Materials id 16402 / Tb4(SiS4)3 / P2_1/c (14)
==============================================================================

- Date page updated: 2018-4-17
- Space group type: P2_1/c (14) / -P 2ybc
- Number of formula units (Z): 4
- Phonon raw data: :download:`mp-16402-20180417.tar.lzma <./mp-16402-20180417.tar.lzma>`
- Link to Materials Project: `https://www.materialsproject.org/materials/mp-16402/ <https://www.materialsproject.org/materials/mp-16402/>`_

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

.. image:: mp-16402-band.png

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

.. image:: mp-16402-dos.png

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

Imaginary modes are excluded if they exist.

.. image:: mp-16402-tprops.png

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

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

::

   lattice:
   - [     9.7702606099999993,     0.0000000000000000,    -0.0561022700000000 ] # a
   - [     0.0000000000000000,    10.8722457800000001,     0.0000000000000000 ] # b
   - [    -6.0331417700000003,     0.0000000000000000,    15.8522335400000003 ] # c
   points:
   - symbol: Si # 1
     coordinates: [  0.9751807600000000,  0.2145135400000000,  0.7664504900000000 ]
     mass: 28.085500
   - symbol: Si # 2
     coordinates: [  0.0248192400000000,  0.7145135400000000,  0.7335495100000000 ]
     mass: 28.085500
   - symbol: Si # 3
     coordinates: [  0.0248192400000000,  0.7854864600000000,  0.2335495100000000 ]
     mass: 28.085500
   - symbol: Si # 4
     coordinates: [  0.9751807600000000,  0.2854864600000000,  0.2664504900000000 ]
     mass: 28.085500
   - symbol: Si # 5
     coordinates: [  0.2586947900000000,  0.3831061600000000,  0.0601163600000000 ]
     mass: 28.085500
   - symbol: Si # 6
     coordinates: [  0.7413052100000000,  0.8831061600000000,  0.4398836400000000 ]
     mass: 28.085500
   - symbol: Si # 7
     coordinates: [  0.7413052100000000,  0.6168938400000000,  0.9398836400000000 ]
     mass: 28.085500
   - symbol: Si # 8
     coordinates: [  0.2586947900000000,  0.1168938400000000,  0.5601163600000000 ]
     mass: 28.085500
   - symbol: Si # 9
     coordinates: [  0.6038656700000000,  0.0540716000000000,  0.8830056800000000 ]
     mass: 28.085500
   - symbol: Si # 10
     coordinates: [  0.3961343300000000,  0.5540716000000000,  0.6169943200000000 ]
     mass: 28.085500
   - symbol: Si # 11
     coordinates: [  0.3961343300000000,  0.9459284000000000,  0.1169943200000000 ]
     mass: 28.085500
   - symbol: Si # 12
     coordinates: [  0.6038656700000000,  0.4459284000000000,  0.3830056800000000 ]
     mass: 28.085500
   - symbol: S  # 13
     coordinates: [  0.0704333900000000,  0.0390877900000000,  0.8116928100000000 ]
     mass: 32.065000
   - symbol: S  # 14
     coordinates: [  0.9295666100000000,  0.5390877900000000,  0.6883071900000000 ]
     mass: 32.065000
   - symbol: S  # 15
     coordinates: [  0.9295666100000000,  0.9609122100000000,  0.1883071900000000 ]
     mass: 32.065000
   - symbol: S  # 16
     coordinates: [  0.0704333900000000,  0.4609122100000000,  0.3116928100000000 ]
     mass: 32.065000
   - symbol: S  # 17
     coordinates: [  0.1838450600000000,  0.5611719400000000,  0.0272753100000000 ]
     mass: 32.065000
   - symbol: S  # 18
     coordinates: [  0.8161549400000000,  0.0611719400000000,  0.4727246900000000 ]
     mass: 32.065000
   - symbol: S  # 19
     coordinates: [  0.8161549400000000,  0.4388280600000000,  0.9727246899999999 ]
     mass: 32.065000
   - symbol: S  # 20
     coordinates: [  0.1838450600000000,  0.9388280600000000,  0.5272753100000001 ]
