Materials id 7384 / SmF3 / Pnma (62)
==============================================================================

- Date page updated: 2018-4-17
- Space group type: Pnma (62) / -P 2ac 2n
- Number of formula units (Z): 4
- Phonon raw data: :download:`mp-7384-20180417.tar.lzma <./mp-7384-20180417.tar.lzma>`
- Link to Materials Project: `https://www.materialsproject.org/materials/mp-7384/ <https://www.materialsproject.org/materials/mp-7384/>`_

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

.. image:: mp-7384-band.png

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

.. image:: mp-7384-dos.png

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

Imaginary modes are excluded if they exist.

.. image:: mp-7384-tprops.png

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

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

::

   lattice:
   - [     6.5994573599999997,     0.0000000000000000,     0.0000000000000000 ] # a
   - [     0.0000000000000000,     6.9923283899999999,     0.0000000000000000 ] # b
   - [     0.0000000000000000,     0.0000000000000000,     4.3641958100000000 ] # c
   points:
   - symbol: F  # 1
     coordinates: [  0.4812564000000000,  0.7500000000000000,  0.0755623300000000 ]
     mass: 18.998403
   - symbol: F  # 2
     coordinates: [  0.0187436000000000,  0.2500000000000000,  0.5755623300000000 ]
     mass: 18.998403
   - symbol: F  # 3
     coordinates: [  0.9812564000000000,  0.7500000000000000,  0.4244376700000000 ]
     mass: 18.998403
   - symbol: F  # 4
     coordinates: [  0.5187436000000000,  0.2500000000000000,  0.9244376700000000 ]
     mass: 18.998403
   - symbol: F  # 5
     coordinates: [  0.6651125000000000,  0.0646057700000000,  0.3918349600000000 ]
     mass: 18.998403
   - symbol: F  # 6
     coordinates: [  0.8348875000000000,  0.9353942300000000,  0.8918349600000000 ]
     mass: 18.998403
   - symbol: F  # 7
     coordinates: [  0.1651125000000000,  0.4353942300000000,  0.1081650400000000 ]
     mass: 18.998403
   - symbol: F  # 8
     coordinates: [  0.3348875000000000,  0.5646057700000000,  0.6081650400000000 ]
     mass: 18.998403
   - symbol: F  # 9
     coordinates: [  0.3348875000000000,  0.9353942300000000,  0.6081650400000000 ]
     mass: 18.998403
   - symbol: F  # 10
     coordinates: [  0.1651125000000000,  0.0646057700000000,  0.1081650400000000 ]
     mass: 18.998403
   - symbol: F  # 11
     coordinates: [  0.8348875000000000,  0.5646057700000000,  0.8918349600000000 ]
     mass: 18.998403
   - symbol: F  # 12
     coordinates: [  0.6651125000000000,  0.4353942300000000,  0.3918349600000000 ]
     mass: 18.998403
   - symbol: Sm # 13
     coordinates: [  0.1315424800000000,  0.7500000000000000,  0.9338950200000000 ]
     mass: 150.360000
   - symbol: Sm # 14
     coordinates: [  0.3684575200000000,  0.2500000000000000,  0.4338950200000000 ]
     mass: 150.360000
   - symbol: Sm # 15
     coordinates: [  0.6315424800000000,  0.7500000000000000,  0.5661049800000000 ]
     mass: 150.360000
   - symbol: Sm # 16
     coordinates: [  0.8684575200000000,  0.2500000000000000,  0.0661049800000000 ]
     mass: 150.360000
   poscar_order:
   - 1
   - 2
   - 3
   - 4
   - 5
   - 6
   - 7
   - 8
   - 9
   - 10
   - 11
   - 12
   - 13
   - 14
   - 15
   - 16

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