Materials id 17464 / SrGeO3 / C2/c (15)
==============================================================================

- Date page updated: 2018-4-17
- Space group type: C2/c (15) / -C 2yc
- Number of formula units (Z): 12
- Phonon raw data: :download:`mp-17464-20180417.tar.lzma <./mp-17464-20180417.tar.lzma>`
- Link to Materials Project: `https://www.materialsproject.org/materials/mp-17464/ <https://www.materialsproject.org/materials/mp-17464/>`_

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

.. image:: mp-17464-band.png

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

.. image:: mp-17464-dos.png

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

Imaginary modes are excluded if they exist.

.. image:: mp-17464-tprops.png

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

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

::

   lattice:
   - [    12.5224651799999993,     0.0000000000000000,    -0.0055888100000000 ] # a
   - [     0.0000000000000000,     7.2466116300000003,     0.0000000000000000 ] # b
   - [    -4.0890629000000001,     0.0000000000000000,    10.4764559599999991 ] # c
   points:
   - symbol: O  # 1
     coordinates: [  0.5000000000000000,  0.1533211400000000,  0.7500000000000000 ]
     mass: 15.999400
   - symbol: O  # 2
     coordinates: [  0.5000000000000000,  0.8466788600000000,  0.2500000000000000 ]
     mass: 15.999400
   - symbol: O  # 3
     coordinates: [  0.5510142700000000,  0.5613201200000000,  0.9005066400000000 ]
     mass: 15.999400
   - symbol: O  # 4
     coordinates: [  0.4489857300000000,  0.5613201200000000,  0.5994933600000000 ]
     mass: 15.999400
   - symbol: O  # 5
     coordinates: [  0.4489857300000000,  0.4386798800000000,  0.0994933600000000 ]
     mass: 15.999400
   - symbol: O  # 6
     coordinates: [  0.5510142700000000,  0.4386798800000000,  0.4005066400000000 ]
     mass: 15.999400
   - symbol: O  # 7
     coordinates: [  0.6179869800000000,  0.7991212100000000,  0.7487702200000000 ]
     mass: 15.999400
   - symbol: O  # 8
     coordinates: [  0.3820130200000000,  0.7991212100000000,  0.7512297800000000 ]
     mass: 15.999400
   - symbol: O  # 9
     coordinates: [  0.3820130200000000,  0.2008787900000000,  0.2512297800000000 ]
     mass: 15.999400
   - symbol: O  # 10
     coordinates: [  0.6179869800000000,  0.2008787900000000,  0.2487702200000000 ]
     mass: 15.999400
   - symbol: O  # 11
     coordinates: [  0.7280140899999999,  0.0960263500000000,  0.8963598500000000 ]
     mass: 15.999400
   - symbol: O  # 12
     coordinates: [  0.2719859100000000,  0.0960263500000000,  0.6036401500000000 ]
     mass: 15.999400
   - symbol: O  # 13
     coordinates: [  0.6248836400000000,  0.9065842200000001,  0.0941094500000000 ]
     mass: 15.999400
   - symbol: O  # 14
     coordinates: [  0.3751163600000000,  0.9065842200000001,  0.4058905500000000 ]
     mass: 15.999400
   - symbol: O  # 15
     coordinates: [  0.3751163600000000,  0.0934157800000000,  0.9058905500000000 ]
     mass: 15.999400
   - symbol: O  # 16
     coordinates: [  0.6248836400000000,  0.0934157800000000,  0.5941094500000000 ]
     mass: 15.999400
   - symbol: O  # 17
     coordinates: [  0.7280140899999999,  0.9039736500000000,  0.3963598500000000 ]
     mass: 15.999400
   - symbol: O  # 18
     coordinates: [  0.2719859100000000,  0.9039736500000000,  0.1036401500000000 ]
     mass: 15.999400
   - symbol: O  # 19
     coordinates: [  0.0000000000000000,  0.6533211400000000,  0.7500000000000000 ]
     mass: 15.999400
   - symbol: O  # 20
     coordinates: [  0.0000000000000000,  0.3466788600000000,  0.2500000000000000 ]
     mass: 15.999400
   - symbol: O  # 21
     coordinates: [  0.0510142700000000,  0.0613201200000000,  0.9005066400000000 ]
     mass: 15.999400
   - symbol: O  # 22
     coordinates: [  0.9489857300000000,  0.0613201200000000,  0.5994933600000000 ]
     mass: 15.999400
   - symbol: O  # 23
     coordinates: [  0.9489857300000000,  0.9386798800000000,  0.0994933600000000 ]
     mass: 15.999400
   - symbol: O  # 24
     coordinates: [  0.0510142700000000,  0.9386798800000000,  0.4005066400000000 ]
     mass: 15.999400
   - symbol: O  # 25
     coordinates: [  0.1179869800000000,  0.2991212100000000,  0.7487702200000000 ]
     mass: 15.999400
   - symbol: O  # 26
     coordinates: [  0.8820130200000000,  0.2991212100000000,  0.7512297800000000 ]
     mass: 15.999400