     mass: 32.065000
   - symbol: S  # 21
     coordinates: [  0.5224008800000000,  0.2336056000000000,  0.8731506900000000 ]
     mass: 32.065000
   - symbol: S  # 22
     coordinates: [  0.4775991200000000,  0.7336056000000000,  0.6268493100000000 ]
     mass: 32.065000
   - symbol: S  # 23
     coordinates: [  0.4775991200000000,  0.7663944000000000,  0.1268493100000000 ]
     mass: 32.065000
   - symbol: S  # 24
     coordinates: [  0.5224008800000000,  0.2663944000000000,  0.3731506900000000 ]
     mass: 32.065000
   - symbol: S  # 25
     coordinates: [  0.1864022000000000,  0.9745346400000000,  0.0217159000000000 ]
     mass: 32.065000
   - symbol: S  # 26
     coordinates: [  0.8135978000000000,  0.4745346400000000,  0.4782841000000000 ]
     mass: 32.065000
   - symbol: S  # 27
     coordinates: [  0.8135978000000000,  0.0254653600000000,  0.9782841000000000 ]
     mass: 32.065000
   - symbol: S  # 28
     coordinates: [  0.1864022000000000,  0.5254653600000000,  0.5217159000000000 ]
     mass: 32.065000
   - symbol: S  # 29
     coordinates: [  0.6201300900000000,  0.9775592800000000,  0.7705391400000000 ]
     mass: 32.065000
   - symbol: S  # 30
     coordinates: [  0.3798699100000000,  0.4775592800000000,  0.7294608600000000 ]
     mass: 32.065000
   - symbol: S  # 31
     coordinates: [  0.3798699100000000,  0.0224407200000000,  0.2294608600000000 ]
     mass: 32.065000
   - symbol: S  # 32
     coordinates: [  0.6201300900000000,  0.5224407200000000,  0.2705391400000000 ]
     mass: 32.065000
   - symbol: S  # 33
     coordinates: [  0.4471827300000000,  0.9351242200000000,  0.9071725500000000 ]
     mass: 32.065000
   - symbol: S  # 34
     coordinates: [  0.5528172700000000,  0.4351242200000000,  0.5928274500000000 ]
     mass: 32.065000
   - symbol: S  # 35
     coordinates: [  0.5528172700000000,  0.0648757800000000,  0.0928274500000000 ]
     mass: 32.065000
   - symbol: S  # 36
     coordinates: [  0.4471827300000000,  0.5648757800000000,  0.4071725500000000 ]
     mass: 32.065000
   - symbol: S  # 37
     coordinates: [  0.4629211300000000,  0.3459500800000000,  0.0527319600000000 ]
     mass: 32.065000
   - symbol: S  # 38
     coordinates: [  0.5370788700000000,  0.8459500800000000,  0.4472680400000000 ]
     mass: 32.065000
   - symbol: S  # 39
     coordinates: [  0.5370788700000000,  0.6540499200000000,  0.9472680400000000 ]
     mass: 32.065000
   - symbol: S  # 40
     coordinates: [  0.4629211300000000,  0.1540499200000000,  0.5527319600000000 ]
     mass: 32.065000
   - symbol: S  # 41
     coordinates: [  0.0949102200000000,  0.2594562400000000,  0.9845019400000000 ]
     mass: 32.065000
   - symbol: S  # 42
     coordinates: [  0.9050897800000000,  0.7594562400000000,  0.5154980600000000 ]
     mass: 32.065000
   - symbol: S  # 43
     coordinates: [  0.9050897800000000,  0.7405437600000000,  0.0154980600000000 ]
     mass: 32.065000
   - symbol: S  # 44
     coordinates: [  0.0949102200000000,  0.2405437600000000,  0.4845019400000000 ]
     mass: 32.065000
   - symbol: S  # 45
     coordinates: [  0.1606463100000000,  0.3364246800000000,  0.8128958900000000 ]
     mass: 32.065000
   - symbol: S  # 46
     coordinates: [  0.8393536900000000,  0.8364246800000000,  0.6871041100000000 ]
     mass: 32.065000
   - symbol: S  # 47
     coordinates: [  0.8393536900000000,  0.6635753200000000,  0.1871041100000000 ]
     mass: 32.065000
   - symbol: S  # 48
     coordinates: [  0.1606463100000000,  0.1635753200000000,  0.3128958900000000 ]
     mass: 32.065000
   - symbol: S  # 49
