Materials id 9770 / Ag8GeS6 / Pna2_1 (33)
==============================================================================

- Date page updated: 2018-4-17
- Space group type: Pna2_1 (33) / P 2c -2n
- Number of formula units (Z): 4
- Phonon raw data: :download:`mp-9770-20180417.tar.lzma <./mp-9770-20180417.tar.lzma>`
- Link to Materials Project: `https://www.materialsproject.org/materials/mp-9770/ <https://www.materialsproject.org/materials/mp-9770/>`_

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

.. image:: mp-9770-band.png

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

.. image:: mp-9770-dos.png

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

Imaginary modes are excluded if they exist.

.. image:: mp-9770-tprops.png

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

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

::

   lattice:
   - [    14.9231513499999995,     0.0000000000000000,     0.0000000000000000 ] # a
   - [     0.0000000000000000,     7.2636420499999996,     0.0000000000000000 ] # b
   - [     0.0000000000000000,     0.0000000000000000,    10.4290263799999998 ] # c
   points:
   - symbol: S  # 1
     coordinates: [  0.3841697600000000,  0.7804435199999999,  0.1093069400000000 ]
     mass: 32.065000
   - symbol: S  # 2
     coordinates: [  0.6158302400000000,  0.2195564800000000,  0.6093069400000000 ]
     mass: 32.065000
   - symbol: S  # 3
     coordinates: [  0.8841697600000000,  0.7195564800000001,  0.1093069400000000 ]
     mass: 32.065000
   - symbol: S  # 4
     coordinates: [  0.1158302400000000,  0.2804435200000000,  0.6093069400000000 ]
     mass: 32.065000
   - symbol: S  # 5
     coordinates: [  0.1155531000000000,  0.8484588600000000,  0.3673591900000000 ]
     mass: 32.065000
   - symbol: S  # 6
     coordinates: [  0.8844469000000000,  0.1515411400000000,  0.8673591899999999 ]
     mass: 32.065000
   - symbol: S  # 7
     coordinates: [  0.6155531000000000,  0.6515411400000000,  0.3673591900000000 ]
     mass: 32.065000
   - symbol: S  # 8
     coordinates: [  0.3844469000000000,  0.3484588600000000,  0.8673591899999999 ]
     mass: 32.065000
   - symbol: S  # 9
     coordinates: [  0.2404801800000000,  0.7304919800000000,  0.7227925100000000 ]
     mass: 32.065000
   - symbol: S  # 10
     coordinates: [  0.7595198200000000,  0.2695080200000000,  0.2227925100000000 ]
     mass: 32.065000
   - symbol: S  # 11
     coordinates: [  0.7404801800000000,  0.7695080200000000,  0.7227925100000000 ]
     mass: 32.065000
   - symbol: S  # 12
     coordinates: [  0.2595198200000000,  0.2304919800000000,  0.2227925100000000 ]
     mass: 32.065000
   - symbol: S  # 13
     coordinates: [  0.1284798000000000,  0.9769825500000000,  0.9776879700000000 ]
     mass: 32.065000
   - symbol: S  # 14
     coordinates: [  0.8715202000000000,  0.0230174500000000,  0.4776879700000000 ]
     mass: 32.065000
   - symbol: S  # 15
     coordinates: [  0.6284798000000000,  0.5230174500000000,  0.9776879700000000 ]
     mass: 32.065000
   - symbol: S  # 16
     coordinates: [  0.3715202000000000,  0.4769825500000000,  0.4776879700000000 ]
     mass: 32.065000
   - symbol: S  # 17
     coordinates: [  0.5013135000000000,  0.7784975500000000,  0.7292922300000000 ]
     mass: 32.065000
   - symbol: S  # 18
     coordinates: [  0.4986865000000000,  0.2215024500000000,  0.2292922300000000 ]
     mass: 32.065000
   - symbol: S  # 19
     coordinates: [  0.0013135000000000,  0.7215024500000000,  0.7292922300000000 ]
     mass: 32.065000
   - symbol: S  # 20
     coordinates: [  0.9986865000000000,  0.2784975500000000,  0.2292922300000000 ]
     mass: 32.065000
   - symbol: S  # 21
     coordinates: [  0.3781402300000000,  0.9881814300000000,  0.4824064600000000 ]
     mass: 32.065000
   - symbol: S  # 22
     coordinates: [  0.6218597700000000,  0.0118185700000000,  0.9824064600000000 ]
     mass: 32.065000
   - symbol: S  # 23
     coordinates: [  0.8781402300000000,  0.5118185700000000,  0.4824064600000000 ]
     mass: 32.065000
   - symbol: S  # 24
     coordinates: [  0.1218597700000000,  0.4881814300000000,  0.9824064600000000 ]
     mass: 32.065000
   - symbol: Ge # 25
     coordinates: [  0.1227457500000000,  0.7291091400000000,  0.8517123200000000 ]
     mass: 72.640000
   - symbol: Ge # 26
     coordinates: [  0.8772542500000000,  0.2708908600000000,  0.3517123200000000 ]
     mass: 72.640000
