Materials id 12307 / Tl2Ge2S5 / C2/c (15)
==============================================================================

- Date page updated: 2018-4-17
- Space group type: C2/c (15) / -C 2yc
- Number of formula units (Z): 8
- Phonon raw data: :download:`mp-12307-20180417.tar.lzma <./mp-12307-20180417.tar.lzma>`
- Link to Materials Project: `https://www.materialsproject.org/materials/mp-12307/ <https://www.materialsproject.org/materials/mp-12307/>`_

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

.. image:: mp-12307-band.png

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

.. image:: mp-12307-dos.png

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

Imaginary modes are excluded if they exist.

.. image:: mp-12307-tprops.png

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

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

::

   lattice:
   - [    14.8908643099999995,     0.0000000000000000,    -0.4226481800000000 ] # a
   - [     0.0000000000000000,    14.9172934599999998,     0.0000000000000000 ] # b
   - [    -2.2794161399999999,     0.0000000000000000,     8.3861375999999996 ] # c
   points:
   - symbol: S  # 1
     coordinates: [  0.5000000000000000,  0.0365038600000000,  0.7500000000000000 ]
     mass: 32.065000
   - symbol: S  # 2
     coordinates: [  0.5000000000000000,  0.9634961399999999,  0.2500000000000000 ]
     mass: 32.065000
   - symbol: S  # 3
     coordinates: [  0.5000000000000000,  0.3902735500000000,  0.7500000000000000 ]
     mass: 32.065000
   - symbol: S  # 4
     coordinates: [  0.5000000000000000,  0.6097264500000000,  0.2500000000000000 ]
     mass: 32.065000
   - symbol: S  # 5
     coordinates: [  0.8769982900000000,  0.8788877300000000,  0.0438490500000000 ]
     mass: 32.065000
   - symbol: S  # 6
     coordinates: [  0.1230017100000000,  0.8788877300000000,  0.4561509500000000 ]
     mass: 32.065000
   - symbol: S  # 7
     coordinates: [  0.1230017100000000,  0.1211122700000000,  0.9561509500000001 ]
     mass: 32.065000
   - symbol: S  # 8
     coordinates: [  0.8769982900000000,  0.1211122700000000,  0.5438490499999999 ]
     mass: 32.065000
   - symbol: S  # 9
     coordinates: [  0.2854206400000000,  0.0465198500000000,  0.4280971400000000 ]
     mass: 32.065000
   - symbol: S  # 10
     coordinates: [  0.7145793600000000,  0.0465198500000000,  0.0719028600000000 ]
     mass: 32.065000
   - symbol: S  # 11
     coordinates: [  0.7145793600000000,  0.9534801500000000,  0.5719028600000000 ]
     mass: 32.065000
   - symbol: S  # 12
     coordinates: [  0.2854206400000000,  0.9534801500000000,  0.9280971400000000 ]
     mass: 32.065000
   - symbol: S  # 13
     coordinates: [  0.5447700900000000,  0.7837175300000000,  0.5587072600000000 ]
     mass: 32.065000
   - symbol: S  # 14
     coordinates: [  0.4552299100000000,  0.7837175300000000,  0.9412927400000000 ]
     mass: 32.065000
   - symbol: S  # 15
     coordinates: [  0.4552299100000000,  0.2162824700000000,  0.4412927400000000 ]
     mass: 32.065000
   - symbol: S  # 16
     coordinates: [  0.5447700900000000,  0.2162824700000000,  0.0587072600000000 ]
     mass: 32.065000
   - symbol: S  # 17
     coordinates: [  0.3190015300000000,  0.7880045100000000,  0.2316382700000000 ]
     mass: 32.065000
   - symbol: S  # 18
     coordinates: [  0.6809984700000000,  0.7880045100000000,  0.2683617300000000 ]
     mass: 32.065000
   - symbol: S  # 19
