Materials id 4482 / NaSbO3 / R-3 (148)
==============================================================================

- Date page updated: 2018-4-17
- Space group type: R-3 (148) / -R 3
- Number of formula units (Z): 6
- Phonon raw data: :download:`mp-4482-20180417.tar.lzma <./mp-4482-20180417.tar.lzma>`
- Link to Materials Project: `https://www.materialsproject.org/materials/mp-4482/ <https://www.materialsproject.org/materials/mp-4482/>`_

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

.. image:: mp-4482-band.png

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

.. image:: mp-4482-dos.png

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

Imaginary modes are excluded if they exist.

.. image:: mp-4482-tprops.png

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

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

::

   lattice:
   - [     5.3347600899999996,     0.0000000800000000,     0.0000000000000000 ] # a
   - [    -2.6673800999999999,     4.6200377100000001,     0.0000000000000000 ] # b
   - [     0.0000000000000000,     0.0000000000000000,    16.0230345000000014 ] # c
   points:
   - symbol: O  # 1
     coordinates: [  0.2776621300000000,  0.9548294899999999,  0.7625354600000001 ]
     mass: 15.999400
   - symbol: O  # 2
     coordinates: [  0.0451705100000000,  0.3228326500000000,  0.7625354600000001 ]
     mass: 15.999400
   - symbol: O  # 3
     coordinates: [  0.6771673499999999,  0.7223378700000000,  0.7625354600000001 ]
     mass: 15.999400
   - symbol: O  # 4
     coordinates: [  0.0556712000000000,  0.7118371800000000,  0.9041312100000000 ]
     mass: 15.999400
   - symbol: O  # 5
     coordinates: [  0.6561659800000000,  0.9443288000000000,  0.9041312100000000 ]
     mass: 15.999400
   - symbol: O  # 6
     coordinates: [  0.2881628200000000,  0.3438340200000000,  0.9041312100000000 ]
     mass: 15.999400
   - symbol: O  # 7
     coordinates: [  0.9443288000000000,  0.2881628200000000,  0.0958687900000000 ]
     mass: 15.999400
   - symbol: O  # 8
     coordinates: [  0.7118371800000000,  0.6561659800000000,  0.0958687900000000 ]
     mass: 15.999400
   - symbol: O  # 9
     coordinates: [  0.3438340200000000,  0.0556712000000000,  0.0958687900000000 ]
     mass: 15.999400
   - symbol: O  # 10
     coordinates: [  0.7223378700000000,  0.0451705100000000,  0.2374645400000000 ]
     mass: 15.999400
   - symbol: O  # 11
     coordinates: [  0.3228326500000000,  0.2776621300000000,  0.2374645400000000 ]
     mass: 15.999400
   - symbol: O  # 12
     coordinates: [  0.9548294899999999,  0.6771673499999999,  0.2374645400000000 ]
     mass: 15.999400
   - symbol: O  # 13
     coordinates: [  0.6109954700000000,  0.6214961500000000,  0.4292021300000000 ]
     mass: 15.999400
   - symbol: O  # 14
     coordinates: [  0.3785038500000000,  0.9894993100000000,  0.4292021300000000 ]
     mass: 15.999400
   - symbol: O  # 15
     coordinates: [  0.0105006900000000,  0.3890045300000000,  0.4292021300000000 ]
     mass: 15.999400
   - symbol: O  # 16
     coordinates: [  0.3890045300000000,  0.3785038500000000,  0.5707978700000000 ]
     mass: 15.999400
   - symbol: O  # 17
     coordinates: [  0.9894993100000000,  0.6109954700000000,  0.5707978700000000 ]
     mass: 15.999400
   - symbol: O  # 18
     coordinates: [  0.6214961500000000,  0.0105006900000000,  0.5707978700000000 ]
     mass: 15.999400
   - symbol: Na # 19
     coordinates: [  0.6666666700000000,  0.3333333300000000,  0.6946886000000000 ]
     mass: 22.989769
   - symbol: Na # 20
     coordinates: [  0.6666666700000000,  0.3333333300000000,  0.9719780600000000 ]
     mass: 22.989769
   - symbol: Na # 21
     coordinates: [  0.3333333300000000,  0.6666666700000000,  0.0280219400000000 ]
     mass: 22.989769
   - symbol: Na # 22
     coordinates: [  0.3333333300000000,  0.6666666700000000,  0.3053114000000000 ]
     mass: 22.989769
   - symbol: Na # 23
     coordinates: [  0.0000000000000000,  0.0000000000000000,  0.3613552700000000 ]
     mass: 22.989769
   - symbol: Na # 24
     coordinates: [  0.0000000000000000,  0.0000000000000000,  0.6386447300000000 ]
     mass: 22.989769
   - symbol: Sb # 25
     coordinates: [  0.3333333300000000,  0.6666666700000000,  0.8275993500000000 ]
     mass: 121.760000
   - symbol: Sb # 26
     coordinates: [  0.0000000000000000,  0.0000000000000000,  0.8390673199999999 ]
     mass: 121.760000
   - symbol: Sb # 27
     coordinates: [  0.0000000000000000,  0.0000000000000000,  0.1609326800000000 ]
     mass: 121.760000
   - symbol: Sb # 28
     coordinates: [  0.6666666700000000,  0.3333333300000000,  0.1724006500000000 ]
     mass: 121.760000
   - symbol: Sb # 29
     coordinates: [  0.6666666700000000,  0.3333333300000000,  0.4942660100000000 ]
     mass: 121.760000
   - symbol: Sb # 30
     coordinates: [  0.3333333300000000,  0.6666666700000000,  0.5057339900000000 ]
     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

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