Materials id 18194 / TbLi(PO3)4 / C2/c (15)
==============================================================================

- Date page updated: 2018-4-17
- Space group type: C2/c (15) / -C 2yc
- Number of formula units (Z): 4
- Phonon raw data: :download:`mp-18194-20180417.tar.lzma <./mp-18194-20180417.tar.lzma>`
- Link to Materials Project: `https://www.materialsproject.org/materials/mp-18194/ <https://www.materialsproject.org/materials/mp-18194/>`_

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

.. image:: mp-18194-band.png

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

.. image:: mp-18194-dos.png

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

Imaginary modes are excluded if they exist.

.. image:: mp-18194-tprops.png

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

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

::

   lattice:
   - [    16.2678319299999998,     0.0000000000000000,     0.0028889600000000 ] # a
   - [     0.0000000000000000,     7.0148337900000000,     0.0000000000000000 ] # b
   - [    -5.6575783599999996,     0.0000000000000000,     7.7461136000000002 ] # c
   points:
   - symbol: Li # 1
     coordinates: [  0.5000000000000000,  0.2070524900000000,  0.2500000000000000 ]
     mass: 6.941000
   - symbol: Li # 2
     coordinates: [  0.5000000000000000,  0.7929475100000000,  0.7500000000000000 ]
     mass: 6.941000
   - symbol: Li # 3
     coordinates: [  0.0000000000000000,  0.7070524900000000,  0.2500000000000000 ]
     mass: 6.941000
   - symbol: Li # 4
     coordinates: [  0.0000000000000000,  0.2929475100000000,  0.7500000000000000 ]
     mass: 6.941000
   - symbol: O  # 5
     coordinates: [  0.6124029200000000,  0.2172047400000000,  0.6824536600000000 ]
     mass: 15.999400
   - symbol: O  # 6
     coordinates: [  0.5641673600000000,  0.9985629900000000,  0.9259948800000000 ]
     mass: 15.999400
   - symbol: O  # 7
     coordinates: [  0.4358326400000000,  0.9985629900000000,  0.5740051200000000 ]
     mass: 15.999400
   - symbol: O  # 8
     coordinates: [  0.4358326400000000,  0.0014370100000000,  0.0740051200000000 ]
     mass: 15.999400
   - symbol: O  # 9
     coordinates: [  0.5641673600000000,  0.0014370100000000,  0.4259948800000000 ]
     mass: 15.999400
   - symbol: O  # 10
     coordinates: [  0.2551495000000000,  0.9237000900000000,  0.3522032100000000 ]
     mass: 15.999400
   - symbol: O  # 11
     coordinates: [  0.2448505000000000,  0.4237000900000000,  0.1477967900000000 ]
     mass: 15.999400
   - symbol: O  # 12
     coordinates: [  0.7448505000000000,  0.0762999100000000,  0.6477967900000000 ]
     mass: 15.999400
   - symbol: O  # 13
     coordinates: [  0.7551495000000000,  0.5762999100000000,  0.8522032100000000 ]
     mass: 15.999400
   - symbol: O  # 14
     coordinates: [  0.1557731200000000,  0.6264304500000000,  0.2344248200000000 ]
     mass: 15.999400
   - symbol: O  # 15
     coordinates: [  0.4301622400000000,  0.4185576900000000,  0.2750552900000000 ]
     mass: 15.999400
   - symbol: O  # 16
     coordinates: [  0.8875970800000000,  0.7172047400000000,  0.8175463400000000 ]
     mass: 15.999400
   - symbol: O  # 17
     coordinates: [  0.3875970800000000,  0.7827952600000000,  0.3175463400000000 ]
     mass: 15.999400
   - symbol: O  # 18
     coordinates: [  0.1124029200000000,  0.2827952600000000,  0.1824536600000000 ]
     mass: 15.999400
   - symbol: O  # 19
     coordinates: [  0.5698377600000000,  0.5814423100000000,  0.7249447100000000 ]
