Materials id 19992 / La6UO12 / R-3 (148)
==============================================================================

- Date page updated: 2018-4-17
- Space group type: R-3 (148) / -R 3
- Number of formula units (Z): 3
- Phonon raw data: :download:`mp-19992-20180417.tar.lzma <./mp-19992-20180417.tar.lzma>`
- Link to Materials Project: `https://www.materialsproject.org/materials/mp-19992/ <https://www.materialsproject.org/materials/mp-19992/>`_

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

.. image:: mp-19992-band.png

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

.. image:: mp-19992-dos.png

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

Imaginary modes are excluded if they exist.

.. image:: mp-19992-tprops.png

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

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

::

   lattice:
   - [    10.3850270499999997,     0.0000000100000000,     0.0000000000000000 ] # a
   - [    -5.1925135300000003,     8.9936972399999995,     0.0000000000000000 ] # b
   - [     0.0000000000000000,     0.0000000000000000,     9.9037515099999993 ] # c
   points:
   - symbol: O  # 1
     coordinates: [  0.1899870200000000,  0.2258343700000000,  0.4029398900000000 ]
     mass: 15.999400
   - symbol: O  # 2
     coordinates: [  0.0358473400000000,  0.8100129800000000,  0.4029398900000000 ]
     mass: 15.999400
   - symbol: O  # 3
     coordinates: [  0.7741656300000000,  0.9641526600000000,  0.4029398900000000 ]
     mass: 15.999400
   - symbol: O  # 4
     coordinates: [  0.8100129800000000,  0.7741656300000000,  0.5970601100000000 ]
     mass: 15.999400
   - symbol: O  # 5
     coordinates: [  0.9641526600000000,  0.1899870200000000,  0.5970601100000000 ]
     mass: 15.999400
   - symbol: O  # 6
     coordinates: [  0.2258343700000000,  0.0358473400000000,  0.5970601100000000 ]
     mass: 15.999400
   - symbol: O  # 7
     coordinates: [  0.1426129300000000,  0.6259590300000000,  0.5602834600000000 ]
     mass: 15.999400
   - symbol: O  # 8
     coordinates: [  0.6259590300000000,  0.4833461000000000,  0.4397165400000000 ]
     mass: 15.999400
   - symbol: O  # 9
     coordinates: [  0.5166539000000000,  0.1426129300000000,  0.4397165400000000 ]
     mass: 15.999400
   - symbol: O  # 10
     coordinates: [  0.8573870700000000,  0.3740409700000000,  0.4397165400000000 ]
     mass: 15.999400
   - symbol: O  # 11
     coordinates: [  0.3740409700000000,  0.5166539000000000,  0.5602834600000000 ]
     mass: 15.999400
   - symbol: O  # 12
     coordinates: [  0.4833461000000000,  0.8573870700000000,  0.5602834600000000 ]
     mass: 15.999400
   - symbol: O  # 13
     coordinates: [  0.8566536900000000,  0.5591677000000000,  0.7362732200000000 ]
     mass: 15.999400
   - symbol: O  # 14
     coordinates: [  0.7025140000000000,  0.1433463100000000,  0.7362732200000000 ]
     mass: 15.999400
   - symbol: O  # 15
     coordinates: [  0.4408323000000000,  0.2974860000000000,  0.7362732200000000 ]
     mass: 15.999400
   - symbol: O  # 16
     coordinates: [  0.4766796400000000,  0.1074989600000000,  0.9303934400000000 ]
     mass: 15.999400
   - symbol: O  # 17
     coordinates: [  0.6308193300000000,  0.5233203600000000,  0.9303934400000000 ]
     mass: 15.999400
   - symbol: O  # 18
     coordinates: [  0.8925010400000000,  0.3691806700000000,  0.9303934400000000 ]
     mass: 15.999400
   - symbol: O  # 19
     coordinates: [  0.8092796000000000,  0.9592923600000000,  0.8936167900000000 ]
     mass: 15.999400
   - symbol: O  # 20
     coordinates: [  0.2926257000000000,  0.8166794300000000,  0.7730498800000000 ]
     mass: 15.999400
   - symbol: O  # 21
     coordinates: [  0.1833205700000000,  0.4759462700000000,  0.7730498800000000 ]
     mass: 15.999400
   - symbol: O  # 22
     coordinates: [  0.5240537300000000,  0.7073743000000000,  0.7730498800000000 ]
     mass: 15.999400
   - symbol: O  # 23
     coordinates: [  0.0407076400000000,  0.8499872400000000,  0.8936167900000000 ]
     mass: 15.999400
   - symbol: O  # 24
     coordinates: [  0.1500127600000000,  0.1907204000000000,  0.8936167900000000 ]
     mass: 15.999400
   - symbol: O  # 25
     coordinates: [  0.5233203600000000,  0.8925010400000000,  0.0696065600000000 ]
