Materials id 10914 / K3Cu5O4 / 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-10914-20180417.tar.lzma <./mp-10914-20180417.tar.lzma>`
- Link to Materials Project: `https://www.materialsproject.org/materials/mp-10914/ <https://www.materialsproject.org/materials/mp-10914/>`_

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

.. image:: mp-10914-band.png

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

.. image:: mp-10914-dos.png

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

Imaginary modes are excluded if they exist.

.. image:: mp-10914-tprops.png

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

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

::

   lattice:
   - [     9.5059161000000003,     0.0000000000000000,    -0.0070910800000000 ] # a
   - [     0.0000000000000000,     7.1114910399999998,     0.0000000000000000 ] # b
   - [    -4.0839956099999997,     0.0000000000000000,    13.1503305699999995 ] # c
   points:
   - symbol: O  # 1
     coordinates: [  0.1120754400000000,  0.4267791700000000,  0.4012358300000000 ]
     mass: 15.999400
   - symbol: O  # 2
     coordinates: [  0.9805968400000000,  0.5589260800000000,  0.8747933000000000 ]
     mass: 15.999400
   - symbol: O  # 3
     coordinates: [  0.9805968400000000,  0.9410739200000000,  0.3747933000000000 ]
     mass: 15.999400
   - symbol: O  # 4
     coordinates: [  0.0194031600000000,  0.0589260800000000,  0.6252067000000000 ]
     mass: 15.999400
   - symbol: O  # 5
     coordinates: [  0.0194031600000000,  0.4410739200000000,  0.1252067000000000 ]
     mass: 15.999400
   - symbol: O  # 6
     coordinates: [  0.3644994900000000,  0.8419922300000000,  0.6150663800000000 ]
     mass: 15.999400
   - symbol: O  # 7
     coordinates: [  0.6355005100000000,  0.3419922300000000,  0.8849336200000000 ]
     mass: 15.999400
   - symbol: O  # 8
     coordinates: [  0.6355005100000000,  0.1580077700000000,  0.3849336200000000 ]
     mass: 15.999400
   - symbol: O  # 9
     coordinates: [  0.3644994900000000,  0.6580077700000000,  0.1150663800000000 ]
     mass: 15.999400
   - symbol: O  # 10
     coordinates: [  0.4951585900000000,  0.3221130200000000,  0.6084120000000000 ]
     mass: 15.999400
   - symbol: O  # 11
     coordinates: [  0.5048414100000000,  0.8221130200000000,  0.8915880000000000 ]
     mass: 15.999400
   - symbol: O  # 12
     coordinates: [  0.5048414100000000,  0.6778869800000000,  0.3915880000000000 ]
     mass: 15.999400
   - symbol: O  # 13
     coordinates: [  0.8879245600000000,  0.9267791700000000,  0.0987641700000000 ]
     mass: 15.999400
   - symbol: O  # 14
     coordinates: [  0.8879245600000000,  0.5732208300000000,  0.5987641700000000 ]
     mass: 15.999400
   - symbol: O  # 15
     coordinates: [  0.1120754400000000,  0.0732208300000000,  0.9012358300000000 ]
     mass: 15.999400
   - symbol: O  # 16
     coordinates: [  0.4951585900000000,  0.1778869800000000,  0.1084120000000000 ]
     mass: 15.999400
   - symbol: K  # 17
     coordinates: [  0.8259290800000000,  0.5754771600000000,  0.3935673100000000 ]
     mass: 39.098300
   - symbol: K  # 18
     coordinates: [  0.1740709200000000,  0.0754771600000000,  0.1064326900000000 ]
     mass: 39.098300
   - symbol: K  # 19
     coordinates: [  0.1740709200000000,  0.4245228400000000,  0.6064326900000000 ]
     mass: 39.098300
   - symbol: K  # 20
     coordinates: [  0.8259290800000000,  0.9245228400000000,  0.8935673100000000 ]
     mass: 39.098300
   - symbol: K  # 21
     coordinates: [  0.7656451100000000,  0.2708072000000000,  0.0850489900000000 ]
