Materials id 12450 / LiNd2OsO6 / P2_1/c (14)
==============================================================================

- Date page updated: 2018-4-17
- Space group type: P2_1/c (14) / -P 2ybc
- Number of formula units (Z): 2
- Phonon raw data: :download:`mp-12450-20180417.tar.lzma <./mp-12450-20180417.tar.lzma>`
- Link to Materials Project: `https://www.materialsproject.org/materials/mp-12450/ <https://www.materialsproject.org/materials/mp-12450/>`_

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

.. image:: mp-12450-band.png

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

.. image:: mp-12450-dos.png

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

Imaginary modes are excluded if they exist.

.. image:: mp-12450-tprops.png

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

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

::

   lattice:
   - [     5.3608485300000002,     0.0000000000000000,     0.0056196100000000 ] # a
   - [     0.0000000000000000,     5.7407451700000003,     0.0000000000000000 ] # b
   - [    -5.2739217299999996,     0.0000000000000000,     7.6515348300000001 ] # c
   points:
   - symbol: Li # 1
     coordinates: [ -0.0000000000000000,  0.0000000000000000, -0.0000000000000000 ]
     mass: 6.941000
   - symbol: Li # 2
     coordinates: [ -0.0000000000000000,  0.5000000000000000,  0.5000000000000000 ]
     mass: 6.941000
   - symbol: O  # 3
     coordinates: [  0.7319917200000000,  0.7112224500000000,  0.5501990300000000 ]
     mass: 15.999400
   - symbol: O  # 4
     coordinates: [  0.2680082800000000,  0.2112224500000000,  0.9498009700000000 ]
     mass: 15.999400
   - symbol: O  # 5
     coordinates: [  0.2680082800000000,  0.2887775500000000,  0.4498009700000000 ]
     mass: 15.999400
   - symbol: O  # 6
     coordinates: [  0.7319917200000000,  0.7887775500000000,  0.0501990300000000 ]
     mass: 15.999400
   - symbol: O  # 7
     coordinates: [  0.3447091000000000,  0.9765878500000000,  0.2523489500000000 ]
     mass: 15.999400
   - symbol: O  # 8
     coordinates: [  0.6552909000000000,  0.4765878500000000,  0.2476510500000000 ]
     mass: 15.999400
   - symbol: O  # 9
     coordinates: [  0.1543316700000000,  0.6905146900000000,  0.9548093000000000 ]
     mass: 15.999400
   - symbol: O  # 10
     coordinates: [  0.8456683300000000,  0.1905146900000000,  0.5451907000000000 ]
     mass: 15.999400
   - symbol: O  # 11
     coordinates: [  0.8456683300000000,  0.3094853100000000,  0.0451907000000000 ]
     mass: 15.999400
   - symbol: O  # 12
     coordinates: [  0.1543316700000000,  0.8094853100000000,  0.4548093000000000 ]
     mass: 15.999400
   - symbol: O  # 13
     coordinates: [  0.3447091000000000,  0.5234121500000000,  0.7523489500000000 ]
     mass: 15.999400
   - symbol: O  # 14
     coordinates: [  0.6552909000000000,  0.0234121500000000,  0.7476510500000000 ]
     mass: 15.999400
   - symbol: Nd # 15
     coordinates: [  0.2291831200000000,  0.9266967800000000,  0.7478839600000000 ]
     mass: 144.242000
   - symbol: Nd # 16
     coordinates: [  0.7708168800000000,  0.4266967800000000,  0.7521160400000000 ]
     mass: 144.242000
   - symbol: Nd # 17
     coordinates: [  0.2291831200000000,  0.5733032200000000,  0.2478839600000000 ]
     mass: 144.242000
   - symbol: Nd # 18
     coordinates: [  0.7708168800000000,  0.0733032200000000,  0.2521160400000000 ]
     mass: 144.242000
   - symbol: Os # 19
     coordinates: [  0.5000000000000000,  0.5000000000000000, -0.0000000000000000 ]
     mass: 190.230000
   - symbol: Os # 20
     coordinates: [  0.5000000000000000,  0.0000000000000000,  0.5000000000000000 ]
     mass: 190.230000
   poscar_order:
   - 1
   - 2
   - 3
   - 4
   - 5
   - 6
   - 7
   - 8
   - 9
   - 10
   - 11
   - 12
   - 13
   - 14
   - 15
   - 16
   - 17
   - 18
   - 19
   - 20

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