Materials id 8346 / Lu2Ge2O7 / P4_12_12 (92)
==============================================================================

- Date page updated: 2018-4-17
- Space group type: P4_12_12 (92) / P 4abw 2nw
- Number of formula units (Z): 4
- Phonon raw data: :download:`mp-8346-20180417.tar.lzma <./mp-8346-20180417.tar.lzma>`
- Link to Materials Project: `https://www.materialsproject.org/materials/mp-8346/ <https://www.materialsproject.org/materials/mp-8346/>`_

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

.. image:: mp-8346-band.png

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

.. image:: mp-8346-dos.png

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

Imaginary modes are excluded if they exist.

.. image:: mp-8346-tprops.png

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

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

::

   lattice:
   - [     6.6797151799999996,     0.0000000000000000,     0.0000000000000000 ] # a
   - [     0.0000000000000000,     6.6797151799999996,     0.0000000000000000 ] # b
   - [     0.0000000000000000,     0.0000000000000000,    12.1346537800000007 ] # c
   points:
   - symbol: O  # 1
     coordinates: [  0.3032809500000000,  0.6967190500000000,  0.7500000000000000 ]
     mass: 15.999400
   - symbol: O  # 2
     coordinates: [  0.8032809500000000,  0.8032809500000000,  0.0000000000000000 ]
     mass: 15.999400
   - symbol: O  # 3
     coordinates: [  0.1967190500000000,  0.1967190500000000,  0.5000000000000000 ]
     mass: 15.999400
   - symbol: O  # 4
     coordinates: [  0.6967190500000000,  0.3032809500000000,  0.2500000000000000 ]
     mass: 15.999400
   - symbol: O  # 5
     coordinates: [  0.4609473400000000,  0.5803827100000000,  0.3808534000000000 ]
     mass: 15.999400
   - symbol: O  # 6
     coordinates: [  0.5390526600000000,  0.4196172900000000,  0.8808534000000000 ]
     mass: 15.999400
   - symbol: O  # 7
     coordinates: [  0.5803827100000000,  0.4609473400000000,  0.6191466000000000 ]
     mass: 15.999400
   - symbol: O  # 8
     coordinates: [  0.0803827100000000,  0.0390526600000000,  0.1308534000000000 ]
     mass: 15.999400
   - symbol: O  # 9
     coordinates: [  0.9196172900000000,  0.9609473400000000,  0.6308534000000000 ]
     mass: 15.999400
   - symbol: O  # 10
     coordinates: [  0.0390526600000000,  0.0803827100000000,  0.8691466000000000 ]
     mass: 15.999400
   - symbol: O  # 11
     coordinates: [  0.9609473400000000,  0.9196172900000000,  0.3691466000000000 ]
     mass: 15.999400
   - symbol: O  # 12
     coordinates: [  0.4196172900000000,  0.5390526600000000,  0.1191466000000000 ]
     mass: 15.999400
   - symbol: O  # 13
     coordinates: [  0.3375106100000000,  0.9316082100000000,  0.3205098800000000 ]
     mass: 15.999400
   - symbol: O  # 14
     coordinates: [  0.6624893900000000,  0.0683917900000000,  0.8205098800000000 ]
     mass: 15.999400
   - symbol: O  # 15
     coordinates: [  0.9316082100000000,  0.3375106100000000,  0.6794901200000000 ]
     mass: 15.999400
   - symbol: O  # 16
     coordinates: [  0.4316082100000000,  0.1624893900000000,  0.0705098800000000 ]
     mass: 15.999400
   - symbol: O  # 17
     coordinates: [  0.8260046599999999,  0.3559801500000000,  0.0429016400000000 ]
     mass: 15.999400
   - symbol: O  # 18
     coordinates: [  0.1440198500000000,  0.3260046600000000,  0.2929016400000000 ]
     mass: 15.999400