     coordinates: [  0.6809984700000000,  0.2119954900000000,  0.7683617300000000 ]
     mass: 32.065000
   - symbol: S  # 20
     coordinates: [  0.3190015300000000,  0.2119954900000000,  0.7316382700000000 ]
     mass: 32.065000
   - symbol: S  # 21
     coordinates: [  0.0000000000000000,  0.5365038600000001,  0.7500000000000000 ]
     mass: 32.065000
   - symbol: S  # 22
     coordinates: [  0.0000000000000000,  0.4634961400000000,  0.2500000000000000 ]
     mass: 32.065000
   - symbol: S  # 23
     coordinates: [  0.0000000000000000,  0.8902735500000000,  0.7500000000000000 ]
     mass: 32.065000
   - symbol: S  # 24
     coordinates: [  0.0000000000000000,  0.1097264500000000,  0.2500000000000000 ]
     mass: 32.065000
   - symbol: S  # 25
     coordinates: [  0.3769982900000000,  0.3788877300000000,  0.0438490500000000 ]
     mass: 32.065000
   - symbol: S  # 26
     coordinates: [  0.6230017100000000,  0.3788877300000000,  0.4561509500000000 ]
     mass: 32.065000
   - symbol: S  # 27
     coordinates: [  0.6230017100000000,  0.6211122700000000,  0.9561509500000001 ]
     mass: 32.065000
   - symbol: S  # 28
     coordinates: [  0.3769982900000000,  0.6211122700000000,  0.5438490499999999 ]
     mass: 32.065000
   - symbol: S  # 29
     coordinates: [  0.7854206400000000,  0.5465198500000000,  0.4280971400000000 ]
     mass: 32.065000
   - symbol: S  # 30
     coordinates: [  0.2145793600000000,  0.5465198500000000,  0.0719028600000000 ]
     mass: 32.065000
   - symbol: S  # 31
     coordinates: [  0.2145793600000000,  0.4534801500000000,  0.5719028600000000 ]
     mass: 32.065000
   - symbol: S  # 32
     coordinates: [  0.7854206400000000,  0.4534801500000000,  0.9280971400000000 ]
     mass: 32.065000
   - symbol: S  # 33
     coordinates: [  0.0447700900000000,  0.2837175300000000,  0.5587072600000000 ]
     mass: 32.065000
   - symbol: S  # 34
     coordinates: [  0.9552299100000000,  0.2837175300000000,  0.9412927400000000 ]
     mass: 32.065000
   - symbol: S  # 35
     coordinates: [  0.9552299100000000,  0.7162824700000000,  0.4412927400000000 ]
     mass: 32.065000
   - symbol: S  # 36
     coordinates: [  0.0447700900000000,  0.7162824700000000,  0.0587072600000000 ]
     mass: 32.065000
   - symbol: S  # 37
     coordinates: [  0.8190015300000000,  0.2880045100000000,  0.2316382700000000 ]
     mass: 32.065000
   - symbol: S  # 38
     coordinates: [  0.1809984700000000,  0.2880045100000000,  0.2683617300000000 ]
     mass: 32.065000
   - symbol: S  # 39
     coordinates: [  0.1809984700000000,  0.7119954900000000,  0.7683617300000000 ]
     mass: 32.065000
   - symbol: S  # 40
     coordinates: [  0.8190015300000000,  0.7119954900000000,  0.7316382700000000 ]
     mass: 32.065000
   - symbol: Ge # 41
     coordinates: [  0.5681790400000000,  0.7025568500000000,  0.1111133000000000 ]
     mass: 72.640000
   - symbol: Ge # 42
     coordinates: [  0.4318209600000000,  0.7025568500000000,  0.3888867000000000 ]
     mass: 72.640000
   - symbol: Ge # 43
     coordinates: [  0.4318209600000000,  0.2974431500000000,  0.8888867000000000 ]
     mass: 72.640000
   - symbol: Ge # 44
     coordinates: [  0.5681790400000000,  0.2974431500000000,  0.6111133000000000 ]
     mass: 72.640000
   - symbol: Ge # 45
     coordinates: [  0.3925510400000000,  0.1270929500000000,  0.5899804600000000 ]
     mass: 72.640000
   - symbol: Ge # 46