     mass: 15.999400
   - symbol: O  # 26
     coordinates: [  0.3691806700000000,  0.4766796400000000,  0.0696065600000000 ]
     mass: 15.999400
   - symbol: O  # 27
     coordinates: [  0.1074989600000000,  0.6308193300000000,  0.0696065600000000 ]
     mass: 15.999400
   - symbol: O  # 28
     coordinates: [  0.1433463100000000,  0.4408323000000000,  0.2637267800000000 ]
     mass: 15.999400
   - symbol: O  # 29
     coordinates: [  0.2974860000000000,  0.8566536900000000,  0.2637267800000000 ]
     mass: 15.999400
   - symbol: O  # 30
     coordinates: [  0.5591677000000000,  0.7025140000000000,  0.2637267800000000 ]
     mass: 15.999400
   - symbol: O  # 31
     coordinates: [  0.4759462700000000,  0.2926257000000000,  0.2269501200000000 ]
     mass: 15.999400
   - symbol: O  # 32
     coordinates: [  0.9592923600000000,  0.1500127600000000,  0.1063832100000000 ]
     mass: 15.999400
   - symbol: O  # 33
     coordinates: [  0.8499872400000000,  0.8092796000000000,  0.1063832100000000 ]
     mass: 15.999400
   - symbol: O  # 34
     coordinates: [  0.1907204000000000,  0.0407076400000000,  0.1063832100000000 ]
     mass: 15.999400
   - symbol: O  # 35
     coordinates: [  0.7073743000000000,  0.1833205700000000,  0.2269501200000000 ]
     mass: 15.999400
   - symbol: O  # 36
     coordinates: [  0.8166794300000000,  0.5240537300000000,  0.2269501200000000 ]
     mass: 15.999400
   - symbol: La # 37
     coordinates: [  0.2096834800000000,  0.2536242700000000,  0.6463976200000000 ]
     mass: 138.905470
   - symbol: La # 38
     coordinates: [  0.0439407900000000,  0.7903165200000000,  0.6463976200000000 ]
     mass: 138.905470
   - symbol: La # 39
     coordinates: [  0.7463757300000000,  0.9560592100000000,  0.6463976200000000 ]
     mass: 138.905470
   - symbol: La # 40
     coordinates: [  0.7903165200000000,  0.7463757300000000,  0.3536023800000000 ]
     mass: 138.905470
   - symbol: La # 41
     coordinates: [  0.9560592100000000,  0.2096834800000000,  0.3536023800000000 ]
     mass: 138.905470
   - symbol: La # 42
     coordinates: [  0.2536242700000000,  0.0439407900000000,  0.3536023800000000 ]
     mass: 138.905470
   - symbol: La # 43
     coordinates: [  0.8763501500000000,  0.5869576100000000,  0.9797309600000000 ]
     mass: 138.905470
   - symbol: La # 44
     coordinates: [  0.7106074600000000,  0.1236498500000000,  0.9797309600000000 ]
     mass: 138.905470
   - symbol: La # 45
     coordinates: [  0.4130423900000000,  0.2893925400000000,  0.9797309600000000 ]
     mass: 138.905470
   - symbol: La # 46
     coordinates: [  0.4569831900000000,  0.0797090600000000,  0.6869357100000000 ]
     mass: 138.905470
   - symbol: La # 47
     coordinates: [  0.6227258800000000,  0.5430168100000000,  0.6869357100000000 ]
     mass: 138.905470
   - symbol: La # 48
     coordinates: [  0.9202909400000000,  0.3772741200000000,  0.6869357100000000 ]
     mass: 138.905470
   - symbol: La # 49
     coordinates: [  0.5430168100000000,  0.9202909400000000,  0.3130642900000000 ]
     mass: 138.905470
   - symbol: La # 50
     coordinates: [  0.3772741200000000,  0.4569831900000000,  0.3130642900000000 ]
     mass: 138.905470
   - symbol: La # 51
     coordinates: [  0.0797090600000000,  0.6227258800000000,  0.3130642900000000 ]
     mass: 138.905470
   - symbol: La # 52
     coordinates: [  0.1236498500000000,  0.4130423900000000,  0.0202690400000000 ]
     mass: 138.905470
   - symbol: La # 53
     coordinates: [  0.2893925400000000,  0.8763501500000000,  0.0202690400000000 ]
     mass: 138.905470
   - symbol: La # 54
     coordinates: [  0.5869576100000000,  0.7106074600000000,  0.0202690400000000 ]
     mass: 138.905470
   - symbol: U  # 55
     coordinates: [  0.0000000000000000,  0.0000000000000000,  0.0000000000000000 ]
     mass: 238.028910
   - symbol: U  # 56
     coordinates: [  0.6666666700000000,  0.3333333300000000,  0.3333333300000000 ]
     mass: 238.028910
   - symbol: U  # 57
     coordinates: [  0.3333333300000000,  0.6666666700000000,  0.6666666700000000 ]
     mass: 238.028910
   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

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