Materials id 17160 / DyPtF7 / 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-17160-20180417.tar.lzma <./mp-17160-20180417.tar.lzma>`
- Link to Materials Project: `https://www.materialsproject.org/materials/mp-17160/ <https://www.materialsproject.org/materials/mp-17160/>`_

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

.. image:: mp-17160-band.png

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

.. image:: mp-17160-dos.png

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

Imaginary modes are excluded if they exist.

.. image:: mp-17160-tprops.png

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

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

::

   lattice:
   - [     8.7654186599999999,     0.0000000000000000,    -0.0126965200000000 ] # a
   - [     0.0000000000000000,     5.4389655000000001,     0.0000000000000000 ] # b
   - [    -5.4908161499999997,     0.0000000000000000,    10.4649332800000003 ] # c
   points:
   - symbol: F  # 1
     coordinates: [  0.2949875300000000,  0.5629873600000000,  0.9134318800000000 ]
     mass: 18.998403
   - symbol: F  # 2
     coordinates: [  0.7050124700000000,  0.0629873600000000,  0.5865681200000000 ]
     mass: 18.998403
   - symbol: F  # 3
     coordinates: [  0.7050124700000000,  0.4370126400000000,  0.0865681200000000 ]
     mass: 18.998403
   - symbol: F  # 4
     coordinates: [  0.2949875300000000,  0.9370126400000000,  0.4134318800000000 ]
     mass: 18.998403
   - symbol: F  # 5
     coordinates: [  0.7227533300000000,  0.5615957600000000,  0.5423392800000000 ]
     mass: 18.998403
   - symbol: F  # 6
     coordinates: [  0.2772466700000000,  0.0615957600000000,  0.9576607200000000 ]
     mass: 18.998403
   - symbol: F  # 7
     coordinates: [  0.2772466700000000,  0.4384042400000000,  0.4576607200000000 ]
     mass: 18.998403
   - symbol: F  # 8
     coordinates: [  0.7227533300000000,  0.9384042400000000,  0.0423392800000000 ]
     mass: 18.998403
   - symbol: F  # 9
     coordinates: [  0.4785596700000000,  0.2274054200000000,  0.8592667300000000 ]
     mass: 18.998403
   - symbol: F  # 10
     coordinates: [  0.5214403300000000,  0.7274054200000000,  0.6407332700000000 ]
     mass: 18.998403
   - symbol: F  # 11
     coordinates: [  0.5214403300000000,  0.7725945800000000,  0.1407332700000000 ]
     mass: 18.998403
   - symbol: F  # 12
     coordinates: [  0.4785596700000000,  0.2725945800000000,  0.3592667300000000 ]
     mass: 18.998403
   - symbol: F  # 13
     coordinates: [  0.9778972800000000,  0.2458756400000000,  0.0510366600000000 ]
     mass: 18.998403
   - symbol: F  # 14
     coordinates: [  0.0221027200000000,  0.7458756400000000,  0.4489633400000000 ]
     mass: 18.998403
   - symbol: F  # 15
     coordinates: [  0.0221027200000000,  0.7541243600000000,  0.9489633400000000 ]
     mass: 18.998403
   - symbol: F  # 16
     coordinates: [  0.9778972800000000,  0.2541243600000000,  0.5510366600000000 ]
     mass: 18.998403
   - symbol: F  # 17
     coordinates: [  0.2752111800000000,  0.0389261300000000,  0.6349536099999999 ]
     mass: 18.998403
   - symbol: F  # 18
     coordinates: [  0.7247888200000000,  0.5389261300000000,  0.8650463900000001 ]
     mass: 18.998403
   - symbol: F  # 19
     coordinates: [  0.7247888200000000,  0.9610738700000000,  0.3650463900000000 ]
     mass: 18.998403
   - symbol: F  # 20
     coordinates: [  0.2752111800000000,  0.4610738700000000,  0.1349536100000000 ]
     mass: 18.998403
   - symbol: F  # 21
     coordinates: [  0.2549485400000000,  0.9455574700000000,  0.1757718300000000 ]
     mass: 18.998403
   - symbol: F  # 22
     coordinates: [  0.7450514600000000,  0.4455574700000000,  0.3242281700000000 ]
     mass: 18.998403
   - symbol: F  # 23
     coordinates: [  0.7450514600000000,  0.0544425300000000,  0.8242281700000000 ]
     mass: 18.998403
   - symbol: F  # 24
     coordinates: [  0.2549485400000000,  0.5544425300000000,  0.6757718300000000 ]
     mass: 18.998403
   - symbol: F  # 25
     coordinates: [  0.0329524300000000,  0.5910657200000000,  0.2321460800000000 ]
     mass: 18.998403
   - symbol: F  # 26
     coordinates: [  0.9670475700000000,  0.0910657200000000,  0.2678539200000000 ]
     mass: 18.998403
   - symbol: F  # 27
     coordinates: [  0.9670475700000000,  0.4089342800000000,  0.7678539200000000 ]
     mass: 18.998403
   - symbol: F  # 28
     coordinates: [  0.0329524300000000,  0.9089342800000000,  0.7321460800000000 ]
     mass: 18.998403
   - symbol: Dy # 29
     coordinates: [  0.1862607700000000,  0.2393467300000000,  0.7642148100000000 ]
     mass: 162.500000
   - symbol: Dy # 30
     coordinates: [  0.8137392300000000,  0.7393467300000000,  0.7357851900000000 ]
     mass: 162.500000
   - symbol: Dy # 31
     coordinates: [  0.8137392300000000,  0.7606532700000000,  0.2357851900000000 ]
     mass: 162.500000
   - symbol: Dy # 32
     coordinates: [  0.1862607700000000,  0.2606532700000000,  0.2642148100000000 ]
     mass: 162.500000
   - symbol: Pt # 33
     coordinates: [  0.7281476200000000,  0.2425900900000000,  0.9575908800000000 ]
     mass: 195.084000
   - symbol: Pt # 34
     coordinates: [  0.2718523800000000,  0.7425900900000000,  0.5424091200000000 ]
     mass: 195.084000
   - symbol: Pt # 35
     coordinates: [  0.2718523800000000,  0.7574099100000000,  0.0424091200000000 ]
     mass: 195.084000
   - symbol: Pt # 36
     coordinates: [  0.7281476200000000,  0.2574099100000000,  0.4575908800000000 ]
     mass: 195.084000
   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

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