     coordinates: [  0.6074489600000000,  0.1270929500000000,  0.9100195400000000 ]
     mass: 72.640000
   - symbol: Ge # 47
     coordinates: [  0.6074489600000000,  0.8729070500000000,  0.4100195400000000 ]
     mass: 72.640000
   - symbol: Ge # 48
     coordinates: [  0.3925510400000000,  0.8729070500000000,  0.0899804600000000 ]
     mass: 72.640000
   - symbol: Ge # 49
     coordinates: [  0.0681790400000000,  0.2025568500000000,  0.1111133000000000 ]
     mass: 72.640000
   - symbol: Ge # 50
     coordinates: [  0.9318209600000000,  0.2025568500000000,  0.3888867000000000 ]
     mass: 72.640000
   - symbol: Ge # 51
     coordinates: [  0.9318209600000000,  0.7974431500000000,  0.8888867000000000 ]
     mass: 72.640000
   - symbol: Ge # 52
     coordinates: [  0.0681790400000000,  0.7974431500000000,  0.6111133000000000 ]
     mass: 72.640000
   - symbol: Ge # 53
     coordinates: [  0.8925510400000000,  0.6270929500000000,  0.5899804600000000 ]
     mass: 72.640000
   - symbol: Ge # 54
     coordinates: [  0.1074489600000000,  0.6270929500000000,  0.9100195400000000 ]
     mass: 72.640000
   - symbol: Ge # 55
     coordinates: [  0.1074489600000000,  0.3729070500000000,  0.4100195400000000 ]
     mass: 72.640000
   - symbol: Ge # 56
     coordinates: [  0.8925510400000000,  0.3729070500000000,  0.0899804600000000 ]
     mass: 72.640000
   - symbol: Tl # 57
     coordinates: [  0.8621724400000000,  0.9369109900000000,  0.3951557100000000 ]
     mass: 204.383300
   - symbol: Tl # 58
     coordinates: [  0.1378275600000000,  0.9369109900000000,  0.1048442900000000 ]
     mass: 204.383300
   - symbol: Tl # 59
     coordinates: [  0.1378275600000000,  0.0630890100000000,  0.6048442900000000 ]
     mass: 204.383300
   - symbol: Tl # 60
     coordinates: [  0.8621724400000000,  0.0630890100000000,  0.8951557100000000 ]
     mass: 204.383300
   - symbol: Tl # 61
     coordinates: [  0.3299242700000000,  0.1283416000000000,  0.1055967500000000 ]
     mass: 204.383300
   - symbol: Tl # 62
     coordinates: [  0.6700757300000000,  0.1283416000000000,  0.3944032500000000 ]
     mass: 204.383300
   - symbol: Tl # 63
     coordinates: [  0.6700757300000000,  0.8716584000000001,  0.8944032500000000 ]
     mass: 204.383300
   - symbol: Tl # 64
     coordinates: [  0.3299242700000000,  0.8716584000000001,  0.6055967500000000 ]
     mass: 204.383300
   - symbol: Tl # 65
     coordinates: [  0.3621724400000000,  0.4369109900000000,  0.3951557100000000 ]
     mass: 204.383300
   - symbol: Tl # 66
     coordinates: [  0.6378275600000000,  0.4369109900000000,  0.1048442900000000 ]
     mass: 204.383300
   - symbol: Tl # 67
     coordinates: [  0.6378275600000000,  0.5630890100000000,  0.6048442900000000 ]
     mass: 204.383300
   - symbol: Tl # 68
     coordinates: [  0.3621724400000000,  0.5630890100000000,  0.8951557100000000 ]
     mass: 204.383300
   - symbol: Tl # 69
     coordinates: [  0.8299242700000000,  0.6283415999999999,  0.1055967500000000 ]
     mass: 204.383300
   - symbol: Tl # 70
     coordinates: [  0.1700757300000000,  0.6283415999999999,  0.3944032500000000 ]
     mass: 204.383300
   - symbol: Tl # 71
     coordinates: [  0.1700757300000000,  0.3716584000000000,  0.8944032500000000 ]
     mass: 204.383300
   - symbol: Tl # 72
     coordinates: [  0.8299242700000000,  0.3716584000000000,  0.6055967500000000 ]
     mass: 204.383300
   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