Materials id 14708 / Tm2Ge2O7 / 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-14708-20180417.tar.lzma <./mp-14708-20180417.tar.lzma>`
- Link to Materials Project: `https://www.materialsproject.org/materials/mp-14708/ <https://www.materialsproject.org/materials/mp-14708/>`_

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

.. image:: mp-14708-band.png

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

.. image:: mp-14708-dos.png

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

Imaginary modes are excluded if they exist.

.. image:: mp-14708-tprops.png

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

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

::

   lattice:
   - [     6.7219387499999996,     0.0000000000000000,     0.0000000000000000 ] # a
   - [     0.0000000000000000,     6.7219387499999996,     0.0000000000000000 ] # b
   - [     0.0000000000000000,     0.0000000000000000,    12.2252760800000004 ] # c
   points:
   - symbol: O  # 1
     coordinates: [  0.8560729300000000,  0.3230193100000000,  0.9565192400000000 ]
     mass: 15.999400
   - symbol: O  # 2
     coordinates: [  0.1439270700000000,  0.6769806900000001,  0.4565192400000000 ]
     mass: 15.999400
   - symbol: O  # 3
     coordinates: [  0.3230193100000000,  0.8560729300000000,  0.0434807600000000 ]
     mass: 15.999400
   - symbol: O  # 4
     coordinates: [  0.8230193099999999,  0.6439270700000000,  0.7065192400000000 ]
     mass: 15.999400
   - symbol: O  # 5
     coordinates: [  0.1769806900000000,  0.3560729300000000,  0.2065192400000000 ]
     mass: 15.999400
   - symbol: O  # 6
     coordinates: [  0.6439270700000000,  0.8230193099999999,  0.2934807600000000 ]
     mass: 15.999400
   - symbol: O  # 7
     coordinates: [  0.3560729300000000,  0.1769806900000000,  0.7934807600000000 ]
     mass: 15.999400
   - symbol: O  # 8
     coordinates: [  0.6769806900000001,  0.1439270700000000,  0.5434807600000000 ]
     mass: 15.999400
   - symbol: O  # 9
     coordinates: [  0.6624713700000000,  0.9325670200000000,  0.9292081500000000 ]
     mass: 15.999400
   - symbol: O  # 10
     coordinates: [  0.3375286300000000,  0.0674329800000000,  0.4292081500000000 ]
     mass: 15.999400
   - symbol: O  # 11
     coordinates: [  0.9325670200000000,  0.6624713700000000,  0.0707918500000000 ]
     mass: 15.999400
   - symbol: O  # 12
     coordinates: [  0.4325670200000000,  0.8375286300000000,  0.6792081500000000 ]
     mass: 15.999400
   - symbol: O  # 13
     coordinates: [  0.5674329800000000,  0.1624713700000000,  0.1792081500000000 ]
     mass: 15.999400
   - symbol: O  # 14
     coordinates: [  0.8375286300000000,  0.4325670200000000,  0.3207918500000000 ]
     mass: 15.999400
   - symbol: O  # 15
     coordinates: [  0.1624713700000000,  0.5674329800000000,  0.8207918500000000 ]
     mass: 15.999400
   - symbol: O  # 16
     coordinates: [  0.0674329800000000,  0.3375286300000000,  0.5707918500000000 ]
     mass: 15.999400
   - symbol: O  # 17
     coordinates: [  0.8030856800000000,  0.1969143200000000,  0.7500000000000000 ]
     mass: 15.999400
   - symbol: O  # 18
     coordinates: [  0.3030856800000000,  0.3030856800000000,  0.0000000000000000 ]
     mass: 15.999400
   - symbol: O  # 19
     coordinates: [  0.6969143200000000,  0.6969143200000000,  0.5000000000000000 ]
     mass: 15.999400
   - symbol: O  # 20
     coordinates: [  0.1969143200000000,  0.8030856800000000,  0.2500000000000000 ]
     mass: 15.999400
   - symbol: O  # 21
     coordinates: [  0.0794956900000000,  0.9632322300000000,  0.6203224100000000 ]
     mass: 15.999400
   - symbol: O  # 22
     coordinates: [  0.5367677700000000,  0.5794956900000000,  0.8703224100000000 ]
     mass: 15.999400
   - symbol: O  # 23
     coordinates: [  0.4632322300000000,  0.4205043100000000,  0.3703224100000000 ]
     mass: 15.999400
   - symbol: O  # 24
     coordinates: [  0.5794956900000000,  0.5367677700000000,  0.1296775900000000 ]
     mass: 15.999400
   - symbol: O  # 25
     coordinates: [  0.4205043100000000,  0.4632322300000000,  0.6296775900000000 ]
     mass: 15.999400
   - symbol: O  # 26
     coordinates: [  0.9205043100000000,  0.0367677700000000,  0.1203224100000000 ]
     mass: 15.999400
   - symbol: O  # 27
     coordinates: [  0.9632322300000000,  0.0794956900000000,  0.3796775900000000 ]
     mass: 15.999400
   - symbol: O  # 28
     coordinates: [  0.0367677700000000,  0.9205043100000000,  0.8796775900000000 ]
     mass: 15.999400
   - symbol: Ge # 29
     coordinates: [  0.8505858400000000,  0.1010934200000000,  0.8826356500000000 ]
     mass: 72.640000
   - symbol: Ge # 30
     coordinates: [  0.1494141600000000,  0.8989065800000000,  0.3826356500000000 ]
     mass: 72.640000
   - symbol: Ge # 31
     coordinates: [  0.1010934200000000,  0.8505858400000000,  0.1173643500000000 ]
     mass: 72.640000
   - symbol: Ge # 32
     coordinates: [  0.6010934200000000,  0.6494141600000000,  0.6326356500000000 ]
     mass: 72.640000
   - symbol: Ge # 33
     coordinates: [  0.3989065800000000,  0.3505858400000000,  0.1326356500000000 ]
     mass: 72.640000
   - symbol: Ge # 34
     coordinates: [  0.6494141600000000,  0.6010934200000000,  0.3673643500000000 ]
     mass: 72.640000
   - symbol: Ge # 35
     coordinates: [  0.3505858400000000,  0.3989065800000000,  0.8673643500000000 ]
     mass: 72.640000
   - symbol: Ge # 36
     coordinates: [  0.8989065800000000,  0.1494141600000000,  0.6173643500000000 ]
     mass: 72.640000
   - symbol: Tm # 37
     coordinates: [  0.6441338000000000,  0.1282154200000000,  0.3640264000000000 ]
     mass: 168.934210
   - symbol: Tm # 38
     coordinates: [  0.3558662000000000,  0.8717845800000000,  0.8640264000000000 ]
     mass: 168.934210
   - symbol: Tm # 39
     coordinates: [  0.1282154200000000,  0.6441338000000000,  0.6359736000000000 ]
     mass: 168.934210
   - symbol: Tm # 40
     coordinates: [  0.6282154200000000,  0.8558662000000000,  0.1140264000000000 ]
     mass: 168.934210
   - symbol: Tm # 41
     coordinates: [  0.3717845800000000,  0.1441338000000000,  0.6140264000000000 ]
     mass: 168.934210
   - symbol: Tm # 42
     coordinates: [  0.8558662000000000,  0.6282154200000000,  0.8859736000000000 ]
     mass: 168.934210
   - symbol: Tm # 43
     coordinates: [  0.1441338000000000,  0.3717845800000000,  0.3859736000000000 ]
     mass: 168.934210
   - symbol: Tm # 44
     coordinates: [  0.8717845800000000,  0.3558662000000000,  0.1359736000000000 ]
     mass: 168.934210
   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