Materials id 1154 / Ho4C7 / 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-1154-20180417.tar.lzma <./mp-1154-20180417.tar.lzma>`
- Link to Materials Project: `https://www.materialsproject.org/materials/mp-1154/ <https://www.materialsproject.org/materials/mp-1154/>`_

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

.. image:: mp-1154-band.png

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

.. image:: mp-1154-dos.png

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

Imaginary modes are excluded if they exist.

.. image:: mp-1154-tprops.png

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

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

::

   lattice:
   - [     3.6381970799999999,     0.0000000000000000,    -0.0051995400000000 ] # a
   - [     0.0000000000000000,    12.3561964199999998,     0.0000000000000000 ] # b
   - [    -2.0770311299999999,     0.0000000000000000,    13.4615507200000000 ] # c
   points:
   - symbol: C  # 1
     coordinates: [  0.2042520400000000,  0.8825731700000000,  0.9498844600000000 ]
     mass: 12.010700
   - symbol: C  # 2
     coordinates: [  0.7957479600000000,  0.3825731700000000,  0.5501155400000000 ]
     mass: 12.010700
   - symbol: C  # 3
     coordinates: [  0.7957479600000000,  0.1174268300000000,  0.0501155400000000 ]
     mass: 12.010700
   - symbol: C  # 4
     coordinates: [  0.2042520400000000,  0.6174268300000000,  0.4498844600000000 ]
     mass: 12.010700
   - symbol: C  # 5
     coordinates: [  0.1599803700000000,  0.3622646100000000,  0.3241405000000000 ]
     mass: 12.010700
   - symbol: C  # 6
     coordinates: [  0.8400196300000000,  0.8622646100000000,  0.1758595000000000 ]
     mass: 12.010700
   - symbol: C  # 7
     coordinates: [  0.8400196300000000,  0.6377353900000000,  0.6758594999999999 ]
     mass: 12.010700
   - symbol: C  # 8
     coordinates: [  0.1599803700000000,  0.1377353900000000,  0.8241405000000001 ]
     mass: 12.010700
   - symbol: C  # 9
     coordinates: [  0.7598867300000000,  0.1113147700000000,  0.4540034500000000 ]
     mass: 12.010700
   - symbol: C  # 10
     coordinates: [  0.2401132700000000,  0.6113147700000000,  0.0459965500000000 ]
     mass: 12.010700
   - symbol: C  # 11
     coordinates: [  0.2401132700000000,  0.8886852300000000,  0.5459965500000000 ]
     mass: 12.010700
   - symbol: C  # 12
     coordinates: [  0.7598867300000000,  0.3886852300000000,  0.9540034500000000 ]
     mass: 12.010700
   - symbol: C  # 13
     coordinates: [  0.4135766400000000,  0.0829867200000000,  0.2701611400000000 ]
     mass: 12.010700
   - symbol: C  # 14
     coordinates: [  0.5864233599999999,  0.5829867200000000,  0.2298388600000000 ]
     mass: 12.010700
   - symbol: C  # 15
     coordinates: [  0.5864233599999999,  0.9170132800000000,  0.7298388600000000 ]
     mass: 12.010700
   - symbol: C  # 16
     coordinates: [  0.4135766400000000,  0.4170132800000000,  0.7701611400000000 ]
     mass: 12.010700
   - symbol: C  # 17
     coordinates: [  0.3802799100000000,  0.3282496200000000,  0.1509619800000000 ]
     mass: 12.010700
   - symbol: C  # 18
     coordinates: [  0.6197200899999999,  0.8282496200000000,  0.3490380200000000 ]
     mass: 12.010700
   - symbol: C  # 19
     coordinates: [  0.6197200899999999,  0.6717503800000000,  0.8490380199999999 ]
     mass: 12.010700
