Materials id 9807 / KDy(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-9807-20180417.tar.lzma <./mp-9807-20180417.tar.lzma>`
- Link to Materials Project: `https://www.materialsproject.org/materials/mp-9807/ <https://www.materialsproject.org/materials/mp-9807/>`_

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

.. image:: mp-9807-band.png

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

.. image:: mp-9807-dos.png

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

Imaginary modes are excluded if they exist.

.. image:: mp-9807-tprops.png

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

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

::

   lattice:
   - [     8.3479580500000008,     0.0000000000000000,     0.0609544600000000 ] # a
   - [     0.0000000000000000,     9.5551505500000005,     0.0000000000000000 ] # b
   - [    -2.3795867999999998,     0.0000000000000000,     6.4917212299999996 ] # c
   points:
   - symbol: C  # 1
     coordinates: [  0.2705386200000000,  0.1267272100000000,  0.7488036800000000 ]
     mass: 12.010700
   - symbol: C  # 2
     coordinates: [  0.7294613800000000,  0.1267272100000000,  0.7511963200000000 ]
     mass: 12.010700
   - symbol: C  # 3
     coordinates: [  0.7294613800000000,  0.8732727900000000,  0.2511963200000000 ]
     mass: 12.010700
   - symbol: C  # 4
     coordinates: [  0.2705386200000000,  0.8732727900000000,  0.2488036800000000 ]
     mass: 12.010700
   - symbol: C  # 5
     coordinates: [  0.7705386200000000,  0.6267272100000000,  0.7488036800000000 ]
     mass: 12.010700
   - symbol: C  # 6
     coordinates: [  0.2294613800000000,  0.6267272100000000,  0.7511963200000000 ]
     mass: 12.010700
   - symbol: C  # 7
     coordinates: [  0.2294613800000000,  0.3732727900000000,  0.2511963200000000 ]
     mass: 12.010700
   - symbol: C  # 8
     coordinates: [  0.7705386200000000,  0.3732727900000000,  0.2488036800000000 ]
     mass: 12.010700
   - symbol: O  # 9
     coordinates: [  0.6758961700000000,  0.2662987600000000,  0.2305317700000000 ]
     mass: 15.999400
   - symbol: O  # 10
     coordinates: [  0.3241038300000000,  0.2662987600000000,  0.2694682300000000 ]
     mass: 15.999400
   - symbol: O  # 11
     coordinates: [  0.3241038300000000,  0.7337012400000000,  0.7694682300000000 ]
     mass: 15.999400
   - symbol: O  # 12
     coordinates: [  0.6758961700000000,  0.7337012400000000,  0.7305317700000000 ]
     mass: 15.999400
   - symbol: O  # 13
     coordinates: [  0.2329806000000000,  0.9758440700000000,  0.1198551900000000 ]
     mass: 15.999400
   - symbol: O  # 14
     coordinates: [  0.7670194000000000,  0.9758440700000000,  0.3801448100000000 ]
     mass: 15.999400
   - symbol: O  # 15
     coordinates: [  0.7670194000000000,  0.0241559300000000,  0.8801448100000000 ]
     mass: 15.999400
   - symbol: O  # 16
     coordinates: [  0.2329806000000000,  0.0241559300000000,  0.6198551900000000 ]
     mass: 15.999400
   - symbol: O  # 17
     coordinates: [  0.4177263600000000,  0.8828591400000000,  0.3983521600000000 ]
     mass: 15.999400
   - symbol: O  # 18
     coordinates: [  0.5822736400000000,  0.8828591400000000,  0.1016478400000000 ]
     mass: 15.999400
   - symbol: O  # 19
     coordinates: [  0.5822736400000000,  0.1171408600000000,  0.6016478400000000 ]
     mass: 15.999400
   - symbol: O  # 20
     coordinates: [  0.4177263600000000,  0.1171408600000000,  0.8983521600000000 ]
     mass: 15.999400
   - symbol: O  # 21
     coordinates: [  0.1758961700000000,  0.7662987600000000,  0.2305317700000000 ]
     mass: 15.999400
   - symbol: O  # 22
     coordinates: [  0.8241038300000000,  0.7662987600000000,  0.2694682300000000 ]
     mass: 15.999400
   - symbol: O  # 23
     coordinates: [  0.8241038300000000,  0.2337012400000000,  0.7694682300000000 ]
     mass: 15.999400
   - symbol: O  # 24
     coordinates: [  0.1758961700000000,  0.2337012400000000,  0.7305317700000000 ]
     mass: 15.999400
   - symbol: O  # 25
     coordinates: [  0.7329806000000000,  0.4758440700000000,  0.1198551900000000 ]
     mass: 15.999400
   - symbol: O  # 26
     coordinates: [  0.2670194000000000,  0.4758440700000000,  0.3801448100000000 ]
     mass: 15.999400
   - symbol: O  # 27
     coordinates: [  0.2670194000000000,  0.5241559300000000,  0.8801448100000000 ]
     mass: 15.999400
   - symbol: O  # 28
     coordinates: [  0.7329806000000000,  0.5241559300000000,  0.6198551900000000 ]
     mass: 15.999400
   - symbol: O  # 29
     coordinates: [  0.9177263600000000,  0.3828591400000000,  0.3983521600000000 ]
     mass: 15.999400
   - symbol: O  # 30
     coordinates: [  0.0822736400000000,  0.3828591400000000,  0.1016478400000000 ]
     mass: 15.999400
   - symbol: O  # 31
     coordinates: [  0.0822736400000000,  0.6171408600000000,  0.6016478400000000 ]
     mass: 15.999400
   - symbol: O  # 32
     coordinates: [  0.9177263600000000,  0.6171408600000000,  0.8983521600000000 ]
     mass: 15.999400
   - symbol: K  # 33
     coordinates: [  0.5000000000000000,  0.6207376800000000,  0.2500000000000000 ]
     mass: 39.098300
   - symbol: K  # 34
     coordinates: [  0.5000000000000000,  0.3792623200000000,  0.7500000000000000 ]
     mass: 39.098300
   - symbol: K  # 35
     coordinates: [  0.0000000000000000,  0.1207376800000000,  0.2500000000000000 ]
     mass: 39.098300
   - symbol: K  # 36
     coordinates: [  0.0000000000000000,  0.8792623200000000,  0.7500000000000000 ]
     mass: 39.098300
   - symbol: Dy # 37
     coordinates: [  0.5000000000000000,  0.0917285300000000,  0.2500000000000000 ]
     mass: 162.500000
   - symbol: Dy # 38
     coordinates: [  0.5000000000000000,  0.9082714700000000,  0.7500000000000000 ]
     mass: 162.500000
   - symbol: Dy # 39
     coordinates: [  0.0000000000000000,  0.5917285300000000,  0.2500000000000000 ]
     mass: 162.500000
   - symbol: Dy # 40
     coordinates: [  0.0000000000000000,  0.4082714700000000,  0.7500000000000000 ]
     mass: 162.500000
   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