Materials id 15339 / Sr3As4 / Fdd2 (43)
==============================================================================

- Date page updated: 2018-4-17
- Space group type: Fdd2 (43) / F 2 -2d
- Number of formula units (Z): 8
- Phonon raw data: :download:`mp-15339-20180417.tar.lzma <./mp-15339-20180417.tar.lzma>`
- Link to Materials Project: `https://www.materialsproject.org/materials/mp-15339/ <https://www.materialsproject.org/materials/mp-15339/>`_

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

.. image:: mp-15339-band.png

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

.. image:: mp-15339-dos.png

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

Imaginary modes are excluded if they exist.

.. image:: mp-15339-tprops.png

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

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

::

   lattice:
   - [    14.7317495500000000,     0.0000000000000000,     0.0000000000000000 ] # a
   - [     0.0000000000000000,    17.7453405699999998,     0.0000000000000000 ] # b
   - [     0.0000000000000000,     0.0000000000000000,     5.9381861799999998 ] # c
   points:
   - symbol: As # 1
     coordinates: [  0.1639224900000000,  0.2525644100000000,  0.4974227900000000 ]
     mass: 74.921600
   - symbol: As # 2
     coordinates: [  0.3360775100000000,  0.2474355900000000,  0.4974227900000000 ]
     mass: 74.921600
   - symbol: As # 3
     coordinates: [  0.0860775100000000,  0.0025644100000000,  0.2474227900000000 ]
     mass: 74.921600
   - symbol: As # 4
     coordinates: [  0.4139224900000000,  0.4974355900000000,  0.2474227900000000 ]
     mass: 74.921600
   - symbol: As # 5
     coordinates: [  0.4153744800000000,  0.3302615600000000,  0.7678637300000000 ]
     mass: 74.921600
   - symbol: As # 6
     coordinates: [  0.0846255200000000,  0.1697384400000000,  0.7678637300000000 ]
     mass: 74.921600
   - symbol: As # 7
     coordinates: [  0.1653744800000000,  0.4197384400000000,  0.0178637300000000 ]
     mass: 74.921600
   - symbol: As # 8
     coordinates: [  0.3346255200000000,  0.0802615600000000,  0.0178637300000000 ]
     mass: 74.921600
   - symbol: As # 9
     coordinates: [  0.1639224900000000,  0.7525644100000000,  0.9974227900000000 ]
     mass: 74.921600
   - symbol: As # 10
     coordinates: [  0.3360775100000000,  0.7474355900000000,  0.9974227900000000 ]
     mass: 74.921600
   - symbol: As # 11
     coordinates: [  0.0860775100000000,  0.5025644100000000,  0.7474227900000000 ]
     mass: 74.921600
   - symbol: As # 12
     coordinates: [  0.4139224900000000,  0.9974355900000000,  0.7474227900000000 ]
     mass: 74.921600
   - symbol: As # 13
     coordinates: [  0.4153744800000000,  0.8302615600000000,  0.2678637300000000 ]
     mass: 74.921600
   - symbol: As # 14
     coordinates: [  0.0846255200000000,  0.6697384400000000,  0.2678637300000000 ]
     mass: 74.921600
   - symbol: As # 15
     coordinates: [  0.1653744800000000,  0.9197384400000000,  0.5178637300000000 ]
     mass: 74.921600
   - symbol: As # 16
     coordinates: [  0.3346255200000000,  0.5802615600000000,  0.5178637300000000 ]
     mass: 74.921600
   - symbol: As # 17
     coordinates: [  0.6639224900000000,  0.2525644100000000,  0.9974227900000000 ]
     mass: 74.921600
   - symbol: As # 18
     coordinates: [  0.8360775100000000,  0.2474355900000000,  0.9974227900000000 ]
     mass: 74.921600
   - symbol: As # 19
     coordinates: [  0.5860775100000000,  0.0025644100000000,  0.7474227900000000 ]
     mass: 74.921600
   - symbol: As # 20
     coordinates: [  0.9139224900000000,  0.4974355900000000,  0.7474227900000000 ]
     mass: 74.921600
   - symbol: As # 21
     coordinates: [  0.9153744800000000,  0.3302615600000000,  0.2678637300000000 ]
     mass: 74.921600
   - symbol: As # 22
     coordinates: [  0.5846255200000000,  0.1697384400000000,  0.2678637300000000 ]
     mass: 74.921600
   - symbol: As # 23
     coordinates: [  0.6653744800000000,  0.4197384400000000,  0.5178637300000000 ]
     mass: 74.921600
   - symbol: As # 24
     coordinates: [  0.8346255200000000,  0.0802615600000000,  0.5178637300000000 ]