     mass: 39.098300
   - symbol: K  # 22
     coordinates: [  0.2343548900000000,  0.7708072000000000,  0.4149510100000000 ]
     mass: 39.098300
   - symbol: K  # 23
     coordinates: [  0.2343548900000000,  0.7291928000000000,  0.9149510100000000 ]
     mass: 39.098300
   - symbol: K  # 24
     coordinates: [  0.7656451100000000,  0.2291928000000000,  0.5850489900000000 ]
     mass: 39.098300
   - symbol: K  # 25
     coordinates: [  0.3975960900000000,  0.1666260300000000,  0.9063984899999999 ]
     mass: 39.098300
   - symbol: K  # 26
     coordinates: [  0.6024039100000000,  0.8333739700000000,  0.0936015100000000 ]
     mass: 39.098300
   - symbol: K  # 27
     coordinates: [  0.6024039100000000,  0.6666260300000000,  0.5936015100000001 ]
     mass: 39.098300
   - symbol: K  # 28
     coordinates: [  0.3975960900000000,  0.3333739700000000,  0.4063984900000000 ]
     mass: 39.098300
   - symbol: Cu # 29
     coordinates: [  0.1946210400000000,  0.9529076200000000,  0.6256595000000000 ]
     mass: 63.546000
   - symbol: Cu # 30
     coordinates: [  0.8053789600000000,  0.4529076200000000,  0.8743405000000000 ]
     mass: 63.546000
   - symbol: Cu # 31
     coordinates: [  0.8053789600000000,  0.0470923800000000,  0.3743405000000000 ]
     mass: 63.546000
   - symbol: Cu # 32
     coordinates: [  0.1946210400000000,  0.5470923800000000,  0.1256595000000000 ]
     mass: 63.546000
   - symbol: Cu # 33
     coordinates: [  0.9498471700000000,  0.6847934800000000,  0.1130308200000000 ]
     mass: 63.546000
   - symbol: Cu # 34
     coordinates: [  0.0501528300000000,  0.1847934800000000,  0.3869691800000000 ]
     mass: 63.546000
   - symbol: Cu # 35
     coordinates: [  0.0501528300000000,  0.3152065200000000,  0.8869691800000000 ]
     mass: 63.546000
   - symbol: Cu # 36
     coordinates: [  0.4356357100000000,  0.6676394100000000,  0.2546970600000000 ]
     mass: 63.546000
   - symbol: Cu # 37
     coordinates: [  0.5643642900000000,  0.1676394100000000,  0.2453029400000000 ]
     mass: 63.546000
   - symbol: Cu # 38
     coordinates: [  0.5643642900000000,  0.3323605900000000,  0.7453029400000000 ]
     mass: 63.546000
   - symbol: Cu # 39
     coordinates: [  0.4356357100000000,  0.8323605900000000,  0.7546970600000000 ]
     mass: 63.546000
   - symbol: Cu # 40
     coordinates: [  0.0656912800000000,  0.4389695700000000,  0.2636985200000000 ]
     mass: 63.546000
   - symbol: Cu # 41
     coordinates: [  0.9343087200000000,  0.9389695700000000,  0.2363014800000000 ]
     mass: 63.546000
   - symbol: Cu # 42
     coordinates: [  0.9343087200000000,  0.5610304300000000,  0.7363014800000000 ]
     mass: 63.546000
   - symbol: Cu # 43
     coordinates: [  0.0656912800000000,  0.0610304300000000,  0.7636985200000000 ]
     mass: 63.546000
   - symbol: Cu # 44
     coordinates: [  0.4342600700000000,  0.4157252900000000,  0.1154532100000000 ]
     mass: 63.546000
   - symbol: Cu # 45
     coordinates: [  0.5657399300000000,  0.9157252900000000,  0.3845467900000000 ]
     mass: 63.546000
   - symbol: Cu # 46
     coordinates: [  0.5657399300000000,  0.5842747100000000,  0.8845467900000000 ]
     mass: 63.546000
   - symbol: Cu # 47
     coordinates: [  0.4342600700000000,  0.0842747100000000,  0.6154532100000000 ]
     mass: 63.546000
   - symbol: Cu # 48
     coordinates: [  0.9498471700000000,  0.8152065200000000,  0.6130308200000000 ]
     mass: 63.546000
   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
   - 41
   - 42
   - 43
   - 44
   - 45
   - 46
   - 47
   - 48

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