Materials id 8496 / Sr2SmNbO6 / 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-8496-20180417.tar.lzma <./mp-8496-20180417.tar.lzma>`
- Link to Materials Project: `https://www.materialsproject.org/materials/mp-8496/ <https://www.materialsproject.org/materials/mp-8496/>`_

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

.. image:: mp-8496-band.png

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

.. image:: mp-8496-dos.png

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

Imaginary modes are excluded if they exist.

.. image:: mp-8496-tprops.png

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

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

::

   lattice:
   - [     5.8255803899999998,     0.0000000000000000,     0.0013327700000000 ] # a
   - [     0.0000000000000000,     5.9688206199999998,     0.0000000000000000 ] # b
   - [    -5.7848072899999998,     0.0000000000000000,     8.3032692400000006 ] # c
   points:
   - symbol: O  # 1
     coordinates: [  0.6330859400000000,  0.7764071100000000,  0.9459367500000000 ]
     mass: 15.999400
   - symbol: O  # 2
     coordinates: [  0.3669140600000000,  0.2764071100000000,  0.5540632500000000 ]
     mass: 15.999400
   - symbol: O  # 3
     coordinates: [  0.3669140600000000,  0.2235928900000000,  0.0540632500000000 ]
     mass: 15.999400
   - symbol: O  # 4
     coordinates: [  0.6330859400000000,  0.7235928900000000,  0.4459367500000000 ]
     mass: 15.999400
   - symbol: O  # 5
     coordinates: [  0.1735795500000000,  0.0337081400000000,  0.2679945900000000 ]
     mass: 15.999400
   - symbol: O  # 6
     coordinates: [  0.8264204500000000,  0.5337081400000000,  0.2320054100000000 ]
     mass: 15.999400
   - symbol: O  # 7
     coordinates: [  0.8264204500000000,  0.9662918600000000,  0.7320054100000000 ]
     mass: 15.999400
   - symbol: O  # 8
     coordinates: [  0.1735795500000000,  0.4662918600000000,  0.7679945900000000 ]
     mass: 15.999400
   - symbol: O  # 9
     coordinates: [  0.2704919300000000,  0.6907530400000000,  0.0473284900000000 ]
     mass: 15.999400
   - symbol: O  # 10
     coordinates: [  0.7295080700000000,  0.1907530400000000,  0.4526715100000000 ]
     mass: 15.999400
   - symbol: O  # 11
     coordinates: [  0.7295080700000000,  0.3092469600000000,  0.9526715100000001 ]
     mass: 15.999400
   - symbol: O  # 12
     coordinates: [  0.2704919300000000,  0.8092469600000000,  0.5473284899999999 ]
     mass: 15.999400
   - symbol: Sr # 13
     coordinates: [  0.2609314100000000,  0.0452837700000000,  0.7488533600000000 ]
     mass: 87.620000
   - symbol: Sr # 14
     coordinates: [  0.7390685900000000,  0.5452837699999999,  0.7511466400000000 ]
     mass: 87.620000
   - symbol: Sr # 15
     coordinates: [  0.7390685900000000,  0.9547162300000001,  0.2511466400000000 ]
     mass: 87.620000
   - symbol: Sr # 16
     coordinates: [  0.2609314100000000,  0.4547162300000000,  0.2488533600000000 ]
     mass: 87.620000
   - symbol: Nb # 17
     coordinates: [  0.5000000000000000,  0.5000000000000000,  0.0000000000000000 ]
     mass: 92.906380
   - symbol: Nb # 18
     coordinates: [  0.5000000000000000,  0.0000000000000000,  0.5000000000000000 ]
     mass: 92.906380
   - symbol: Sm # 19
     coordinates: [  0.0000000000000000,  0.5000000000000000,  0.5000000000000000 ]
     mass: 150.360000
   - symbol: Sm # 20
     coordinates: [  0.0000000000000000,  0.0000000000000000,  0.0000000000000000 ]
     mass: 150.360000
   poscar_order:
   - 1
   - 2
   - 3
   - 4
   - 5
   - 6
   - 7
   - 8
   - 9
   - 10
   - 11
   - 12
   - 13
   - 14
   - 15
   - 16
   - 17
   - 18
   - 19
   - 20

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