Materials id 15077 / Ag7AsS6 / P2_13 (198)
==============================================================================

- Date page updated: 2018-4-17
- Space group type: P2_13 (198) / P 2ac 2ab 3
- Number of formula units (Z): 4
- Phonon raw data: :download:`mp-15077-20180417.tar.lzma <./mp-15077-20180417.tar.lzma>`
- Link to Materials Project: `https://www.materialsproject.org/materials/mp-15077/ <https://www.materialsproject.org/materials/mp-15077/>`_

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

.. image:: mp-15077-band.png

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

.. image:: mp-15077-dos.png

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

Imaginary modes are excluded if they exist.

.. image:: mp-15077-tprops.png

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

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

::

   lattice:
   - [    10.3056305300000002,     0.0000000000000000,     0.0000000000000000 ] # a
   - [     0.0000000000000000,    10.3056305300000002,     0.0000000000000000 ] # b
   - [     0.0000000000000000,     0.0000000000000000,    10.3056305300000002 ] # c
   points:
   - symbol: S  # 1
     coordinates: [  0.8696847599999999,  0.6236146299999999,  0.1146174100000000 ]
     mass: 32.065000
   - symbol: S  # 2
     coordinates: [  0.3696847600000000,  0.8763853700000001,  0.8853825900000000 ]
     mass: 32.065000
   - symbol: S  # 3
     coordinates: [  0.1303152400000000,  0.1236146300000000,  0.3853825900000000 ]
     mass: 32.065000
   - symbol: S  # 4
     coordinates: [  0.8763853700000001,  0.8853825900000000,  0.3696847600000000 ]
     mass: 32.065000
   - symbol: S  # 5
     coordinates: [  0.3853825900000000,  0.1303152400000000,  0.1236146300000000 ]
     mass: 32.065000
   - symbol: S  # 6
     coordinates: [  0.8853825900000000,  0.3696847600000000,  0.8763853700000001 ]
     mass: 32.065000
   - symbol: S  # 7
     coordinates: [  0.6236146299999999,  0.1146174100000000,  0.8696847599999999 ]
     mass: 32.065000
   - symbol: S  # 8
     coordinates: [  0.1146174100000000,  0.8696847599999999,  0.6236146299999999 ]
     mass: 32.065000
   - symbol: S  # 9
     coordinates: [  0.1236146300000000,  0.3853825900000000,  0.1303152400000000 ]
     mass: 32.065000
   - symbol: S  # 10
     coordinates: [  0.3763853700000000,  0.6146174100000000,  0.6303152400000001 ]
     mass: 32.065000
   - symbol: S  # 11
     coordinates: [  0.6146174100000000,  0.6303152400000001,  0.3763853700000000 ]
     mass: 32.065000
   - symbol: S  # 12
     coordinates: [  0.6303152400000001,  0.3763853700000000,  0.6146174100000000 ]
     mass: 32.065000
   - symbol: S  # 13
     coordinates: [  0.2288751800000000,  0.2711248200000000,  0.7288751800000000 ]
     mass: 32.065000
   - symbol: S  # 14
     coordinates: [  0.0371345400000000,  0.0371345400000000,  0.0371345400000000 ]
     mass: 32.065000
   - symbol: S  # 15
     coordinates: [  0.2711248200000000,  0.7288751800000000,  0.2288751800000000 ]
     mass: 32.065000
   - symbol: S  # 16
     coordinates: [  0.7711248200000000,  0.7711248200000000,  0.7711248200000000 ]
     mass: 32.065000
   - symbol: S  # 17
     coordinates: [  0.6223021000000000,  0.8776979000000000,  0.1223021000000000 ]
     mass: 32.065000
   - symbol: S  # 18
     coordinates: [  0.8776979000000000,  0.1223021000000000,  0.6223021000000000 ]
     mass: 32.065000
   - symbol: S  # 19
     coordinates: [  0.1223021000000000,  0.6223021000000000,  0.8776979000000000 ]
     mass: 32.065000
   - symbol: S  # 20
     coordinates: [  0.3776979000000000,  0.3776979000000000,  0.3776979000000000 ]
     mass: 32.065000
   - symbol: S  # 21
     coordinates: [  0.9628654600000000,  0.5371345400000000,  0.4628654600000000 ]
     mass: 32.065000
   - symbol: S  # 22
     coordinates: [  0.5371345400000000,  0.4628654600000000,  0.9628654600000000 ]
     mass: 32.065000
   - symbol: S  # 23
     coordinates: [  0.4628654600000000,  0.9628654600000000,  0.5371345400000000 ]
     mass: 32.065000
   - symbol: S  # 24
     coordinates: [  0.7288751800000000,  0.2288751800000000,  0.2711248200000000 ]
     mass: 32.065000