   - symbol: C  # 20
     coordinates: [  0.3802799100000000,  0.1717503800000000,  0.6509619800000001 ]
     mass: 12.010700
   - symbol: C  # 21
     coordinates: [  0.5883427300000000,  0.1055404100000000,  0.3610133500000000 ]
     mass: 12.010700
   - symbol: C  # 22
     coordinates: [  0.4116572700000000,  0.6055404100000000,  0.1389866500000000 ]
     mass: 12.010700
   - symbol: C  # 23
     coordinates: [  0.4116572700000000,  0.8944595900000000,  0.6389866500000000 ]
     mass: 12.010700
   - symbol: C  # 24
     coordinates: [  0.5883427300000000,  0.3944595900000000,  0.8610133500000000 ]
     mass: 12.010700
   - symbol: C  # 25
     coordinates: [  0.3098513800000000,  0.3495413300000000,  0.2432090600000000 ]
     mass: 12.010700
   - symbol: C  # 26
     coordinates: [  0.6901486200000000,  0.8495413300000000,  0.2567909400000000 ]
     mass: 12.010700
   - symbol: C  # 27
     coordinates: [  0.6901486200000000,  0.6504586700000000,  0.7567909400000000 ]
     mass: 12.010700
   - symbol: C  # 28
     coordinates: [  0.3098513800000000,  0.1504586700000000,  0.7432090600000000 ]
     mass: 12.010700
   - symbol: Ho # 29
     coordinates: [  0.3007974900000000,  0.9847338700000000,  0.1072322000000000 ]
     mass: 164.930320
   - symbol: Ho # 30
     coordinates: [  0.6992025100000000,  0.4847338700000000,  0.3927678000000000 ]
     mass: 164.930320
   - symbol: Ho # 31
     coordinates: [  0.6992025100000000,  0.0152661300000000,  0.8927678000000000 ]
     mass: 164.930320
   - symbol: Ho # 32
     coordinates: [  0.3007974900000000,  0.5152661300000000,  0.6072322000000000 ]
     mass: 164.930320
   - symbol: Ho # 33
     coordinates: [  0.1186887900000000,  0.9617235800000000,  0.3802487900000000 ]
     mass: 164.930320
   - symbol: Ho # 34
     coordinates: [  0.8813112100000000,  0.4617235800000000,  0.1197512100000000 ]
     mass: 164.930320
   - symbol: Ho # 35
     coordinates: [  0.8813112100000000,  0.0382764200000000,  0.6197512100000000 ]
     mass: 164.930320
   - symbol: Ho # 36
     coordinates: [  0.1186887900000000,  0.5382764200000000,  0.8802487900000000 ]
     mass: 164.930320
   - symbol: Ho # 37
     coordinates: [  0.8716289000000000,  0.1960615800000000,  0.2102600500000000 ]
     mass: 164.930320
   - symbol: Ho # 38
     coordinates: [  0.1283711000000000,  0.6960615800000000,  0.2897399500000000 ]
     mass: 164.930320
   - symbol: Ho # 39
     coordinates: [  0.1283711000000000,  0.8039384200000000,  0.7897399500000000 ]
     mass: 164.930320
   - symbol: Ho # 40
     coordinates: [  0.8716289000000000,  0.3039384200000000,  0.7102600500000000 ]
     mass: 164.930320
   - symbol: Ho # 41
     coordinates: [  0.2661974300000000,  0.2386402200000000,  0.9924295400000001 ]
     mass: 164.930320
   - symbol: Ho # 42
     coordinates: [  0.7338025700000000,  0.7386402200000000,  0.5075704599999999 ]
     mass: 164.930320
   - symbol: Ho # 43
     coordinates: [  0.7338025700000000,  0.7613597800000000,  0.0075704600000000 ]
     mass: 164.930320
   - symbol: Ho # 44
     coordinates: [  0.2661974300000000,  0.2613597800000000,  0.4924295400000000 ]
     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
   - 33
   - 34
   - 35
   - 36
   - 37
   - 38
   - 39
   - 40
   - 41
   - 42
   - 43
   - 44

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