     mass: 15.999400
   - symbol: O  # 20
     coordinates: [  0.4301622400000000,  0.5814423100000000,  0.7750552900000000 ]
     mass: 15.999400
   - symbol: O  # 21
     coordinates: [  0.5698377600000000,  0.4185576900000000,  0.2249447100000000 ]
     mass: 15.999400
   - symbol: O  # 22
     coordinates: [  0.8442268800000000,  0.3735695500000000,  0.7655751800000000 ]
     mass: 15.999400
   - symbol: O  # 23
     coordinates: [  0.6273593700000000,  0.6147665500000000,  0.5248189300000000 ]
     mass: 15.999400
   - symbol: O  # 24
     coordinates: [  0.8726406300000000,  0.1147665500000000,  0.9751810700000000 ]
     mass: 15.999400
   - symbol: O  # 25
     coordinates: [  0.3726406300000000,  0.3852334500000000,  0.4751810700000000 ]
     mass: 15.999400
   - symbol: O  # 26
     coordinates: [  0.1273593700000000,  0.8852334500000000,  0.0248189300000000 ]
     mass: 15.999400
   - symbol: O  # 27
     coordinates: [  0.6557731200000000,  0.8735695500000000,  0.7344248200000000 ]
     mass: 15.999400
   - symbol: O  # 28
     coordinates: [  0.3442268800000000,  0.1264304500000000,  0.2655751800000000 ]
     mass: 15.999400
   - symbol: O  # 29
     coordinates: [  0.1124029200000000,  0.7172047400000000,  0.6824536600000000 ]
     mass: 15.999400
   - symbol: O  # 30
     coordinates: [  0.0641673600000000,  0.4985629900000000,  0.9259948800000000 ]
     mass: 15.999400
   - symbol: O  # 31
     coordinates: [  0.9358326400000000,  0.4985629900000000,  0.5740051200000000 ]
     mass: 15.999400
   - symbol: O  # 32
     coordinates: [  0.9358326400000000,  0.5014370100000000,  0.0740051200000000 ]
     mass: 15.999400
   - symbol: O  # 33
     coordinates: [  0.0641673600000000,  0.5014370100000000,  0.4259948800000000 ]
     mass: 15.999400
   - symbol: O  # 34
     coordinates: [  0.7551495000000000,  0.4237000900000000,  0.3522032100000000 ]
     mass: 15.999400
   - symbol: O  # 35
     coordinates: [  0.7448505000000000,  0.9237000900000000,  0.1477967900000000 ]
     mass: 15.999400
   - symbol: O  # 36
     coordinates: [  0.2448505000000000,  0.5762999100000000,  0.6477967900000000 ]
     mass: 15.999400
   - symbol: O  # 37
     coordinates: [  0.2551495000000000,  0.0762999100000000,  0.8522032100000000 ]
     mass: 15.999400
   - symbol: O  # 38
     coordinates: [  0.6557731200000000,  0.1264304500000000,  0.2344248200000000 ]
     mass: 15.999400
   - symbol: O  # 39
     coordinates: [  0.9301622400000000,  0.9185576900000000,  0.2750552900000000 ]
     mass: 15.999400
   - symbol: O  # 40
     coordinates: [  0.3875970800000000,  0.2172047400000000,  0.8175463400000000 ]
     mass: 15.999400
   - symbol: O  # 41
     coordinates: [  0.8875970800000000,  0.2827952600000000,  0.3175463400000000 ]
     mass: 15.999400
   - symbol: O  # 42
     coordinates: [  0.6124029200000000,  0.7827952600000000,  0.1824536600000000 ]
     mass: 15.999400
   - symbol: O  # 43
     coordinates: [  0.0698377600000000,  0.0814423100000000,  0.7249447100000000 ]
     mass: 15.999400
   - symbol: O  # 44
     coordinates: [  0.9301622400000000,  0.0814423100000000,  0.7750552900000000 ]
     mass: 15.999400
   - symbol: O  # 45
     coordinates: [  0.0698377600000000,  0.9185576900000000,  0.2249447100000000 ]
     mass: 15.999400
   - symbol: O  # 46
     coordinates: [  0.3442268800000000,  0.8735695500000000,  0.7655751800000000 ]
     mass: 15.999400
   - symbol: O  # 47