   - symbol: O  # 27
     coordinates: [  0.8820130200000000,  0.7008787900000000,  0.2512297800000000 ]
     mass: 15.999400
   - symbol: O  # 28
     coordinates: [  0.1179869800000000,  0.7008787900000000,  0.2487702200000000 ]
     mass: 15.999400
   - symbol: O  # 29
     coordinates: [  0.2280140900000000,  0.5960263500000000,  0.8963598500000000 ]
     mass: 15.999400
   - symbol: O  # 30
     coordinates: [  0.7719859100000001,  0.5960263500000000,  0.6036401500000000 ]
     mass: 15.999400
   - symbol: O  # 31
     coordinates: [  0.1248836400000000,  0.4065842200000000,  0.0941094500000000 ]
     mass: 15.999400
   - symbol: O  # 32
     coordinates: [  0.8751163600000000,  0.4065842200000000,  0.4058905500000000 ]
     mass: 15.999400
   - symbol: O  # 33
     coordinates: [  0.8751163600000000,  0.5934157799999999,  0.9058905500000000 ]
     mass: 15.999400
   - symbol: O  # 34
     coordinates: [  0.1248836400000000,  0.5934157799999999,  0.5941094500000000 ]
     mass: 15.999400
   - symbol: O  # 35
     coordinates: [  0.2280140900000000,  0.4039736500000000,  0.3963598500000000 ]
     mass: 15.999400
   - symbol: O  # 36
     coordinates: [  0.7719859100000001,  0.4039736500000000,  0.1036401500000000 ]
     mass: 15.999400
   - symbol: Ge # 37
     coordinates: [  0.5000000000000000,  0.6553400100000000,  0.7500000000000000 ]
     mass: 72.640000
   - symbol: Ge # 38
     coordinates: [  0.5000000000000000,  0.3446599900000000,  0.2500000000000000 ]
     mass: 72.640000
   - symbol: Ge # 39
     coordinates: [  0.6301927400000000,  0.0480705300000000,  0.7466423000000000 ]
     mass: 72.640000
   - symbol: Ge # 40
     coordinates: [  0.3698072600000000,  0.0480705300000000,  0.7533577000000000 ]
     mass: 72.640000
   - symbol: Ge # 41
     coordinates: [  0.3698072600000000,  0.9519294700000001,  0.2533577000000000 ]
     mass: 72.640000
   - symbol: Ge # 42
     coordinates: [  0.6301927400000000,  0.9519294700000001,  0.2466423000000000 ]
     mass: 72.640000
   - symbol: Ge # 43
     coordinates: [  0.0000000000000000,  0.1553400100000000,  0.7500000000000000 ]
     mass: 72.640000
   - symbol: Ge # 44
     coordinates: [  0.0000000000000000,  0.8446599900000000,  0.2500000000000000 ]
     mass: 72.640000
   - symbol: Ge # 45
     coordinates: [  0.1301927400000000,  0.5480705299999999,  0.7466423000000000 ]
     mass: 72.640000
   - symbol: Ge # 46
     coordinates: [  0.8698072600000000,  0.5480705299999999,  0.7533577000000000 ]
     mass: 72.640000
   - symbol: Ge # 47
     coordinates: [  0.8698072600000000,  0.4519294700000000,  0.2533577000000000 ]
     mass: 72.640000
   - symbol: Ge # 48
     coordinates: [  0.1301927400000000,  0.4519294700000000,  0.2466423000000000 ]
     mass: 72.640000
   - symbol: Sr # 49
     coordinates: [  0.7500000000000000,  0.2500000000000000,  0.5000000000000000 ]
     mass: 87.620000
   - symbol: Sr # 50
     coordinates: [  0.2500000000000000,  0.2500000000000000,  0.0000000000000000 ]
     mass: 87.620000
   - symbol: Sr # 51
     coordinates: [  0.5855398000000001,  0.2556461800000000,  0.9993897300000000 ]
     mass: 87.620000
   - symbol: Sr # 52
     coordinates: [  0.4144602000000000,  0.2556461800000000,  0.5006102700000000 ]
     mass: 87.620000
   - symbol: Sr # 53
     coordinates: [  0.4144602000000000,  0.7443538200000001,  0.0006102700000000 ]
     mass: 87.620000
   - symbol: Sr # 54
     coordinates: [  0.5855398000000001,  0.7443538200000001,  0.4993897300000000 ]
     mass: 87.620000
   - symbol: Sr # 55
     coordinates: [  0.2500000000000000,  0.7500000000000000,  0.5000000000000000 ]
     mass: 87.620000
   - symbol: Sr # 56
     coordinates: [  0.7500000000000000,  0.7500000000000000,  0.0000000000000000 ]
     mass: 87.620000
   - symbol: Sr # 57
     coordinates: [  0.0855398000000000,  0.7556461799999999,  0.9993897300000000 ]
     mass: 87.620000
   - symbol: Sr # 58
     coordinates: [  0.9144601999999999,  0.7556461799999999,  0.5006102700000000 ]
     mass: 87.620000
   - symbol: Sr # 59
     coordinates: [  0.9144601999999999,  0.2443538200000000,  0.0006102700000000 ]
     mass: 87.620000
   - symbol: Sr # 60
     coordinates: [  0.0855398000000000,  0.2443538200000000,  0.4993897300000000 ]
     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
   - 57
   - 58
   - 59
   - 60

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