Materials id 18150 / K3Lu(PO4)2 / P-3 (147)
==============================================================================

- Date page updated: 2018-4-17
- Space group type: P-3 (147) / -P 3
- Number of formula units (Z): 3
- Phonon raw data: :download:`mp-18150-20180417.tar.lzma <./mp-18150-20180417.tar.lzma>`
- Link to Materials Project: `https://www.materialsproject.org/materials/mp-18150/ <https://www.materialsproject.org/materials/mp-18150/>`_

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

.. image:: mp-18150-band.png

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

.. image:: mp-18150-dos.png

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

Imaginary modes are excluded if they exist.

.. image:: mp-18150-tprops.png

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

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

::

   lattice:
   - [     9.6104147399999995,    -0.0000000100000000,     0.0000000000000000 ] # a
   - [    -4.8052073599999998,     8.3228633100000007,     0.0000000000000000 ] # b
   - [     0.0000000000000000,     0.0000000000000000,     7.7050662299999999 ] # c
   points:
   - symbol: O  # 1
     coordinates: [  0.5208865200000000,  0.8585439100000000,  0.8854904500000000 ]
     mass: 15.999400
   - symbol: O  # 2
     coordinates: [  0.3376574100000000,  0.4791134800000000,  0.8854904500000000 ]
     mass: 15.999400
   - symbol: O  # 3
     coordinates: [  0.1414560900000000,  0.6623425900000000,  0.8854904500000000 ]
     mass: 15.999400
   - symbol: O  # 4
     coordinates: [  0.4791134800000000,  0.1414560900000000,  0.1145095500000000 ]
     mass: 15.999400
   - symbol: O  # 5
     coordinates: [  0.6623425900000000,  0.5208865200000000,  0.1145095500000000 ]
     mass: 15.999400
   - symbol: O  # 6
     coordinates: [  0.8585439100000000,  0.3376574100000000,  0.1145095500000000 ]
     mass: 15.999400
   - symbol: O  # 7
     coordinates: [  0.6650839000000000,  0.1510535900000000,  0.7925604200000000 ]
     mass: 15.999400
   - symbol: O  # 8
     coordinates: [  0.4859697000000000,  0.3349161000000000,  0.7925604200000000 ]
     mass: 15.999400
   - symbol: O  # 9
     coordinates: [  0.8489464100000000,  0.5140303000000001,  0.7925604200000000 ]
     mass: 15.999400
   - symbol: O  # 10
     coordinates: [  0.3349161000000000,  0.8489464100000000,  0.2074395800000000 ]
     mass: 15.999400
   - symbol: O  # 11
     coordinates: [  0.5140303000000001,  0.6650839000000000,  0.2074395800000000 ]
     mass: 15.999400
   - symbol: O  # 12
     coordinates: [  0.1510535900000000,  0.4859697000000000,  0.2074395800000000 ]
     mass: 15.999400
   - symbol: O  # 13
     coordinates: [  0.8222344500000000,  0.0073634000000000,  0.8348017900000000 ]
     mass: 15.999400
   - symbol: O  # 14
     coordinates: [  0.1851289500000000,  0.1777655500000000,  0.8348017900000000 ]
     mass: 15.999400
   - symbol: O  # 15
     coordinates: [  0.9926366000000000,  0.8148710500000000,  0.8348017900000000 ]
     mass: 15.999400
   - symbol: O  # 16
     coordinates: [  0.1777655500000000,  0.9926366000000000,  0.1651982100000000 ]
     mass: 15.999400
   - symbol: O  # 17
     coordinates: [  0.8148710500000000,  0.8222344500000000,  0.1651982100000000 ]
     mass: 15.999400
   - symbol: O  # 18
     coordinates: [  0.0073634000000000,  0.1851289500000000,  0.1651982100000000 ]
     mass: 15.999400
   - symbol: O  # 19
     coordinates: [  0.9296669100000000,  0.2989346800000000,  0.4175283700000000 ]
     mass: 15.999400
   - symbol: O  # 20
     coordinates: [  0.7010653200000000,  0.6307322300000000,  0.4175283700000000 ]
     mass: 15.999400
   - symbol: O  # 21
     coordinates: [  0.3692677700000000,  0.0703330900000000,  0.4175283700000000 ]
     mass: 15.999400
   - symbol: O  # 22
     coordinates: [  0.0703330900000000,  0.7010653200000000,  0.5824716300000000 ]
     mass: 15.999400
   - symbol: O  # 23
     coordinates: [  0.2989346800000000,  0.3692677700000000,  0.5824716300000000 ]
     mass: 15.999400
   - symbol: O  # 24
     coordinates: [  0.6307322300000000,  0.9296669100000000,  0.5824716300000000 ]
     mass: 15.999400
   - symbol: P  # 25
     coordinates: [  0.6593774000000000,  0.9870971100000000,  0.7699782500000000 ]
     mass: 30.973762
   - symbol: P  # 26
     coordinates: [  0.3277197000000000,  0.3406226000000000,  0.7699782500000000 ]
     mass: 30.973762
   - symbol: P  # 27
     coordinates: [  0.0129028900000000,  0.6722803000000001,  0.7699782500000000 ]
     mass: 30.973762
   - symbol: P  # 28
     coordinates: [  0.3406226000000000,  0.0129028900000000,  0.2300217500000000 ]
     mass: 30.973762
   - symbol: P  # 29
     coordinates: [  0.6722803000000001,  0.6593774000000000,  0.2300217500000000 ]
     mass: 30.973762
   - symbol: P  # 30
     coordinates: [  0.9870971100000000,  0.3277197000000000,  0.2300217500000000 ]
     mass: 30.973762
   - symbol: K  # 31
     coordinates: [  0.6671194700000000,  0.0016342800000000,  0.2487745800000000 ]
     mass: 39.098300
   - symbol: K  # 32
     coordinates: [  0.3345148000000000,  0.3328805300000000,  0.2487745800000000 ]
     mass: 39.098300
   - symbol: K  # 33
     coordinates: [  0.9983657200000000,  0.6654852000000000,  0.2487745800000000 ]
     mass: 39.098300
   - symbol: K  # 34
     coordinates: [  0.3328805300000000,  0.9983657200000000,  0.7512254200000000 ]
     mass: 39.098300
   - symbol: K  # 35
     coordinates: [  0.6654852000000000,  0.6671194700000000,  0.7512254200000000 ]
     mass: 39.098300
   - symbol: K  # 36
     coordinates: [  0.0016342800000000,  0.3345148000000000,  0.7512254200000000 ]
     mass: 39.098300
   - symbol: K  # 37
     coordinates: [  0.3333333300000000,  0.6666666700000000,  0.5064955600000000 ]
     mass: 39.098300
   - symbol: K  # 38
     coordinates: [  0.6666666700000000,  0.3333333300000000,  0.4935044400000000 ]
     mass: 39.098300
   - symbol: K  # 39
     coordinates: [  0.0000000000000000,  0.0000000000000000,  0.5000000000000000 ]
     mass: 39.098300
   - symbol: Lu # 40
     coordinates: [  0.3333333300000000,  0.6666666700000000,  0.0339652800000000 ]
     mass: 174.967000
   - symbol: Lu # 41
     coordinates: [  0.6666666700000000,  0.3333333300000000,  0.9660347200000000 ]
     mass: 174.967000
   - symbol: Lu # 42
     coordinates: [  0.0000000000000000,  0.0000000000000000,  0.0000000000000000 ]
     mass: 174.967000
   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

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