   - symbol: As # 25
     coordinates: [  0.4988716900000000,  0.0011283100000000,  0.9988716900000000 ]
     mass: 74.921600
   - symbol: As # 26
     coordinates: [  0.0011283100000000,  0.9988716900000000,  0.4988716900000000 ]
     mass: 74.921600
   - symbol: As # 27
     coordinates: [  0.9988716900000000,  0.4988716900000000,  0.0011283100000000 ]
     mass: 74.921600
   - symbol: As # 28
     coordinates: [  0.5011283100000000,  0.5011283100000000,  0.5011283100000000 ]
     mass: 74.921600
   - symbol: Ag # 29
     coordinates: [  0.6522845800000000,  0.6748252200000000,  0.9860227200000000 ]
     mass: 107.868200
   - symbol: Ag # 30
     coordinates: [  0.1522845800000000,  0.8251747800000000,  0.0139772800000000 ]
     mass: 107.868200
   - symbol: Ag # 31
     coordinates: [  0.3477154200000000,  0.1748252200000000,  0.5139772800000000 ]
     mass: 107.868200
   - symbol: Ag # 32
     coordinates: [  0.8251747800000000,  0.0139772800000000,  0.1522845800000000 ]
     mass: 107.868200
   - symbol: Ag # 33
     coordinates: [  0.5139772800000000,  0.3477154200000000,  0.1748252200000000 ]
     mass: 107.868200
   - symbol: Ag # 34
     coordinates: [  0.0139772800000000,  0.1522845800000000,  0.8251747800000000 ]
     mass: 107.868200
   - symbol: Ag # 35
     coordinates: [  0.6748252200000000,  0.9860227200000000,  0.6522845800000000 ]
     mass: 107.868200
   - symbol: Ag # 36
     coordinates: [  0.9860227200000000,  0.6522845800000000,  0.6748252200000000 ]
     mass: 107.868200
   - symbol: Ag # 37
     coordinates: [  0.1748252200000000,  0.5139772800000000,  0.3477154200000000 ]
     mass: 107.868200
   - symbol: Ag # 38
     coordinates: [  0.3251747800000000,  0.4860227200000000,  0.8477154200000000 ]
     mass: 107.868200
   - symbol: Ag # 39
     coordinates: [  0.4860227200000000,  0.8477154200000000,  0.3251747800000000 ]
     mass: 107.868200
   - symbol: Ag # 40
     coordinates: [  0.8477154200000000,  0.3251747800000000,  0.4860227200000000 ]
     mass: 107.868200
   - symbol: Ag # 41
     coordinates: [  0.7588752200000000,  0.4688990800000000,  0.2595677200000000 ]
     mass: 107.868200
   - symbol: Ag # 42
     coordinates: [  0.2588752200000000,  0.0311009200000000,  0.7404322800000001 ]
     mass: 107.868200
   - symbol: Ag # 43
     coordinates: [  0.2411247800000000,  0.9688990800000000,  0.2404322800000000 ]
     mass: 107.868200
   - symbol: Ag # 44
     coordinates: [  0.0311009200000000,  0.7404322800000001,  0.2588752200000000 ]
     mass: 107.868200
   - symbol: Ag # 45
     coordinates: [  0.2404322800000000,  0.2411247800000000,  0.9688990800000000 ]
     mass: 107.868200
   - symbol: Ag # 46
     coordinates: [  0.7404322800000001,  0.2588752200000000,  0.0311009200000000 ]
     mass: 107.868200
   - symbol: Ag # 47
     coordinates: [  0.4688990800000000,  0.2595677200000000,  0.7588752200000000 ]
     mass: 107.868200
   - symbol: Ag # 48
     coordinates: [  0.2595677200000000,  0.7588752200000000,  0.4688990800000000 ]
     mass: 107.868200
   - symbol: Ag # 49
     coordinates: [  0.9688990800000000,  0.2404322800000000,  0.2411247800000000 ]
     mass: 107.868200
   - symbol: Ag # 50
     coordinates: [  0.5311009200000000,  0.7595677199999999,  0.7411247800000000 ]
     mass: 107.868200
   - symbol: Ag # 51
     coordinates: [  0.7595677199999999,  0.7411247800000000,  0.5311009200000000 ]
     mass: 107.868200
   - symbol: Ag # 52
     coordinates: [  0.7411247800000000,  0.5311009200000000,  0.7595677199999999 ]
     mass: 107.868200
   - symbol: Ag # 53
     coordinates: [  0.0956788000000000,  0.4043212000000000,  0.5956788000000000 ]
     mass: 107.868200
   - symbol: Ag # 54
     coordinates: [  0.4043212000000000,  0.5956788000000000,  0.0956788000000000 ]
     mass: 107.868200
   - symbol: Ag # 55
     coordinates: [  0.5956788000000000,  0.0956788000000000,  0.4043212000000000 ]
     mass: 107.868200
   - symbol: Ag # 56
     coordinates: [  0.9043212000000000,  0.9043212000000000,  0.9043212000000000 ]
     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

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