     coordinates: [  0.1273593700000000,  0.1147665500000000,  0.5248189300000000 ]
     mass: 15.999400
   - symbol: O  # 48
     coordinates: [  0.3726406300000000,  0.6147665500000000,  0.9751810700000000 ]
     mass: 15.999400
   - symbol: O  # 49
     coordinates: [  0.8726406300000000,  0.8852334500000000,  0.4751810700000000 ]
     mass: 15.999400
   - symbol: O  # 50
     coordinates: [  0.6273593700000000,  0.3852334500000000,  0.0248189300000000 ]
     mass: 15.999400
   - symbol: O  # 51
     coordinates: [  0.1557731200000000,  0.3735695500000000,  0.7344248200000000 ]
     mass: 15.999400
   - symbol: O  # 52
     coordinates: [  0.8442268800000000,  0.6264304500000000,  0.2655751800000000 ]
     mass: 15.999400
   - symbol: P  # 53
     coordinates: [  0.1366870300000000,  0.4487251800000000,  0.1147550100000000 ]
     mass: 30.973762
   - symbol: P  # 54
     coordinates: [  0.1456285600000000,  0.8520250400000000,  0.1947331200000000 ]
     mass: 30.973762
   - symbol: P  # 55
     coordinates: [  0.3543714400000000,  0.3520250400000000,  0.3052668800000000 ]
     mass: 30.973762
   - symbol: P  # 56
     coordinates: [  0.8543714400000000,  0.1479749600000000,  0.8052668800000000 ]
     mass: 30.973762
   - symbol: P  # 57
     coordinates: [  0.6456285600000000,  0.6479749600000000,  0.6947331200000000 ]
     mass: 30.973762
   - symbol: P  # 58
     coordinates: [  0.8633129700000000,  0.5512748200000001,  0.8852449900000000 ]
     mass: 30.973762
   - symbol: P  # 59
     coordinates: [  0.3633129700000000,  0.9487251799999999,  0.3852449900000000 ]
     mass: 30.973762
   - symbol: P  # 60
     coordinates: [  0.6366870300000000,  0.0512748200000000,  0.6147550100000000 ]
     mass: 30.973762
   - symbol: P  # 61
     coordinates: [  0.6366870300000000,  0.9487251799999999,  0.1147550100000000 ]
     mass: 30.973762
   - symbol: P  # 62
     coordinates: [  0.6456285600000000,  0.3520250400000000,  0.1947331200000000 ]
     mass: 30.973762
   - symbol: P  # 63
     coordinates: [  0.8543714400000000,  0.8520250400000000,  0.3052668800000000 ]
     mass: 30.973762
   - symbol: P  # 64
     coordinates: [  0.3543714400000000,  0.6479749600000000,  0.8052668800000000 ]
     mass: 30.973762
   - symbol: P  # 65
     coordinates: [  0.1456285600000000,  0.1479749600000000,  0.6947331200000000 ]
     mass: 30.973762
   - symbol: P  # 66
     coordinates: [  0.3633129700000000,  0.0512748200000000,  0.8852449900000000 ]
     mass: 30.973762
   - symbol: P  # 67
     coordinates: [  0.8633129700000000,  0.4487251800000000,  0.3852449900000000 ]
     mass: 30.973762
   - symbol: P  # 68
     coordinates: [  0.1366870300000000,  0.5512748200000001,  0.6147550100000000 ]
     mass: 30.973762
   - symbol: Tb # 69
     coordinates: [  0.5000000000000000,  0.7048080600000000,  0.2500000000000000 ]
     mass: 158.925350
   - symbol: Tb # 70
     coordinates: [  0.5000000000000000,  0.2951919400000000,  0.7500000000000000 ]
     mass: 158.925350
   - symbol: Tb # 71
     coordinates: [  0.0000000000000000,  0.2048080600000000,  0.2500000000000000 ]
     mass: 158.925350
   - symbol: Tb # 72
     coordinates: [  0.0000000000000000,  0.7951919400000000,  0.7500000000000000 ]
     mass: 158.925350
   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
   - 61
   - 62
   - 63
   - 64
   - 65
   - 66
   - 67
   - 68
   - 69
   - 70
   - 71
   - 72

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