   - symbol: O  # 19
     coordinates: [  0.8559801500000001,  0.6739953400000001,  0.7929016400000000 ]
     mass: 15.999400
   - symbol: O  # 20
     coordinates: [  0.3260046600000000,  0.1440198500000000,  0.7070983600000000 ]
     mass: 15.999400
   - symbol: O  # 21
     coordinates: [  0.6739953400000001,  0.8559801500000001,  0.2070983600000000 ]
     mass: 15.999400
   - symbol: O  # 22
     coordinates: [  0.1739953400000000,  0.6440198499999999,  0.5429016400000000 ]
     mass: 15.999400
   - symbol: O  # 23
     coordinates: [  0.3559801500000000,  0.8260046599999999,  0.9570983600000000 ]
     mass: 15.999400
   - symbol: O  # 24
     coordinates: [  0.6440198499999999,  0.1739953400000000,  0.4570983600000000 ]
     mass: 15.999400
   - symbol: O  # 25
     coordinates: [  0.0683917900000000,  0.6624893900000000,  0.1794901200000000 ]
     mass: 15.999400
   - symbol: O  # 26
     coordinates: [  0.8375106100000000,  0.5683917900000000,  0.4294901200000000 ]
     mass: 15.999400
   - symbol: O  # 27
     coordinates: [  0.1624893900000000,  0.4316082100000000,  0.9294901200000000 ]
     mass: 15.999400
   - symbol: O  # 28
     coordinates: [  0.5683917900000000,  0.8375106100000000,  0.5705098800000000 ]
     mass: 15.999400
   - symbol: Ge # 29
     coordinates: [  0.6480421600000000,  0.3983206800000000,  0.3835790700000000 ]
     mass: 72.640000
   - symbol: Ge # 30
     coordinates: [  0.3519578400000000,  0.6016793200000000,  0.8835790700000000 ]
     mass: 72.640000
   - symbol: Ge # 31
     coordinates: [  0.3983206800000000,  0.6480421600000000,  0.6164209300000000 ]
     mass: 72.640000
   - symbol: Ge # 32
     coordinates: [  0.8983206800000000,  0.8519578400000000,  0.1335790700000000 ]
     mass: 72.640000
   - symbol: Ge # 33
     coordinates: [  0.1016793200000000,  0.1480421600000000,  0.6335790700000000 ]
     mass: 72.640000
   - symbol: Ge # 34
     coordinates: [  0.8519578400000000,  0.8983206800000000,  0.8664209300000000 ]
     mass: 72.640000
   - symbol: Ge # 35
     coordinates: [  0.1480421600000000,  0.1016793200000000,  0.3664209300000000 ]
     mass: 72.640000
   - symbol: Ge # 36
     coordinates: [  0.6016793200000000,  0.3519578400000000,  0.1164209300000000 ]
     mass: 72.640000
   - symbol: Lu # 37
     coordinates: [  0.6427652500000000,  0.8709104500000000,  0.3861399200000000 ]
     mass: 174.967000
   - symbol: Lu # 38
     coordinates: [  0.3572347500000000,  0.1290895500000000,  0.8861399200000000 ]
     mass: 174.967000
   - symbol: Lu # 39
     coordinates: [  0.8709104500000000,  0.6427652500000000,  0.6138600800000000 ]
     mass: 174.967000
   - symbol: Lu # 40
     coordinates: [  0.3709104500000000,  0.8572347500000000,  0.1361399200000000 ]
     mass: 174.967000
   - symbol: Lu # 41
     coordinates: [  0.6290895500000000,  0.1427652500000000,  0.6361399200000000 ]
     mass: 174.967000
   - symbol: Lu # 42
     coordinates: [  0.8572347500000000,  0.3709104500000000,  0.8638600800000000 ]
     mass: 174.967000
   - symbol: Lu # 43
     coordinates: [  0.1427652500000000,  0.6290895500000000,  0.3638600800000000 ]
     mass: 174.967000
   - symbol: Lu # 44
     coordinates: [  0.1290895500000000,  0.3572347500000000,  0.1138600800000000 ]
     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
   - 43
   - 44

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