Materials id 230 / SbO2 / Pna2_1 (33)
==============================================================================

- Date page updated: 2018-4-17
- Space group type: Pna2_1 (33) / P 2c -2n
- Number of formula units (Z): 8
- Phonon raw data: :download:`mp-230-20180417.tar.lzma <./mp-230-20180417.tar.lzma>`
- Link to Materials Project: `https://www.materialsproject.org/materials/mp-230/ <https://www.materialsproject.org/materials/mp-230/>`_

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

.. image:: mp-230-band.png

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

.. image:: mp-230-dos.png

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

Imaginary modes are excluded if they exist.

.. image:: mp-230-tprops.png

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

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

::

   lattice:
   - [     5.4706299300000003,     0.0000000000000000,     0.0000000000000000 ] # a
   - [     0.0000000000000000,     4.8403914900000000,     0.0000000000000000 ] # b
   - [     0.0000000000000000,     0.0000000000000000,    11.7750773800000008 ] # c
   points:
   - symbol: O  # 1
     coordinates: [  0.8496753700000000,  0.6668337800000000,  0.9051791400000000 ]
     mass: 15.999400
   - symbol: O  # 2
     coordinates: [  0.1503246300000000,  0.3331662200000000,  0.4051791400000000 ]
     mass: 15.999400
   - symbol: O  # 3
     coordinates: [  0.3496753700000000,  0.8331662200000000,  0.9051791400000000 ]
     mass: 15.999400
   - symbol: O  # 4
     coordinates: [  0.6503246300000000,  0.1668337800000000,  0.4051791400000000 ]
     mass: 15.999400
   - symbol: O  # 5
     coordinates: [  0.5757172800000000,  0.3044511800000000,  0.8066835300000000 ]
     mass: 15.999400
   - symbol: O  # 6
     coordinates: [  0.4242827200000000,  0.6955488200000000,  0.3066835300000000 ]
     mass: 15.999400
   - symbol: O  # 7
     coordinates: [  0.0757172800000000,  0.1955488200000000,  0.8066835300000000 ]
     mass: 15.999400
   - symbol: O  # 8
     coordinates: [  0.9242827200000000,  0.8044511800000000,  0.3066835300000000 ]
     mass: 15.999400
   - symbol: O  # 9
     coordinates: [  0.6844918700000000,  0.8408606100000000,  0.0921620700000000 ]
     mass: 15.999400
   - symbol: O  # 10
     coordinates: [  0.3155081300000000,  0.1591393900000000,  0.5921620700000000 ]
     mass: 15.999400
   - symbol: O  # 11
     coordinates: [  0.1844918700000000,  0.6591393900000000,  0.0921620700000000 ]
     mass: 15.999400
   - symbol: O  # 12
     coordinates: [  0.8155081300000000,  0.3408606100000000,  0.5921620700000000 ]
     mass: 15.999400
   - symbol: O  # 13
     coordinates: [  0.8436471600000000,  0.3000833600000000,  0.1865649900000000 ]
     mass: 15.999400
   - symbol: O  # 14
     coordinates: [  0.1563528400000000,  0.6999166400000000,  0.6865649900000000 ]
     mass: 15.999400
   - symbol: O  # 15
     coordinates: [  0.3436471600000000,  0.1999166400000000,  0.1865649900000000 ]
     mass: 15.999400
   - symbol: O  # 16
     coordinates: [  0.6563528400000000,  0.8000833600000000,  0.6865649900000000 ]
     mass: 15.999400
   - symbol: Sb # 17
     coordinates: [  0.4753694700000000,  0.4690439000000000,  0.4990323200000000 ]
     mass: 121.760000
   - symbol: Sb # 18
     coordinates: [  0.5246305300000000,  0.5309561000000000,  0.9990323200000000 ]
     mass: 121.760000
   - symbol: Sb # 19
     coordinates: [  0.9753694700000000,  0.0309561000000000,  0.4990323200000000 ]
     mass: 121.760000
   - symbol: Sb # 20
     coordinates: [  0.0246305300000000,  0.9690439000000000,  0.9990323200000000 ]
     mass: 121.760000
   - symbol: Sb # 21
     coordinates: [  0.8707691800000000,  0.5016906800000001,  0.7469779900000000 ]
     mass: 121.760000
   - symbol: Sb # 22
     coordinates: [  0.1292308200000000,  0.4983093200000000,  0.2469779900000000 ]
     mass: 121.760000
   - symbol: Sb # 23
     coordinates: [  0.3707691800000000,  0.9983093199999999,  0.7469779900000000 ]
     mass: 121.760000
   - symbol: Sb # 24
     coordinates: [  0.6292308200000000,  0.0016906800000000,  0.2469779900000000 ]
     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

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