Materials id 18568 / Na2Ge2S5 / Cmcm (63)
==============================================================================

- Date page updated: 2018-4-17
- Space group type: Cmcm (63) / -C 2c 2
- Number of formula units (Z): 8
- Phonon raw data: :download:`mp-18568-20180417.tar.lzma <./mp-18568-20180417.tar.lzma>`
- Link to Materials Project: `https://www.materialsproject.org/materials/mp-18568/ <https://www.materialsproject.org/materials/mp-18568/>`_

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

.. image:: mp-18568-band.png

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

.. image:: mp-18568-dos.png

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

Imaginary modes are excluded if they exist.

.. image:: mp-18568-tprops.png

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

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

::

   lattice:
   - [    12.7371212400000005,     0.0000000000000000,     0.0000000000000000 ] # a
   - [     0.0000000000000000,    12.8198190299999997,     0.0000000000000000 ] # b
   - [     0.0000000000000000,     0.0000000000000000,    10.4834212900000008 ] # c
   points:
   - symbol: Na # 1
     coordinates: [  0.1684658000000000,  0.7502977400000000,  0.2500000000000000 ]
     mass: 22.989769
   - symbol: Na # 2
     coordinates: [  0.8315342000000000,  0.2497022600000000,  0.7500000000000000 ]
     mass: 22.989769
   - symbol: Na # 3
     coordinates: [  0.1684658000000000,  0.2497022600000000,  0.7500000000000000 ]
     mass: 22.989769
   - symbol: Na # 4
     coordinates: [  0.8315342000000000,  0.7502977400000000,  0.2500000000000000 ]
     mass: 22.989769
   - symbol: Na # 5
     coordinates: [  0.6469698800000000,  0.5000000000000000,  0.5000000000000000 ]
     mass: 22.989769
   - symbol: Na # 6
     coordinates: [  0.3530301200000000,  0.5000000000000000,  0.0000000000000000 ]
     mass: 22.989769
   - symbol: Na # 7
     coordinates: [  0.3530301200000000,  0.5000000000000000,  0.5000000000000000 ]
     mass: 22.989769
   - symbol: Na # 8
     coordinates: [  0.6469698800000000,  0.5000000000000000,  0.0000000000000000 ]
     mass: 22.989769
   - symbol: Na # 9
     coordinates: [  0.6684658000000000,  0.2502977400000000,  0.2500000000000000 ]
     mass: 22.989769
   - symbol: Na # 10
     coordinates: [  0.3315342000000000,  0.7497022600000000,  0.7500000000000000 ]
     mass: 22.989769
   - symbol: Na # 11
     coordinates: [  0.6684658000000000,  0.7497022600000000,  0.7500000000000000 ]
     mass: 22.989769
   - symbol: Na # 12
     coordinates: [  0.3315342000000000,  0.2502977400000000,  0.2500000000000000 ]
     mass: 22.989769
   - symbol: Na # 13
     coordinates: [  0.1469698800000000,  0.0000000000000000,  0.5000000000000000 ]
     mass: 22.989769
   - symbol: Na # 14
     coordinates: [  0.8530301200000000,  0.0000000000000000,  0.0000000000000000 ]
     mass: 22.989769
   - symbol: Na # 15
     coordinates: [  0.8530301200000000,  0.0000000000000000,  0.5000000000000000 ]
     mass: 22.989769
   - symbol: Na # 16
     coordinates: [  0.1469698800000000,  0.0000000000000000,  0.0000000000000000 ]
     mass: 22.989769
   - symbol: S  # 17
     coordinates: [  0.0000000000000000,  0.5610283800000000,  0.2500000000000000 ]
     mass: 32.065000
   - symbol: S  # 18
     coordinates: [  0.0000000000000000,  0.4389716200000000,  0.7500000000000000 ]
     mass: 32.065000
   - symbol: S  # 19
