Materials id 16605 / Sr2TmTaO6 / 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-16605-20180417.tar.lzma <./mp-16605-20180417.tar.lzma>`
- Link to Materials Project: `https://www.materialsproject.org/materials/mp-16605/ <https://www.materialsproject.org/materials/mp-16605/>`_

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

.. image:: mp-16605-band.png

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

.. image:: mp-16605-dos.png

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

Imaginary modes are excluded if they exist.

.. image:: mp-16605-tprops.png

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

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

::

   lattice:
   - [     5.7571217700000004,     0.0000000000000000,     0.0001320000000000 ] # a
   - [     0.0000000000000000,     5.8235744900000004,     0.0000000000000000 ] # b
   - [    -5.7331435300000004,     0.0000000000000000,     8.1665128199999995 ] # c
   points:
   - symbol: O  # 1
     coordinates: [  0.6843691300000000,  0.9784273800000000,  0.2626440400000000 ]
     mass: 15.999400
   - symbol: O  # 2
     coordinates: [  0.3156308700000000,  0.4784273800000000,  0.2373559600000000 ]
     mass: 15.999400
   - symbol: O  # 3
     coordinates: [  0.3156308700000000,  0.0215726200000000,  0.7373559600000000 ]
     mass: 15.999400
   - symbol: O  # 4
     coordinates: [  0.6843691300000000,  0.5215726200000000,  0.7626440400000000 ]
     mass: 15.999400
   - symbol: O  # 5
     coordinates: [  0.1564561000000000,  0.2750318900000000,  0.4569119500000000 ]
     mass: 15.999400
   - symbol: O  # 6
     coordinates: [  0.8435439000000000,  0.7750318899999999,  0.0430880500000000 ]
     mass: 15.999400
   - symbol: O  # 7
     coordinates: [  0.8435439000000000,  0.7249681100000001,  0.5430880500000000 ]
     mass: 15.999400
   - symbol: O  # 8
     coordinates: [  0.1564561000000000,  0.2249681100000000,  0.9569119500000000 ]
     mass: 15.999400
   - symbol: O  # 9
     coordinates: [  0.2342077500000000,  0.7017325900000000,  0.9599306200000000 ]
     mass: 15.999400
   - symbol: O  # 10
     coordinates: [  0.7657922500000000,  0.2017325900000000,  0.5400693800000000 ]
     mass: 15.999400
   - symbol: O  # 11
     coordinates: [  0.7657922500000000,  0.2982674100000000,  0.0400693800000000 ]
     mass: 15.999400
   - symbol: O  # 12
     coordinates: [  0.2342077500000000,  0.7982674100000000,  0.4599306200000000 ]
     mass: 15.999400
   - symbol: Sr # 13
     coordinates: [  0.7578368800000000,  0.9650063300000000,  0.7496838600000000 ]
     mass: 87.620000
   - symbol: Sr # 14
     coordinates: [  0.2421631200000000,  0.4650063300000000,  0.7503161400000000 ]
     mass: 87.620000
   - symbol: Sr # 15
     coordinates: [  0.7578368800000000,  0.5349936700000000,  0.2496838600000000 ]
     mass: 87.620000
   - symbol: Sr # 16
     coordinates: [  0.2421631200000000,  0.0349936700000000,  0.2503161400000000 ]
     mass: 87.620000
   - symbol: Tm # 17
     coordinates: [  0.5000000000000000,  0.5000000000000000,  0.5000000000000000 ]
     mass: 168.934210
   - symbol: Tm # 18
     coordinates: [  0.5000000000000000,  0.0000000000000000,  0.0000000000000000 ]
     mass: 168.934210
   - symbol: Ta # 19
     coordinates: [  0.0000000000000000,  0.0000000000000000,  0.5000000000000000 ]
     mass: 180.947880
   - symbol: Ta # 20
     coordinates: [  0.0000000000000000,  0.5000000000000000,  0.0000000000000000 ]
     mass: 180.947880
   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