Materials id 7593 / RbLiF2 / C2/c (15)
==============================================================================

- Date page updated: 2018-4-17
- Space group type: C2/c (15) / -C 2yc
- Number of formula units (Z): 8
- Phonon raw data: :download:`mp-7593-20180417.tar.lzma <./mp-7593-20180417.tar.lzma>`
- Link to Materials Project: `https://www.materialsproject.org/materials/mp-7593/ <https://www.materialsproject.org/materials/mp-7593/>`_

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

.. image:: mp-7593-band.png

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

.. image:: mp-7593-dos.png

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

Imaginary modes are excluded if they exist.

.. image:: mp-7593-tprops.png

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

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

::

   lattice:
   - [     5.7983238999999998,     0.0000000000000000,    -0.0184015300000000 ] # a
   - [     0.0000000000000000,    11.1455377799999997,     0.0000000000000000 ] # b
   - [    -0.8364241100000001,     0.0000000000000000,     7.7703364500000003 ] # c
   points:
   - symbol: Li # 1
     coordinates: [  0.2577062200000000,  0.6985034800000000,  0.6396262900000000 ]
     mass: 6.941000
   - symbol: Li # 2
     coordinates: [  0.2422937800000000,  0.8014965200000000,  0.3603737100000000 ]
     mass: 6.941000
   - symbol: Li # 3
     coordinates: [  0.7577062200000000,  0.8014965200000000,  0.1396262900000000 ]
     mass: 6.941000
   - symbol: Li # 4
     coordinates: [  0.7422937800000000,  0.6985034800000000,  0.8603737100000000 ]
     mass: 6.941000
   - symbol: Li # 5
     coordinates: [  0.7577062200000000,  0.1985034800000000,  0.6396262900000000 ]
     mass: 6.941000
   - symbol: Li # 6
     coordinates: [  0.7422937800000000,  0.3014965200000000,  0.3603737100000000 ]
     mass: 6.941000
   - symbol: Li # 7
     coordinates: [  0.2577062200000000,  0.3014965200000000,  0.1396262900000000 ]
     mass: 6.941000
   - symbol: Li # 8
     coordinates: [  0.2422937800000000,  0.1985034800000000,  0.8603737100000000 ]
     mass: 6.941000
   - symbol: F  # 9
     coordinates: [  0.5000000000000000,  0.6122765800000000,  0.7500000000000000 ]
     mass: 18.998403
   - symbol: F  # 10
     coordinates: [  0.5000000000000000,  0.8108872499999999,  0.2500000000000000 ]
     mass: 18.998403
   - symbol: F  # 11
     coordinates: [  0.0000000000000000,  0.8877234200000000,  0.2500000000000000 ]
     mass: 18.998403
   - symbol: F  # 12
     coordinates: [  0.0000000000000000,  0.6891127500000001,  0.7500000000000000 ]
     mass: 18.998403
   - symbol: F  # 13
     coordinates: [  0.7078717200000000,  0.8611025700000000,  0.9161602900000000 ]
     mass: 18.998403
   - symbol: F  # 14
     coordinates: [  0.2921282800000000,  0.8611025700000000,  0.5838397100000000 ]
     mass: 18.998403
   - symbol: F  # 15
     coordinates: [  0.7921282800000000,  0.6388974300000000,  0.0838397100000000 ]
     mass: 18.998403
   - symbol: F  # 16
     coordinates: [  0.2078717200000000,  0.6388974300000000,  0.4161602900000000 ]
     mass: 18.998403
   - symbol: F  # 17
     coordinates: [  0.0000000000000000,  0.1122765800000000,  0.7500000000000000 ]
     mass: 18.998403
   - symbol: F  # 18
     coordinates: [  0.0000000000000000,  0.3108872500000000,  0.2500000000000000 ]
     mass: 18.998403
   - symbol: F  # 19
     coordinates: [  0.5000000000000000,  0.3877234200000000,  0.2500000000000000 ]
     mass: 18.998403
   - symbol: F  # 20
     coordinates: [  0.5000000000000000,  0.1891127500000000,  0.7500000000000000 ]
     mass: 18.998403
   - symbol: F  # 21
     coordinates: [  0.2078717200000000,  0.3611025700000000,  0.9161602900000000 ]
     mass: 18.998403
   - symbol: F  # 22
     coordinates: [  0.7921282800000000,  0.3611025700000000,  0.5838397100000000 ]
     mass: 18.998403
   - symbol: F  # 23
     coordinates: [  0.2921282800000000,  0.1388974300000000,  0.0838397100000000 ]
     mass: 18.998403
   - symbol: F  # 24
     coordinates: [  0.7078717200000000,  0.1388974300000000,  0.4161602900000000 ]
     mass: 18.998403
   - symbol: Rb # 25
     coordinates: [  0.2682311900000000,  0.5908816500000000,  0.0678907100000000 ]
     mass: 85.467800
   - symbol: Rb # 26
     coordinates: [  0.7317688100000000,  0.5908816500000000,  0.4321092900000000 ]
     mass: 85.467800
   - symbol: Rb # 27
     coordinates: [  0.2317688100000000,  0.9091183500000000,  0.9321092900000000 ]
     mass: 85.467800
   - symbol: Rb # 28
     coordinates: [  0.7682311900000000,  0.9091183500000000,  0.5678907100000000 ]
     mass: 85.467800
   - symbol: Rb # 29
     coordinates: [  0.7682311900000000,  0.0908816500000000,  0.0678907100000000 ]
     mass: 85.467800
   - symbol: Rb # 30
     coordinates: [  0.2317688100000000,  0.0908816500000000,  0.4321092900000000 ]
     mass: 85.467800
   - symbol: Rb # 31
     coordinates: [  0.7317688100000000,  0.4091183500000000,  0.9321092900000000 ]
     mass: 85.467800
   - symbol: Rb # 32
     coordinates: [  0.2682311900000000,  0.4091183500000000,  0.5678907100000000 ]
     mass: 85.467800
   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
   - 31
   - 32

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