Materials id 9842 / RbSm(CO3)2 / C2/c (15)
==============================================================================

- Date page updated: 2018-4-17
- Space group type: C2/c (15) / -C 2yc
- Number of formula units (Z): 4
- Phonon raw data: :download:`mp-9842-20180417.tar.lzma <./mp-9842-20180417.tar.lzma>`
- Link to Materials Project: `https://www.materialsproject.org/materials/mp-9842/ <https://www.materialsproject.org/materials/mp-9842/>`_

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

.. image:: mp-9842-band.png

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

.. image:: mp-9842-dos.png

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

Imaginary modes are excluded if they exist.

.. image:: mp-9842-tprops.png

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

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

::

   lattice:
   - [     8.7166471100000003,     0.0000000000000000,     0.0754715000000000 ] # a
   - [     0.0000000000000000,     9.6271753499999999,     0.0000000000000000 ] # b
   - [    -2.5651335500000001,     0.0000000000000000,     6.6673196499999996 ] # c
   points:
   - symbol: C  # 1
     coordinates: [  0.7272700400000000,  0.1234700200000000,  0.7505815100000000 ]
     mass: 12.010700
   - symbol: C  # 2
     coordinates: [  0.2727299600000000,  0.1234700200000000,  0.7494184900000000 ]
     mass: 12.010700
   - symbol: C  # 3
     coordinates: [  0.2727299600000000,  0.8765299800000000,  0.2494184900000000 ]
     mass: 12.010700
   - symbol: C  # 4
     coordinates: [  0.7272700400000000,  0.8765299800000000,  0.2505815100000000 ]
     mass: 12.010700
   - symbol: C  # 5
     coordinates: [  0.2272700400000000,  0.6234700200000000,  0.7505815100000000 ]
     mass: 12.010700
   - symbol: C  # 6
     coordinates: [  0.7727299600000000,  0.6234700200000000,  0.7494184900000000 ]
     mass: 12.010700
   - symbol: C  # 7
     coordinates: [  0.7727299600000000,  0.3765299800000000,  0.2494184900000000 ]
     mass: 12.010700
   - symbol: C  # 8
     coordinates: [  0.2272700400000000,  0.3765299800000000,  0.2505815100000000 ]
     mass: 12.010700
   - symbol: O  # 9
     coordinates: [  0.3243426400000000,  0.2746600100000000,  0.2662282100000000 ]
     mass: 15.999400
   - symbol: O  # 10
     coordinates: [  0.6756573600000000,  0.2746600100000000,  0.2337717900000000 ]
     mass: 15.999400
   - symbol: O  # 11
     coordinates: [  0.6756573600000000,  0.7253399900000000,  0.7337717900000000 ]
     mass: 15.999400
   - symbol: O  # 12
     coordinates: [  0.3243426400000000,  0.7253399900000000,  0.7662282100000000 ]
     mass: 15.999400
   - symbol: O  # 13
     coordinates: [  0.7601158800000000,  0.9765760999999999,  0.3791292000000000 ]
     mass: 15.999400
   - symbol: O  # 14
     coordinates: [  0.2398841200000000,  0.9765760999999999,  0.1208708000000000 ]
     mass: 15.999400
   - symbol: O  # 15
     coordinates: [  0.2398841200000000,  0.0234239000000000,  0.6208707999999999 ]
     mass: 15.999400
   - symbol: O  # 16
     coordinates: [  0.7601158800000000,  0.0234239000000000,  0.8791292000000001 ]
     mass: 15.999400
   - symbol: O  # 17
     coordinates: [  0.5847292200000000,  0.8834873700000000,  0.1040867200000000 ]
     mass: 15.999400
   - symbol: O  # 18
     coordinates: [  0.4152707800000000,  0.8834873700000000,  0.3959132800000000 ]
     mass: 15.999400
   - symbol: O  # 19
     coordinates: [  0.4152707800000000,  0.1165126300000000,  0.8959132800000000 ]
     mass: 15.999400
   - symbol: O  # 20
     coordinates: [  0.5847292200000000,  0.1165126300000000,  0.6040867200000000 ]
     mass: 15.999400
   - symbol: O  # 21
     coordinates: [  0.8243426400000000,  0.7746600100000000,  0.2662282100000000 ]
     mass: 15.999400
   - symbol: O  # 22
     coordinates: [  0.1756573600000000,  0.7746600100000000,  0.2337717900000000 ]
     mass: 15.999400
   - symbol: O  # 23
     coordinates: [  0.1756573600000000,  0.2253399900000000,  0.7337717900000000 ]
     mass: 15.999400
   - symbol: O  # 24
     coordinates: [  0.8243426400000000,  0.2253399900000000,  0.7662282100000000 ]
     mass: 15.999400
   - symbol: O  # 25
     coordinates: [  0.2601158800000000,  0.4765761000000000,  0.3791292000000000 ]
     mass: 15.999400
   - symbol: O  # 26
     coordinates: [  0.7398841200000000,  0.4765761000000000,  0.1208708000000000 ]
     mass: 15.999400
   - symbol: O  # 27
     coordinates: [  0.7398841200000000,  0.5234239000000001,  0.6208707999999999 ]
     mass: 15.999400
   - symbol: O  # 28
     coordinates: [  0.2601158800000000,  0.5234239000000001,  0.8791292000000001 ]
     mass: 15.999400
   - symbol: O  # 29
     coordinates: [  0.0847292200000000,  0.3834873700000000,  0.1040867200000000 ]
     mass: 15.999400
   - symbol: O  # 30
     coordinates: [  0.9152707800000000,  0.3834873700000000,  0.3959132800000000 ]
     mass: 15.999400
   - symbol: O  # 31
     coordinates: [  0.9152707800000000,  0.6165126300000000,  0.8959132800000000 ]
     mass: 15.999400
   - symbol: O  # 32
     coordinates: [  0.0847292200000000,  0.6165126300000000,  0.6040867200000000 ]
     mass: 15.999400
   - symbol: Rb # 33
     coordinates: [  0.5000000000000000,  0.6168254500000000,  0.2500000000000000 ]
     mass: 85.467800
   - symbol: Rb # 34
     coordinates: [  0.5000000000000000,  0.3831745500000000,  0.7500000000000000 ]
     mass: 85.467800
   - symbol: Rb # 35
     coordinates: [  0.0000000000000000,  0.1168254500000000,  0.2500000000000000 ]
     mass: 85.467800
   - symbol: Rb # 36
     coordinates: [  0.0000000000000000,  0.8831745500000000,  0.7500000000000000 ]
     mass: 85.467800
   - symbol: Sm # 37
     coordinates: [  0.5000000000000000,  0.0958414600000000,  0.2500000000000000 ]
     mass: 150.360000
   - symbol: Sm # 38
     coordinates: [  0.5000000000000000,  0.9041585400000000,  0.7500000000000000 ]
     mass: 150.360000
   - symbol: Sm # 39
     coordinates: [  0.0000000000000000,  0.5958414600000000,  0.2500000000000000 ]
     mass: 150.360000
   - symbol: Sm # 40
     coordinates: [  0.0000000000000000,  0.4041585400000000,  0.7500000000000000 ]
     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
   - 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