     coordinates: [  0.1464790200000000,  0.3544641800000000,  0.0759191500000000 ]
     mass: 32.065000
   - symbol: S  # 20
     coordinates: [  0.8535209800000000,  0.6455358200000000,  0.5759191500000000 ]
     mass: 32.065000
   - symbol: S  # 21
     coordinates: [  0.1464790200000000,  0.6455358200000000,  0.9240808500000000 ]
     mass: 32.065000
   - symbol: S  # 22
     coordinates: [  0.8535209800000000,  0.3544641800000000,  0.4240808500000000 ]
     mass: 32.065000
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     coordinates: [  0.8535209800000000,  0.3544641800000000,  0.0759191500000000 ]
     mass: 32.065000
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     coordinates: [  0.1464790200000000,  0.6455358200000000,  0.5759191500000000 ]
     mass: 32.065000
   - symbol: S  # 27
     coordinates: [  0.0000000000000000,  0.1536296400000000,  0.2500000000000000 ]
     mass: 32.065000
   - symbol: S  # 28
     coordinates: [  0.0000000000000000,  0.8463703600000000,  0.7500000000000000 ]
     mass: 32.065000
   - symbol: S  # 29
     coordinates: [  0.0000000000000000,  0.1575323800000000,  0.9140005200000000 ]
     mass: 32.065000
   - symbol: S  # 30
     coordinates: [  0.0000000000000000,  0.8424676200000000,  0.4140005200000000 ]
     mass: 32.065000
   - symbol: S  # 31
     coordinates: [  0.0000000000000000,  0.8424676200000000,  0.0859994800000000 ]
     mass: 32.065000
   - symbol: S  # 32
     coordinates: [  0.0000000000000000,  0.1575323800000000,  0.5859994800000000 ]
     mass: 32.065000
   - symbol: S  # 33
     coordinates: [  0.2785165800000000,  0.5505789500000000,  0.2500000000000000 ]
     mass: 32.065000
   - symbol: S  # 34
     coordinates: [  0.7214834200000000,  0.4494210500000000,  0.7500000000000000 ]
     mass: 32.065000
   - symbol: S  # 35
     coordinates: [  0.2785165800000000,  0.4494210500000000,  0.7500000000000000 ]
     mass: 32.065000
   - symbol: S  # 36
     coordinates: [  0.7214834200000000,  0.5505789500000000,  0.2500000000000000 ]
     mass: 32.065000
   - symbol: S  # 37
     coordinates: [  0.5000000000000000,  0.0610283800000000,  0.2500000000000000 ]
     mass: 32.065000
   - symbol: S  # 38
     coordinates: [  0.5000000000000000,  0.9389716200000000,  0.7500000000000000 ]
     mass: 32.065000
   - symbol: S  # 39
     coordinates: [  0.6464790200000000,  0.8544641800000000,  0.0759191500000000 ]
     mass: 32.065000
   - symbol: S  # 40
     coordinates: [  0.3535209800000000,  0.1455358200000000,  0.5759191500000000 ]
     mass: 32.065000
   - symbol: S  # 41
     coordinates: [  0.6464790200000000,  0.1455358200000000,  0.9240808500000000 ]
     mass: 32.065000
   - symbol: S  # 42
     coordinates: [  0.3535209800000000,  0.8544641800000000,  0.4240808500000000 ]
     mass: 32.065000
   - symbol: S  # 43
     coordinates: [  0.3535209800000000,  0.1455358200000000,  0.9240808500000000 ]
     mass: 32.065000
   - symbol: S  # 44
     coordinates: [  0.6464790200000000,  0.8544641800000000,  0.4240808500000000 ]
     mass: 32.065000
   - symbol: S  # 45
     coordinates: [  0.3535209800000000,  0.8544641800000000,  0.0759191500000000 ]
     mass: 32.065000
   - symbol: S  # 46
     coordinates: [  0.6464790200000000,  0.1455358200000000,  0.5759191500000000 ]
     mass: 32.065000
   - symbol: S  # 47
     coordinates: [  0.5000000000000000,  0.6536296400000000,  0.2500000000000000 ]
     mass: 32.065000
   - symbol: S  # 48
