Materials id 6388 / Ca4SmB3O10 / Cm (8)
==============================================================================

- Date page updated: 2018-4-17
- Space group type: Cm (8) / C -2y
- Number of formula units (Z): 2
- Phonon raw data: :download:`mp-6388-20180417.tar.lzma <./mp-6388-20180417.tar.lzma>`
- Link to Materials Project: `https://www.materialsproject.org/materials/mp-6388/ <https://www.materialsproject.org/materials/mp-6388/>`_

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

.. image:: mp-6388-band.png

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

.. image:: mp-6388-dos.png

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

Imaginary modes are excluded if they exist.

.. image:: mp-6388-tprops.png

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

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

::

   lattice:
   - [     8.0613127000000002,     0.0000000000000000,     0.0065013300000000 ] # a
   - [     0.0000000000000000,    15.9240615000000005,     0.0000000000000000 ] # b
   - [    -0.6962918600000000,     0.0000000000000000,     3.4831566100000000 ] # c
   points:
   - symbol: B  # 1
     coordinates: [  0.0475481000000000,  0.8056174200000000,  0.9142631600000000 ]
     mass: 10.811000
   - symbol: B  # 2
     coordinates: [  0.5475481000000000,  0.6943825800000000,  0.9142631600000000 ]
     mass: 10.811000
   - symbol: B  # 3
     coordinates: [  0.6231193600000000,  0.0000000000000000,  0.2971585200000000 ]
     mass: 10.811000
   - symbol: B  # 4
     coordinates: [  0.5475481000000000,  0.3056174200000000,  0.9142631600000000 ]
     mass: 10.811000
   - symbol: B  # 5
     coordinates: [  0.0475481000000000,  0.1943825800000000,  0.9142631600000000 ]
     mass: 10.811000
   - symbol: B  # 6
     coordinates: [  0.1231193600000000,  0.5000000000000000,  0.2971585200000000 ]
     mass: 10.811000
   - symbol: O  # 7
     coordinates: [  0.7981804200000000,  0.0000000000000000,  0.3962387700000000 ]
     mass: 15.999400
   - symbol: O  # 8
     coordinates: [  0.0365519300000000,  0.5754194200000000,  0.2477656000000000 ]
     mass: 15.999400
   - symbol: O  # 9
     coordinates: [  0.1767430500000000,  0.0000000000000000,  0.5806430000000000 ]
     mass: 15.999400
   - symbol: O  # 10
     coordinates: [  0.9074004200000000,  0.8567878100000000,  0.9149102900000000 ]
     mass: 15.999400
   - symbol: O  # 11
     coordinates: [  0.4074004200000000,  0.6432121900000000,  0.9149102900000000 ]
     mass: 15.999400
   - symbol: O  # 12
     coordinates: [  0.5311039800000000,  0.7696110000000000,  0.7181311300000000 ]
     mass: 15.999400
   - symbol: O  # 13
     coordinates: [  0.0311039800000000,  0.7303890000000000,  0.7181311300000000 ]
     mass: 15.999400
   - symbol: O  # 14
     coordinates: [  0.7050932300000000,  0.6706597300000000,  0.1143969100000000 ]
     mass: 15.999400
   - symbol: O  # 15
     coordinates: [  0.2050932300000000,  0.8293402700000000,  0.1143969100000000 ]
     mass: 15.999400
   - symbol: O  # 16
     coordinates: [  0.5365519300000000,  0.9245805800000000,  0.2477656000000000 ]
     mass: 15.999400
   - symbol: O  # 17
     coordinates: [  0.2981804200000000,  0.5000000000000000,  0.3962387700000000 ]
     mass: 15.999400
   - symbol: O  # 18
     coordinates: [  0.5365519300000000,  0.0754194200000000,  0.2477656000000000 ]
     mass: 15.999400
   - symbol: O  # 19
     coordinates: [  0.6767430500000000,  0.5000000000000000,  0.5806430000000000 ]
     mass: 15.999400
   - symbol: O  # 20
     coordinates: [  0.4074004200000000,  0.3567878100000000,  0.9149102900000000 ]
     mass: 15.999400
   - symbol: O  # 21
     coordinates: [  0.9074004200000000,  0.1432121900000000,  0.9149102900000000 ]
     mass: 15.999400
   - symbol: O  # 22
     coordinates: [  0.0311039800000000,  0.2696110000000000,  0.7181311300000000 ]
     mass: 15.999400
   - symbol: O  # 23
     coordinates: [  0.5311039800000000,  0.2303890000000000,  0.7181311300000000 ]
     mass: 15.999400
   - symbol: O  # 24
     coordinates: [  0.2050932300000000,  0.1706597300000000,  0.1143969100000000 ]
     mass: 15.999400
   - symbol: O  # 25
     coordinates: [  0.7050932300000000,  0.3293402700000000,  0.1143969100000000 ]
     mass: 15.999400
   - symbol: O  # 26
     coordinates: [  0.0365519300000000,  0.4245805800000000,  0.2477656000000000 ]
     mass: 15.999400
   - symbol: Ca # 27
     coordinates: [  0.2336426800000000,  0.6823465399999999,  0.3387767300000000 ]
     mass: 40.078000
   - symbol: Ca # 28
     coordinates: [  0.7336426800000000,  0.8176534600000001,  0.3387767300000000 ]
     mass: 40.078000
   - symbol: Ca # 29
     coordinates: [  0.3581888300000000,  0.8871474499999999,  0.6704417300000000 ]
     mass: 40.078000
   - symbol: Ca # 30
     coordinates: [  0.8581888300000000,  0.6128525500000001,  0.6704417300000000 ]
     mass: 40.078000
   - symbol: Ca # 31
     coordinates: [  0.7336426800000000,  0.1823465400000000,  0.3387767300000000 ]
     mass: 40.078000
   - symbol: Ca # 32
     coordinates: [  0.2336426800000000,  0.3176534600000000,  0.3387767300000000 ]
     mass: 40.078000
   - symbol: Ca # 33
     coordinates: [  0.8581888300000000,  0.3871474500000000,  0.6704417300000000 ]
     mass: 40.078000
   - symbol: Ca # 34
     coordinates: [  0.3581888300000000,  0.1128525500000000,  0.6704417300000000 ]
     mass: 40.078000
   - symbol: Sm # 35
     coordinates: [  0.0007988200000000,  0.0000000000000000,  0.0005086000000000 ]
     mass: 150.360000
   - symbol: Sm # 36
     coordinates: [  0.5007988200000000,  0.5000000000000000,  0.0005086000000000 ]
     mass: 150.360000
   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

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