   - symbol: Ge # 27
     coordinates: [  0.6227457500000000,  0.7708908600000000,  0.8517123200000000 ]
     mass: 72.640000
   - symbol: Ge # 28
     coordinates: [  0.3772542500000000,  0.2291091400000000,  0.3517123200000000 ]
     mass: 72.640000
   - symbol: Ag # 29
     coordinates: [  0.7797629800000000,  0.9885202000000000,  0.0817422900000000 ]
     mass: 107.868200
   - symbol: Ag # 30
     coordinates: [  0.7425725000000000,  0.8517490900000000,  0.4034776700000000 ]
     mass: 107.868200
   - symbol: Ag # 31
     coordinates: [  0.2574275000000000,  0.1482509100000000,  0.9034776700000000 ]
     mass: 107.868200
   - symbol: Ag # 32
     coordinates: [  0.2425725000000000,  0.6482509100000000,  0.4034776700000000 ]
     mass: 107.868200
   - symbol: Ag # 33
     coordinates: [  0.4870825800000000,  0.5161142700000000,  0.1141030900000000 ]
     mass: 107.868200
   - symbol: Ag # 34
     coordinates: [  0.5129174200000000,  0.4838857300000000,  0.6141030900000000 ]
     mass: 107.868200
   - symbol: Ag # 35
     coordinates: [  0.9870825800000000,  0.9838857300000000,  0.1141030900000000 ]
     mass: 107.868200
   - symbol: Ag # 36
     coordinates: [  0.0129174200000000,  0.0161142700000000,  0.6141030900000000 ]
     mass: 107.868200
   - symbol: Ag # 37
     coordinates: [  0.2312985300000000,  0.8808370200000000,  0.1804213500000000 ]
     mass: 107.868200
   - symbol: Ag # 38
     coordinates: [  0.7687014700000000,  0.1191629800000000,  0.6804213500000000 ]
     mass: 107.868200
   - symbol: Ag # 39
     coordinates: [  0.7312985300000000,  0.6191629800000000,  0.1804213500000000 ]
     mass: 107.868200
   - symbol: Ag # 40
     coordinates: [  0.2687014700000000,  0.3808370200000000,  0.6804213500000000 ]
     mass: 107.868200
   - symbol: Ag # 41
     coordinates: [  0.0942156400000000,  0.6051373799999999,  0.2041739600000000 ]
     mass: 107.868200
   - symbol: Ag # 42
     coordinates: [  0.9057843600000000,  0.3948626200000000,  0.7041739600000000 ]
     mass: 107.868200
   - symbol: Ag # 43
     coordinates: [  0.5942156400000000,  0.8948626200000001,  0.2041739600000000 ]
     mass: 107.868200
   - symbol: Ag # 44
     coordinates: [  0.4057843600000000,  0.1051373800000000,  0.7041739600000000 ]
     mass: 107.868200
   - symbol: Ag # 45
     coordinates: [  0.2202370200000000,  0.0114798000000000,  0.5817422900000000 ]
     mass: 107.868200
   - symbol: Ag # 46
     coordinates: [  0.7574275000000000,  0.3517490900000000,  0.9034776700000000 ]
     mass: 107.868200
   - symbol: Ag # 47
     coordinates: [  0.7202370200000000,  0.4885202000000000,  0.5817422900000000 ]
     mass: 107.868200
   - symbol: Ag # 48
     coordinates: [  0.2797629800000000,  0.5114798000000000,  0.0817422900000000 ]
     mass: 107.868200
   - symbol: Ag # 49
     coordinates: [  0.0686771600000000,  0.5871303200000000,  0.5129517000000000 ]
     mass: 107.868200
   - symbol: Ag # 50
     coordinates: [  0.9313228400000000,  0.4128696800000000,  0.0129517000000000 ]
     mass: 107.868200
   - symbol: Ag # 51
     coordinates: [  0.5686771600000000,  0.9128696800000000,  0.5129517000000000 ]
     mass: 107.868200
   - symbol: Ag # 52
     coordinates: [  0.4313228400000000,  0.0871303200000000,  0.0129517000000000 ]
     mass: 107.868200
   - symbol: Ag # 53
     coordinates: [  0.4430278800000000,  0.7328669200000000,  0.3381100300000000 ]
     mass: 107.868200
   - symbol: Ag # 54
     coordinates: [  0.5569721200000000,  0.2671330800000000,  0.8381100300000000 ]
     mass: 107.868200
   - symbol: Ag # 55
     coordinates: [  0.9430278800000000,  0.7671330800000000,  0.3381100300000000 ]
     mass: 107.868200
   - symbol: Ag # 56
     coordinates: [  0.0569721200000000,  0.2328669200000000,  0.8381100300000000 ]
     mass: 107.868200
   - symbol: Ag # 57
     coordinates: [  0.3639185800000000,  0.7745445900000000,  0.8743623400000000 ]
     mass: 107.868200
   - symbol: Ag # 58
     coordinates: [  0.6360814200000000,  0.2254554100000000,  0.3743623400000000 ]
     mass: 107.868200
   - symbol: Ag # 59
     coordinates: [  0.8639185800000000,  0.7254554100000000,  0.8743623400000000 ]
     mass: 107.868200
   - symbol: Ag # 60
     coordinates: [  0.1360814200000000,  0.2745445900000000,  0.3743623400000000 ]
     mass: 107.868200
   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

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