     coordinates: [  0.1130713800000000,  0.7127011200000000,  0.8664049200000000 ]
     mass: 32.065000
   - symbol: S  # 50
     coordinates: [  0.8869286199999999,  0.2127011200000000,  0.6335950800000000 ]
     mass: 32.065000
   - symbol: S  # 51
     coordinates: [  0.8869286199999999,  0.2872988800000000,  0.1335950800000000 ]
     mass: 32.065000
   - symbol: S  # 52
     coordinates: [  0.1130713800000000,  0.7872988800000000,  0.3664049200000000 ]
     mass: 32.065000
   - symbol: S  # 53
     coordinates: [  0.7367405900000000,  0.6529528200000000,  0.8147964100000000 ]
     mass: 32.065000
   - symbol: S  # 54
     coordinates: [  0.2632594100000000,  0.1529528200000000,  0.6852035900000000 ]
     mass: 32.065000
   - symbol: S  # 55
     coordinates: [  0.2632594100000000,  0.3470471800000000,  0.1852035900000000 ]
     mass: 32.065000
   - symbol: S  # 56
     coordinates: [  0.7367405900000000,  0.8470471800000000,  0.3147964100000000 ]
     mass: 32.065000
   - symbol: S  # 57
     coordinates: [  0.8126899300000000,  0.2748239500000000,  0.8122024700000000 ]
     mass: 32.065000
   - symbol: S  # 58
     coordinates: [  0.1873100700000000,  0.7748239500000000,  0.6877975300000000 ]
     mass: 32.065000
   - symbol: S  # 59
     coordinates: [  0.1873100700000000,  0.7251760500000000,  0.1877975300000000 ]
     mass: 32.065000
   - symbol: S  # 60
     coordinates: [  0.8126899300000000,  0.2251760500000000,  0.3122024700000000 ]
     mass: 32.065000
   - symbol: Tb # 61
     coordinates: [  0.5305926100000000,  0.2618322800000000,  0.7098979000000000 ]
     mass: 158.925350
   - symbol: Tb # 62
     coordinates: [  0.4694073900000000,  0.7618322800000000,  0.7901021000000000 ]
     mass: 158.925350
   - symbol: Tb # 63
     coordinates: [  0.4694073900000000,  0.7381677200000000,  0.2901021000000000 ]
     mass: 158.925350
   - symbol: Tb # 64
     coordinates: [  0.5305926100000000,  0.2381677200000000,  0.2098979000000000 ]
     mass: 158.925350
   - symbol: Tb # 65
     coordinates: [  0.8999075600000001,  0.8750143200000000,  0.8689448600000000 ]
     mass: 158.925350
   - symbol: Tb # 66
     coordinates: [  0.1000924400000000,  0.3750143200000000,  0.6310551400000000 ]
     mass: 158.925350
   - symbol: Tb # 67
     coordinates: [  0.1000924400000000,  0.1249856800000000,  0.1310551400000000 ]
     mass: 158.925350
   - symbol: Tb # 68
     coordinates: [  0.8999075600000001,  0.6249856800000000,  0.3689448600000000 ]
     mass: 158.925350
   - symbol: Tb # 69
     coordinates: [  0.3162073900000000,  0.1517923400000000,  0.9406066199999999 ]
     mass: 158.925350
   - symbol: Tb # 70
     coordinates: [  0.6837926100000000,  0.6517923400000000,  0.5593933800000001 ]
     mass: 158.925350
   - symbol: Tb # 71
     coordinates: [  0.6837926100000000,  0.8482076600000000,  0.0593933800000000 ]
     mass: 158.925350
   - symbol: Tb # 72
     coordinates: [  0.3162073900000000,  0.3482076600000000,  0.4406066200000000 ]
     mass: 158.925350
   - symbol: Tb # 73
     coordinates: [  0.9843259100000000,  0.4829925500000000,  0.8746002300000000 ]
     mass: 158.925350
   - symbol: Tb # 74
     coordinates: [  0.0156740900000000,  0.9829925500000000,  0.6253997700000000 ]
     mass: 158.925350
   - symbol: Tb # 75
     coordinates: [  0.0156740900000000,  0.5170074500000000,  0.1253997700000000 ]
     mass: 158.925350
   - symbol: Tb # 76
     coordinates: [  0.9843259100000000,  0.0170074500000000,  0.3746002300000000 ]
     mass: 158.925350
   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
   - 73
   - 74
   - 75
   - 76

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