Materials id 17065 / Ho2SiO5 / P2_1/c (14)
==============================================================================

- Date page updated: 2018-4-17
- Space group type: P2_1/c (14) / -P 2ybc
- Number of formula units (Z): 4
- Phonon raw data: :download:`mp-17065-20180417.tar.lzma <./mp-17065-20180417.tar.lzma>`
- Link to Materials Project: `https://www.materialsproject.org/materials/mp-17065/ <https://www.materialsproject.org/materials/mp-17065/>`_

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

.. image:: mp-17065-band.png

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

.. image:: mp-17065-dos.png

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

Imaginary modes are excluded if they exist.

.. image:: mp-17065-tprops.png

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

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

::

   lattice:
   - [     8.9908467999999999,     0.0000000000000000,    -0.0237705600000000 ] # a
   - [     0.0000000000000000,     6.7836212199999997,     0.0000000000000000 ] # b
   - [    -1.7580702500000001,     0.0000000000000000,     6.3967910200000002 ] # c
   points:
   - symbol: O  # 1
     coordinates: [  0.1136899100000000,  0.1180960700000000,  0.4383061700000000 ]
     mass: 15.999400
   - symbol: O  # 2
     coordinates: [  0.8863100900000001,  0.6180960700000000,  0.0616938300000000 ]
     mass: 15.999400
   - symbol: O  # 3
     coordinates: [  0.8863100900000001,  0.8819039300000000,  0.5616938299999999 ]
     mass: 15.999400
   - symbol: O  # 4
     coordinates: [  0.1136899100000000,  0.3819039300000000,  0.9383061700000001 ]
     mass: 15.999400
   - symbol: O  # 5
     coordinates: [  0.3949035300000000,  0.7119206400000000,  0.0159678800000000 ]
     mass: 15.999400
   - symbol: O  # 6
     coordinates: [  0.6050964700000000,  0.2119206400000000,  0.4840321200000000 ]
     mass: 15.999400
   - symbol: O  # 7
     coordinates: [  0.6050964700000000,  0.2880793600000000,  0.9840321200000000 ]
     mass: 15.999400
   - symbol: O  # 8
     coordinates: [  0.3949035300000000,  0.7880793600000000,  0.5159678800000000 ]
     mass: 15.999400
   - symbol: O  # 9
     coordinates: [  0.1125833900000000,  0.8639466700000000,  0.9896468200000000 ]
     mass: 15.999400
   - symbol: O  # 10
     coordinates: [  0.8874166100000001,  0.3639466700000000,  0.5103531800000000 ]
     mass: 15.999400
   - symbol: O  # 11
     coordinates: [  0.8874166100000001,  0.1360533300000000,  0.0103531800000000 ]
     mass: 15.999400
   - symbol: O  # 12
     coordinates: [  0.1125833900000000,  0.6360533300000000,  0.4896468200000000 ]
     mass: 15.999400
   - symbol: O  # 13
     coordinates: [  0.2908505700000000,  0.4271740500000000,  0.3345104900000000 ]
     mass: 15.999400
   - symbol: O  # 14
     coordinates: [  0.7091494300000000,  0.9271740500000000,  0.1654895100000000 ]
     mass: 15.999400
   - symbol: O  # 15
     coordinates: [  0.7091494300000000,  0.5728259500000000,  0.6654895100000000 ]
     mass: 15.999400
   - symbol: O  # 16
     coordinates: [  0.2908505700000000,  0.0728259500000000,  0.8345104900000000 ]
     mass: 15.999400
   - symbol: O  # 17
     coordinates: [  0.3758121000000000,  0.4472288000000000,  0.7234121000000000 ]
     mass: 15.999400
   - symbol: O  # 18
     coordinates: [  0.6241879000000000,  0.9472288000000000,  0.7765879000000000 ]
     mass: 15.999400
   - symbol: O  # 19
     coordinates: [  0.6241879000000000,  0.5527712000000000,  0.2765879000000000 ]
     mass: 15.999400
   - symbol: O  # 20
     coordinates: [  0.3758121000000000,  0.0527712000000000,  0.2234121000000000 ]
     mass: 15.999400
   - symbol: Si # 21
     coordinates: [  0.2991675100000000,  0.9097484100000000,  0.0247282700000000 ]
     mass: 28.085500
   - symbol: Si # 22
     coordinates: [  0.7008324900000000,  0.4097484100000000,  0.4752717300000000 ]
     mass: 28.085500
   - symbol: Si # 23
     coordinates: [  0.7008324900000000,  0.0902515900000000,  0.9752717300000000 ]
     mass: 28.085500
   - symbol: Si # 24
     coordinates: [  0.2991675100000000,  0.5902515900000000,  0.5247282700000000 ]
     mass: 28.085500
   - symbol: Ho # 25
     coordinates: [  0.9709406400000000,  0.8751369800000000,  0.2680605800000000 ]
     mass: 164.930320
   - symbol: Ho # 26
     coordinates: [  0.0290593600000000,  0.3751369800000000,  0.2319394200000000 ]
     mass: 164.930320
   - symbol: Ho # 27
     coordinates: [  0.0290593600000000,  0.1248630200000000,  0.7319394200000000 ]
     mass: 164.930320
   - symbol: Ho # 28
     coordinates: [  0.9709406400000000,  0.6248630200000000,  0.7680605800000000 ]
     mass: 164.930320
   - symbol: Ho # 29
     coordinates: [  0.3727717600000000,  0.3607875600000000,  0.0538105900000000 ]
     mass: 164.930320
   - symbol: Ho # 30
     coordinates: [  0.6272282400000000,  0.8607875600000000,  0.4461894100000000 ]
     mass: 164.930320
   - symbol: Ho # 31
     coordinates: [  0.6272282400000000,  0.6392124400000000,  0.9461894100000000 ]
     mass: 164.930320
   - symbol: Ho # 32
     coordinates: [  0.3727717600000000,  0.1392124400000000,  0.5538105900000000 ]
     mass: 164.930320
   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

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