Materials id 14283 / Sr2InF7 / 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-14283-20180417.tar.lzma <./mp-14283-20180417.tar.lzma>`
- Link to Materials Project: `https://www.materialsproject.org/materials/mp-14283/ <https://www.materialsproject.org/materials/mp-14283/>`_

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

.. image:: mp-14283-band.png

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

.. image:: mp-14283-dos.png

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

Imaginary modes are excluded if they exist.

.. image:: mp-14283-tprops.png

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

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

::

   lattice:
   - [     5.4677379600000000,     0.0000000000000000,    -0.0051950500000000 ] # a
   - [     0.0000000000000000,    12.2529743799999995,     0.0000000000000000 ] # b
   - [    -0.0931273800000000,     0.0000000000000000,     8.2796413100000006 ] # c
   points:
   - symbol: F  # 1
     coordinates: [  0.2045265000000000,  0.1412936600000000,  0.0353746300000000 ]
     mass: 18.998403
   - symbol: F  # 2
     coordinates: [  0.7954734999999999,  0.6412936600000000,  0.4646253700000000 ]
     mass: 18.998403
   - symbol: F  # 3
     coordinates: [  0.7954734999999999,  0.8587063400000000,  0.9646253700000000 ]
     mass: 18.998403
   - symbol: F  # 4
     coordinates: [  0.2045265000000000,  0.3587063400000000,  0.5353746300000000 ]
     mass: 18.998403
   - symbol: F  # 5
     coordinates: [  0.6321028300000000,  0.4271504700000000,  0.3748300300000000 ]
     mass: 18.998403
   - symbol: F  # 6
     coordinates: [  0.3678971700000000,  0.9271504699999999,  0.1251699700000000 ]
     mass: 18.998403
   - symbol: F  # 7
     coordinates: [  0.3678971700000000,  0.5728495300000001,  0.6251699700000000 ]
     mass: 18.998403
   - symbol: F  # 8
     coordinates: [  0.6321028300000000,  0.0728495300000000,  0.8748300300000000 ]
     mass: 18.998403
   - symbol: F  # 9
     coordinates: [  0.5045835000000000,  0.7720148400000000,  0.7027279300000000 ]
     mass: 18.998403
   - symbol: F  # 10
     coordinates: [  0.4954165000000000,  0.2720148400000000,  0.7972720700000000 ]
     mass: 18.998403
   - symbol: F  # 11
     coordinates: [  0.4954165000000000,  0.2279851600000000,  0.2972720700000000 ]
     mass: 18.998403
   - symbol: F  # 12
     coordinates: [  0.5045835000000000,  0.7279851600000000,  0.2027279300000000 ]
     mass: 18.998403
   - symbol: F  # 13
     coordinates: [  0.5053053300000000,  0.6040260100000000,  0.9265717200000000 ]
     mass: 18.998403
   - symbol: F  # 14
     coordinates: [  0.4946946700000000,  0.1040260100000000,  0.5734282800000000 ]
     mass: 18.998403
   - symbol: F  # 15
     coordinates: [  0.4946946700000000,  0.3959739900000000,  0.0734282800000000 ]
     mass: 18.998403
   - symbol: F  # 16
     coordinates: [  0.5053053300000000,  0.8959739900000000,  0.4265717200000000 ]
     mass: 18.998403
   - symbol: F  # 17
     coordinates: [  0.9881961900000000,  0.7559141500000000,  0.6937086900000000 ]
     mass: 18.998403
   - symbol: F  # 18
     coordinates: [  0.0118038100000000,  0.2559141500000000,  0.8062913100000000 ]
     mass: 18.998403
   - symbol: F  # 19
     coordinates: [  0.0118038100000000,  0.2440858500000000,  0.3062913100000000 ]
     mass: 18.998403
   - symbol: F  # 20
     coordinates: [  0.9881961900000000,  0.7440858500000000,  0.1937086900000000 ]
     mass: 18.998403
   - symbol: F  # 21
     coordinates: [  0.9867263800000000,  0.6042574800000000,  0.9112786500000000 ]
     mass: 18.998403
   - symbol: F  # 22
     coordinates: [  0.0132736200000000,  0.1042574800000000,  0.5887213500000000 ]
     mass: 18.998403
   - symbol: F  # 23
     coordinates: [  0.0132736200000000,  0.3957425200000000,  0.0887213500000000 ]
     mass: 18.998403
   - symbol: F  # 24
     coordinates: [  0.9867263800000000,  0.8957425200000000,  0.4112786500000000 ]
     mass: 18.998403
   - symbol: F  # 25
     coordinates: [  0.1972530200000000,  0.9573806400000000,  0.7879646500000000 ]
     mass: 18.998403
   - symbol: F  # 26
     coordinates: [  0.8027469800000000,  0.4573806400000000,  0.7120353500000000 ]
     mass: 18.998403
   - symbol: F  # 27
     coordinates: [  0.8027469800000000,  0.0426193600000000,  0.2120353500000000 ]
     mass: 18.998403
   - symbol: F  # 28
     coordinates: [  0.1972530200000000,  0.5426193600000000,  0.2879646500000000 ]
     mass: 18.998403
   - symbol: Sr # 29
     coordinates: [  0.2350762000000000,  0.7212126700000000,  0.4461821100000000 ]
     mass: 87.620000
   - symbol: Sr # 30
     coordinates: [  0.7649238000000000,  0.2212126700000000,  0.0538178900000000 ]
     mass: 87.620000
   - symbol: Sr # 31
     coordinates: [  0.7649238000000000,  0.2787873300000000,  0.5538178900000000 ]
     mass: 87.620000
   - symbol: Sr # 32
     coordinates: [  0.2350762000000000,  0.7787873300000000,  0.9461821100000000 ]
     mass: 87.620000
   - symbol: Sr # 33
     coordinates: [  0.7641715900000000,  0.9381355200000000,  0.6758725600000000 ]
     mass: 87.620000
   - symbol: Sr # 34
     coordinates: [  0.2358284100000000,  0.4381355200000000,  0.8241274400000000 ]
     mass: 87.620000
   - symbol: Sr # 35
     coordinates: [  0.2358284100000000,  0.0618644800000000,  0.3241274400000000 ]
     mass: 87.620000
   - symbol: Sr # 36
     coordinates: [  0.7641715900000000,  0.5618644800000000,  0.1758725600000000 ]
     mass: 87.620000
   - symbol: In # 37
     coordinates: [  0.7207007300000000,  0.6251734000000000,  0.7128966100000000 ]
     mass: 114.818000
   - symbol: In # 38
     coordinates: [  0.2792992700000000,  0.1251734000000000,  0.7871033900000000 ]
     mass: 114.818000
   - symbol: In # 39
     coordinates: [  0.2792992700000000,  0.3748266000000000,  0.2871033900000000 ]
     mass: 114.818000
   - symbol: In # 40
     coordinates: [  0.7207007300000000,  0.8748266000000000,  0.2128966100000000 ]
     mass: 114.818000
   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

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