000,  0.0000000000000000 ]
     mass: 121.760000
   - symbol: Sb # 37
     coordinates: [  0.5000000000000000,  0.0000000000000000,  0.5000000000000000 ]
     mass: 121.760000
   - symbol: Sb # 38
     coordinates: [  0.5000000000000000,  0.5000000000000000,  0.0000000000000000 ]
     mass: 121.760000
   - symbol: Sb # 39
     coordinates: [  0.0000000000000000,  0.0000000000000000,  0.0000000000000000 ]
     mass: 121.760000
   - symbol: Sb # 40
     coordinates: [  0.0000000000000000,  0.5000000000000000,  0.5000000000000000 ]
     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

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