Materials id 14276 / RhPb2F7 / P2_1/c (14)
==============================================================================

- Date page updated: 2018-4-17
- Space group type: P2_1/c (14) / -P 2ybc
- Number of formula units (Z): 4
- Phonon raw data: :download:`mp-14276-20180417.tar.lzma <./mp-14276-20180417.tar.lzma>`
- Link to Materials Project: `https://www.materialsproject.org/materials/mp-14276/ <https://www.materialsproject.org/materials/mp-14276/>`_

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

.. image:: mp-14276-band.png

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

.. image:: mp-14276-dos.png

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

Imaginary modes are excluded if they exist.

.. image:: mp-14276-tprops.png

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

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

::

   lattice:
   - [     5.5623994799999998,     0.0000000000000000,     0.0036889200000000 ] # a
   - [     0.0000000000000000,    11.8463921499999998,     0.0000000000000000 ] # b
   - [    -0.0961891100000000,     0.0000000000000000,     8.7542180900000002 ] # c
   points:
   - symbol: F  # 1
     coordinates: [  0.4927151300000000,  0.2223423900000000,  0.7799967900000000 ]
     mass: 18.998403
   - symbol: F  # 2
     coordinates: [  0.5072848700000000,  0.7223423900000000,  0.7200032100000000 ]
     mass: 18.998403
   - symbol: F  # 3
     coordinates: [  0.5072848700000000,  0.7776576100000000,  0.2200032100000000 ]
     mass: 18.998403
   - symbol: F  # 4
     coordinates: [  0.4927151300000000,  0.2776576100000000,  0.2799967900000000 ]
     mass: 18.998403
   - symbol: F  # 5
     coordinates: [  0.9896550800000000,  0.2304923700000000,  0.3137405400000000 ]
     mass: 18.998403
   - symbol: F  # 6
     coordinates: [  0.0103449200000000,  0.7304923700000000,  0.1862594600000000 ]
     mass: 18.998403
   - symbol: F  # 7
     coordinates: [  0.0103449200000000,  0.7695076300000000,  0.6862594600000000 ]
     mass: 18.998403
   - symbol: F  # 8
     coordinates: [  0.9896550800000000,  0.2695076300000000,  0.8137405400000000 ]
     mass: 18.998403
   - symbol: F  # 9
     coordinates: [  0.7133349800000000,  0.6650583700000000,  0.4686656500000000 ]
     mass: 18.998403
   - symbol: F  # 10
     coordinates: [  0.2866650200000000,  0.1650583700000000,  0.0313343500000000 ]
     mass: 18.998403
   - symbol: F  # 11
     coordinates: [  0.2866650200000000,  0.3349416300000000,  0.5313343500000000 ]
     mass: 18.998403
   - symbol: F  # 12
     coordinates: [  0.7133349800000000,  0.8349416300000000,  0.9686656500000000 ]
     mass: 18.998403
   - symbol: F  # 13
     coordinates: [  0.3927667800000000,  0.6046382300000001,  0.9934165600000000 ]
     mass: 18.998403
   - symbol: F  # 14
     coordinates: [  0.6072332200000000,  0.1046382300000000,  0.5065834400000000 ]
     mass: 18.998403
   - symbol: F  # 15
     coordinates: [  0.6072332200000000,  0.3953617700000000,  0.0065834400000000 ]
     mass: 18.998403
   - symbol: F  # 16
     coordinates: [  0.3927667800000000,  0.8953617699999999,  0.4934165600000000 ]
     mass: 18.998403
   - symbol: F  # 17
     coordinates: [  0.3838083500000000,  0.5098117700000000,  0.3188628900000000 ]
     mass: 18.998403
   - symbol: F  # 18
     coordinates: [  0.6161916500000000,  0.0098117700000000,  0.1811371100000000 ]
     mass: 18.998403
   - symbol: F  # 19
     coordinates: [  0.6161916500000000,  0.4901882300000000,  0.6811371100000000 ]
     mass: 18.998403
   - symbol: F  # 20
     coordinates: [  0.3838083500000000,  0.9901882300000000,  0.8188628900000000 ]
     mass: 18.998403
   - symbol: F  # 21
     coordinates: [  0.1008769700000000,  0.5523941900000000,  0.6277538900000000 ]
     mass: 18.998403
   - symbol: F  # 22
     coordinates: [  0.8991230300000000,  0.0523941900000000,  0.8722461100000000 ]
     mass: 18.998403
   - symbol: F  # 23
     coordinates: [  0.8991230300000000,  0.4476058100000000,  0.3722461100000000 ]
     mass: 18.998403
   - symbol: F  # 24
     coordinates: [  0.1008769700000000,  0.9476058100000000,  0.1277538900000000 ]
     mass: 18.998403
   - symbol: F  # 25
     coordinates: [  0.9156565600000000,  0.5987115800000000,  0.8943847300000000 ]
     mass: 18.998403
   - symbol: F  # 26
     coordinates: [  0.0843434400000000,  0.0987115800000000,  0.6056152700000000 ]
     mass: 18.998403
   - symbol: F  # 27
     coordinates: [  0.0843434400000000,  0.4012884200000000,  0.1056152700000000 ]
     mass: 18.998403
   - symbol: F  # 28
     coordinates: [  0.9156565600000000,  0.9012884200000000,  0.3943847300000000 ]
     mass: 18.998403
   - symbol: Rh # 29
     coordinates: [  0.1948303900000000,  0.3679945800000000,  0.3174343100000000 ]
     mass: 102.905500
   - symbol: Rh # 30
     coordinates: [  0.8051696100000000,  0.8679945800000000,  0.1825656900000000 ]
     mass: 102.905500
   - symbol: Rh # 31
     coordinates: [  0.8051696100000000,  0.6320054200000000,  0.6825656900000000 ]
     mass: 102.905500
   - symbol: Rh # 32
     coordinates: [  0.1948303900000000,  0.1320054200000000,  0.8174343100000000 ]
     mass: 102.905500
   - symbol: Pb # 33
     coordinates: [  0.2669875700000000,  0.0549013500000000,  0.3483091600000000 ]
     mass: 207.200000
   - symbol: Pb # 34
     coordinates: [  0.7330124300000000,  0.5549013500000000,  0.1516908400000000 ]
     mass: 207.200000
   - symbol: Pb # 35
     coordinates: [  0.7330124300000000,  0.9450986500000000,  0.6516908400000000 ]
     mass: 207.200000
   - symbol: Pb # 36
     coordinates: [  0.2669875700000000,  0.4450986500000000,  0.8483091600000000 ]
     mass: 207.200000
   - symbol: Pb # 37
     coordinates: [  0.7166736600000000,  0.2060559100000000,  0.0479376700000000 ]
     mass: 207.200000
   - symbol: Pb # 38
     coordinates: [  0.2833263400000000,  0.7060559100000000,  0.4520623300000000 ]
     mass: 207.200000
   - symbol: Pb # 39
     coordinates: [  0.2833263400000000,  0.7939440900000000,  0.9520623300000000 ]
     mass: 207.200000
   - symbol: Pb # 40
     coordinates: [  0.7166736600000000,  0.2939440900000000,  0.5479376700000000 ]
     mass: 207.200000
   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
   - 33
   - 34
   - 35
   - 36
   - 37
   - 38
   - 39
   - 40

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