Materials id 24638 / Mg3P2(HO)16 / C2/m (12)
==============================================================================

- Date page updated: 2018-4-17
- Space group type: C2/m (12) / -C 2y
- Number of formula units (Z): 2
- Phonon raw data: :download:`mp-24638-20180417.tar.lzma <./mp-24638-20180417.tar.lzma>`
- Link to Materials Project: `https://www.materialsproject.org/materials/mp-24638/ <https://www.materialsproject.org/materials/mp-24638/>`_

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

.. image:: mp-24638-band.png

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

.. image:: mp-24638-dos.png

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

Imaginary modes are excluded if they exist.

.. image:: mp-24638-tprops.png

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

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

::

   lattice:
   - [    10.0494244300000002,     0.0000000000000000,    -0.0129375800000000 ] # a
   - [     0.0000000000000000,    12.9773681300000003,     0.0000000000000000 ] # b
   - [    -1.2368994200000001,     0.0000000000000000,     4.4657609000000003 ] # c
   points:
   - symbol: H  # 1
     coordinates: [  0.4709422100000000,  0.2864100600000000,  0.7171705300000000 ]
     mass: 1.007940
   - symbol: H  # 2
     coordinates: [  0.5290577900000000,  0.2864100600000000,  0.2828294700000000 ]
     mass: 1.007940
   - symbol: H  # 3
     coordinates: [  0.5290577900000000,  0.7135899400000000,  0.2828294700000000 ]
     mass: 1.007940
   - symbol: H  # 4
     coordinates: [  0.4709422100000000,  0.7135899400000000,  0.7171705300000000 ]
     mass: 1.007940
   - symbol: H  # 5
     coordinates: [  0.3751039700000000,  0.1993008400000000,  0.5048832000000000 ]
     mass: 1.007940
   - symbol: H  # 6
     coordinates: [  0.3751039700000000,  0.8006991600000000,  0.5048832000000000 ]
     mass: 1.007940
   - symbol: H  # 7
     coordinates: [  0.1909714400000000,  0.1263268600000000,  0.9649706500000000 ]
     mass: 1.007940
   - symbol: H  # 8
     coordinates: [  0.8090285600000000,  0.1263268600000000,  0.0350293500000000 ]
     mass: 1.007940
   - symbol: H  # 9
     coordinates: [  0.8090285600000000,  0.8736731400000000,  0.0350293500000000 ]
     mass: 1.007940
   - symbol: H  # 10
     coordinates: [  0.1909714400000000,  0.8736731400000000,  0.9649706500000000 ]
     mass: 1.007940
   - symbol: H  # 11
     coordinates: [  0.1256101100000000,  0.0809404600000000,  0.6355439600000000 ]
     mass: 1.007940
   - symbol: H  # 12
     coordinates: [  0.8743898900000000,  0.0809404600000000,  0.3644560400000000 ]
     mass: 1.007940
   - symbol: H  # 13
     coordinates: [  0.8743898900000000,  0.9190595400000000,  0.3644560400000000 ]
     mass: 1.007940
   - symbol: H  # 14
     coordinates: [  0.1256101100000000,  0.9190595400000000,  0.6355439600000000 ]
     mass: 1.007940
   - symbol: H  # 15
     coordinates: [  0.6248960300000000,  0.1993008400000000,  0.4951168000000000 ]
     mass: 1.007940
   - symbol: H  # 16
     coordinates: [  0.6248960300000000,  0.8006991600000000,  0.4951168000000000 ]
     mass: 1.007940
   - symbol: H  # 17
     coordinates: [  0.9709422100000000,  0.7864100600000000,  0.7171705300000000 ]
     mass: 1.007940
   - symbol: H  # 18
     coordinates: [  0.0290577900000000,  0.7864100600000000,  0.2828294700000000 ]
     mass: 1.007940
   - symbol: H  # 19
     coordinates: [  0.0290577900000000,  0.2135899400000000,  0.2828294700000000 ]
     mass: 1.007940
   - symbol: H  # 20
     coordinates: [  0.9709422100000000,  0.2135899400000000,  0.7171705300000000 ]
     mass: 1.007940
   - symbol: H  # 21
     coordinates: [  0.8751039700000000,  0.6993008400000000,  0.5048832000000000 ]
     mass: 1.007940
   - symbol: H  # 22
     coordinates: [  0.8751039700000000,  0.3006991600000000,  0.5048832000000000 ]
     mass: 1.007940
   - symbol: H  # 23
     coordinates: [  0.6909714400000000,  0.6263268600000000,  0.9649706500000000 ]