     coordinates: [  0.5000000000000000,  0.3463703600000000,  0.7500000000000000 ]
     mass: 32.065000
   - symbol: S  # 49
     coordinates: [  0.5000000000000000,  0.6575323800000000,  0.9140005200000000 ]
     mass: 32.065000
   - symbol: S  # 50
     coordinates: [  0.5000000000000000,  0.3424676200000000,  0.4140005200000000 ]
     mass: 32.065000
   - symbol: S  # 51
     coordinates: [  0.5000000000000000,  0.3424676200000000,  0.0859994800000000 ]
     mass: 32.065000
   - symbol: S  # 52
     coordinates: [  0.5000000000000000,  0.6575323800000000,  0.5859994800000000 ]
     mass: 32.065000
   - symbol: S  # 53
     coordinates: [  0.7785165800000000,  0.0505789500000000,  0.2500000000000000 ]
     mass: 32.065000
   - symbol: S  # 54
     coordinates: [  0.2214834200000000,  0.9494210500000000,  0.7500000000000000 ]
     mass: 32.065000
   - symbol: S  # 55
     coordinates: [  0.7785165800000000,  0.9494210500000000,  0.7500000000000000 ]
     mass: 32.065000
   - symbol: S  # 56
     coordinates: [  0.2214834200000000,  0.0505789500000000,  0.2500000000000000 ]
     mass: 32.065000
   - symbol: Ge # 57
     coordinates: [  0.8606977200000000,  0.4568664400000000,  0.2500000000000000 ]
     mass: 72.640000
   - symbol: Ge # 58
     coordinates: [  0.1393022800000000,  0.5431335600000000,  0.7500000000000000 ]
     mass: 72.640000
   - symbol: Ge # 59
     coordinates: [  0.8606977200000000,  0.5431335600000000,  0.7500000000000000 ]
     mass: 72.640000
   - symbol: Ge # 60
     coordinates: [  0.1393022800000000,  0.4568664400000000,  0.2500000000000000 ]
     mass: 72.640000
   - symbol: Ge # 61
     coordinates: [  0.0000000000000000,  0.2568541700000000,  0.4206441100000000 ]
     mass: 72.640000
   - symbol: Ge # 62
     coordinates: [  0.0000000000000000,  0.7431458300000000,  0.9206441100000000 ]
     mass: 72.640000
   - symbol: Ge # 63
     coordinates: [  0.0000000000000000,  0.7431458300000000,  0.5793558900000000 ]
     mass: 72.640000
   - symbol: Ge # 64
     coordinates: [  0.0000000000000000,  0.2568541700000000,  0.0793558900000000 ]
     mass: 72.640000
   - symbol: Ge # 65
     coordinates: [  0.3606977200000000,  0.9568664400000000,  0.2500000000000000 ]
     mass: 72.640000
   - symbol: Ge # 66
     coordinates: [  0.6393022800000000,  0.0431335600000000,  0.7500000000000000 ]
     mass: 72.640000
   - symbol: Ge # 67
     coordinates: [  0.3606977200000000,  0.0431335600000000,  0.7500000000000000 ]
     mass: 72.640000
   - symbol: Ge # 68
     coordinates: [  0.6393022800000000,  0.9568664400000000,  0.2500000000000000 ]
     mass: 72.640000
   - symbol: Ge # 69
     coordinates: [  0.5000000000000000,  0.7568541700000000,  0.4206441100000000 ]
     mass: 72.640000
   - symbol: Ge # 70
     coordinates: [  0.5000000000000000,  0.2431458300000000,  0.9206441100000000 ]
     mass: 72.640000
   - symbol: Ge # 71
     coordinates: [  0.5000000000000000,  0.2431458300000000,  0.5793558900000000 ]
     mass: 72.640000
   - symbol: Ge # 72
     coordinates: [  0.5000000000000000,  0.7568541700000000,  0.0793558900000000 ]
     mass: 72.640000
   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
   - 49
   - 50
   - 51
   - 52
   - 53
   - 54
   - 55
   - 56
   - 57
   - 58
   - 59
   - 60
   - 61
   - 62
   - 63
   - 64
   - 65
   - 66
   - 67
   - 68
   - 69
   - 70
   - 71
   - 72

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