     mass: 74.921600
   - symbol: As # 25
     coordinates: [  0.6639224900000000,  0.7525644100000000,  0.4974227900000000 ]
     mass: 74.921600
   - symbol: As # 26
     coordinates: [  0.8360775100000000,  0.7474355900000000,  0.4974227900000000 ]
     mass: 74.921600
   - symbol: As # 27
     coordinates: [  0.5860775100000000,  0.5025644100000000,  0.2474227900000000 ]
     mass: 74.921600
   - symbol: As # 28
     coordinates: [  0.9139224900000000,  0.9974355900000000,  0.2474227900000000 ]
     mass: 74.921600
   - symbol: As # 29
     coordinates: [  0.9153744800000000,  0.8302615600000000,  0.7678637300000000 ]
     mass: 74.921600
   - symbol: As # 30
     coordinates: [  0.5846255200000000,  0.6697384400000000,  0.7678637300000000 ]
     mass: 74.921600
   - symbol: As # 31
     coordinates: [  0.6653744800000000,  0.9197384400000000,  0.0178637300000000 ]
     mass: 74.921600
   - symbol: As # 32
     coordinates: [  0.8346255200000000,  0.5802615600000000,  0.0178637300000000 ]
     mass: 74.921600
   - symbol: Sr # 33
     coordinates: [  0.4978321200000000,  0.1671397400000000,  0.7761237800000000 ]
     mass: 87.620000
   - symbol: Sr # 34
     coordinates: [  0.0021678800000000,  0.3328602600000000,  0.7761237800000000 ]
     mass: 87.620000
   - symbol: Sr # 35
     coordinates: [  0.2521678800000000,  0.4171397400000000,  0.5261237800000000 ]
     mass: 87.620000
   - symbol: Sr # 36
     coordinates: [  0.2478321200000000,  0.0828602600000000,  0.5261237800000000 ]
     mass: 87.620000
   - symbol: Sr # 37
     coordinates: [  0.2500000000000000,  0.2500000000000000,  0.9979794000000000 ]
     mass: 87.620000
   - symbol: Sr # 38
     coordinates: [  0.0000000000000000,  0.5000000000000000,  0.2479794000000000 ]
     mass: 87.620000
   - symbol: Sr # 39
     coordinates: [  0.4978321200000000,  0.6671397400000000,  0.2761237800000000 ]
     mass: 87.620000
   - symbol: Sr # 40
     coordinates: [  0.0021678800000000,  0.8328602600000000,  0.2761237800000000 ]
     mass: 87.620000
   - symbol: Sr # 41
     coordinates: [  0.2521678800000000,  0.9171397400000000,  0.0261237800000000 ]
     mass: 87.620000
   - symbol: Sr # 42
     coordinates: [  0.2478321200000000,  0.5828602600000000,  0.0261237800000000 ]
     mass: 87.620000
   - symbol: Sr # 43
     coordinates: [  0.2500000000000000,  0.7500000000000000,  0.4979794000000000 ]
     mass: 87.620000
   - symbol: Sr # 44
     coordinates: [  0.0000000000000000,  0.0000000000000000,  0.7479794000000000 ]
     mass: 87.620000
   - symbol: Sr # 45
     coordinates: [  0.9978321200000000,  0.1671397400000000,  0.2761237800000000 ]
     mass: 87.620000
   - symbol: Sr # 46
     coordinates: [  0.5021678800000000,  0.3328602600000000,  0.2761237800000000 ]
     mass: 87.620000
   - symbol: Sr # 47
     coordinates: [  0.7521678800000000,  0.4171397400000000,  0.0261237800000000 ]
     mass: 87.620000
   - symbol: Sr # 48
     coordinates: [  0.7478321200000000,  0.0828602600000000,  0.0261237800000000 ]
     mass: 87.620000
   - symbol: Sr # 49
     coordinates: [  0.7500000000000000,  0.2500000000000000,  0.4979794000000000 ]
     mass: 87.620000
   - symbol: Sr # 50
     coordinates: [  0.5000000000000000,  0.5000000000000000,  0.7479794000000000 ]
     mass: 87.620000
   - symbol: Sr # 51
     coordinates: [  0.9978321200000000,  0.6671397400000000,  0.7761237800000000 ]
     mass: 87.620000
   - symbol: Sr # 52
     coordinates: [  0.5021678800000000,  0.8328602600000000,  0.7761237800000000 ]
     mass: 87.620000
   - symbol: Sr # 53
     coordinates: [  0.7521678800000000,  0.9171397400000000,  0.5261237800000000 ]
     mass: 87.620000
   - symbol: Sr # 54
     coordinates: [  0.7478321200000000,  0.5828602600000000,  0.5261237800000000 ]
     mass: 87.620000
   - symbol: Sr # 55
     coordinates: [  0.7500000000000000,  0.7500000000000000,  0.9979794000000000 ]
     mass: 87.620000
   - symbol: Sr # 56
     coordinates: [  0.5000000000000000,  0.0000000000000000,  0.2479794000000000 ]
     mass: 87.620000
   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