Materials id 15547 / Na2ZnGaF7 / C2/c (15)
==============================================================================

- Date page updated: 2018-4-17
- Space group type: C2/c (15) / -C 2yc
- Number of formula units (Z): 16
- Phonon raw data: :download:`mp-15547-20180417.tar.lzma <./mp-15547-20180417.tar.lzma>`
- Link to Materials Project: `https://www.materialsproject.org/materials/mp-15547/ <https://www.materialsproject.org/materials/mp-15547/>`_

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

.. image:: mp-15547-band.png

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

.. image:: mp-15547-dos.png

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

Imaginary modes are excluded if they exist.

.. image:: mp-15547-tprops.png

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

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

::

   lattice:
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   - [     0.0000000600000000,     7.3123502499999997,     0.0000003500000000 ] # b
   - [    -4.0144779499999999,     0.0000008200000000,    24.1054938499999984 ] # c
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     mass: 65.409000
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     coordinates: [  0.8778577000000000,  0.4904989400000000,  0.6279945800000000 ]
     mass: 65.409000
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     coordinates: [  0.1263984000000000,  0.2622760700000000,  0.1258543500000000 ]
     mass: 65.409000
   - symbol: Zn # 158
     coordinates: [  0.8736016200000000,  0.2622763800000000,  0.3741457600000000 ]
     mass: 65.409000
   - symbol: Zn # 159
     coordinates: [  0.8736016000000000,  0.7377239300000000,  0.8741456500000000 ]
     mass: 65.409000
   - symbol: Zn # 160
     coordinates: [  0.1263983800000000,  0.7377236200000000,  0.6258542400000000 ]
     mass: 65.409000
   - symbol: Ga # 161
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     mass: 69.723000
   - symbol: Ga # 163
     coordinates: [  0.4999999700000000,  0.7498420500000000,  0.2500000200000000 ]
     mass: 69.723000
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     mass: 69.723000
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     coordinates: [  0.6263348200000000,  0.2647779700000000,  0.1252293300000000 ]
     mass: 69.723000
   - symbol: Ga # 166
     coordinates: [  0.3736651700000000,  0.2647782900000000,  0.3747706900000000 ]
     mass: 69.723000
   - symbol: Ga # 167
     coordinates: [  0.3736651800000000,  0.7352220300000000,  0.8747706700000000 ]
     mass: 69.723000
   - symbol: Ga # 168
     coordinates: [  0.6263348300000000,  0.7352217100000000,  0.6252293100000000 ]
     mass: 69.723000
   - symbol: Ga # 169
     coordinates: [  0.7500000000000000,  0.7500000000000000,  0.0000000000000000 ]
     mass: 69.723000
   - symbol: Ga # 170
     coordinates: [  0.7500000000000000,  0.2500000000000000,  0.5000000000000000 ]
     mass: 69.723000
   - symbol: Ga # 171
     coordinates: [  0.9999999700000000,  0.2498420500000000,  0.2500000200000000 ]
     mass: 69.723000
   - symbol: Ga # 172
     coordinates: [  0.0000000300000000,  0.7501579500000000,  0.7499999800000000 ]
     mass: 69.723000
   - symbol: Ga # 173
     coordinates: [  0.1263348200000000,  0.7647779700000000,  0.1252293300000000 ]
     mass: 69.723000
   - symbol: Ga # 174
     coordinates: [  0.8736651700000000,  0.7647782900000000,  0.3747706900000000 ]
     mass: 69.723000
   - symbol: Ga # 175
     coordinates: [  0.8736651800000000,  0.2352220300000000,  0.8747706700000000 ]
     mass: 69.723000
   - symbol: Ga # 176
     coordinates: [  0.1263348300000000,  0.2352217100000000,  0.6252293100000000 ]
     mass: 69.723000
   poscar_order:
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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