     mass: 1.007940
   - symbol: H  # 24
     coordinates: [  0.3090285600000000,  0.6263268600000000,  0.0350293500000000 ]
     mass: 1.007940
   - symbol: H  # 25
     coordinates: [  0.3090285600000000,  0.3736731400000000,  0.0350293500000000 ]
     mass: 1.007940
   - symbol: H  # 26
     coordinates: [  0.6909714400000000,  0.3736731400000000,  0.9649706500000000 ]
     mass: 1.007940
   - symbol: H  # 27
     coordinates: [  0.6256101100000000,  0.5809404600000000,  0.6355439600000000 ]
     mass: 1.007940
   - symbol: H  # 28
     coordinates: [  0.3743898900000000,  0.5809404600000000,  0.3644560400000000 ]
     mass: 1.007940
   - symbol: H  # 29
     coordinates: [  0.3743898900000000,  0.4190595400000000,  0.3644560400000000 ]
     mass: 1.007940
   - symbol: H  # 30
     coordinates: [  0.6256101100000000,  0.4190595400000000,  0.6355439600000000 ]
     mass: 1.007940
   - symbol: H  # 31
     coordinates: [  0.1248960300000000,  0.6993008400000000,  0.4951168000000000 ]
     mass: 1.007940
   - symbol: H  # 32
     coordinates: [  0.1248960300000000,  0.3006991600000000,  0.4951168000000000 ]
     mass: 1.007940
   - symbol: O  # 33
     coordinates: [  0.5993421000000000,  0.6147847800000000,  0.8095522000000001 ]
     mass: 15.999400
   - symbol: O  # 34
     coordinates: [  0.4056529600000000,  0.7718323100000000,  0.7121468600000000 ]
     mass: 15.999400
   - symbol: O  # 35
     coordinates: [  0.5943470400000000,  0.7718323100000000,  0.2878531400000000 ]
     mass: 15.999400
   - symbol: O  # 36
     coordinates: [  0.5943470400000000,  0.2281676900000000,  0.2878531400000000 ]
     mass: 15.999400
   - symbol: O  # 37
     coordinates: [  0.4056529600000000,  0.2281676900000000,  0.7121468600000000 ]
     mass: 15.999400
   - symbol: O  # 38
     coordinates: [  0.5993421000000000,  0.3852152200000000,  0.8095522000000001 ]
     mass: 15.999400
   - symbol: O  # 39
     coordinates: [  0.6604300800000000,  0.9002516300000000,  0.7777713000000001 ]
     mass: 15.999400
   - symbol: O  # 40
     coordinates: [  0.3395699200000000,  0.9002516300000000,  0.2222287000000000 ]
     mass: 15.999400
   - symbol: O  # 41
     coordinates: [  0.3395699200000000,  0.0997483700000000,  0.2222287000000000 ]
     mass: 15.999400
   - symbol: O  # 42
     coordinates: [  0.6604300800000000,  0.0997483700000000,  0.7777713000000001 ]
     mass: 15.999400
   - symbol: O  # 43
     coordinates: [  0.4008424700000000,  0.0000000000000000,  0.7129782300000000 ]
     mass: 15.999400
   - symbol: O  # 44
     coordinates: [  0.5991575300000000,  0.0000000000000000,  0.2870217700000000 ]
     mass: 15.999400
   - symbol: O  # 45
     coordinates: [  0.1573669100000000,  0.0000000000000000,  0.3854140700000000 ]
     mass: 15.999400
   - symbol: O  # 46
     coordinates: [  0.8426330900000000,  0.0000000000000000,  0.6145859299999999 ]
     mass: 15.999400
   - symbol: O  # 47
     coordinates: [  0.4006579000000000,  0.6147847800000000,  0.1904478000000000 ]
     mass: 15.999400
   - symbol: O  # 48
     coordinates: [  0.4006579000000000,  0.3852152200000000,  0.1904478000000000 ]
     mass: 15.999400
   - symbol: O  # 49
     coordinates: [  0.0993421000000000,  0.1147847800000000,  0.8095522000000001 ]
     mass: 15.999400
   - symbol: O  # 50
     coordinates: [  0.9056529600000000,  0.2718323100000000,  0.7121468600000000 ]
     mass: 15.999400
   - symbol: O  # 51
     coordinates: [  0.0943470400000000,  0.2718323100000000,  0.2878531400000000 ]
     mass: 15.999400
   - symbol: O  # 52
     coordinates: [  0.0943470400000000,  0.7281676900000000,  0.2878531400000000 ]
     mass: 15.999400
   - symbol: O  # 53
     coordinates: [  0.9056529600000000,  0.7281676900000000,  0.7121468600000000 ]
     mass: 15.999400
   - symbol: O  # 54
     coordinates: [  0.0993421000000000,  0.8852152200000000,  0.8095522000000001 ]
     mass: 15.999400
   - symbol: O  # 55
     coordinates: [  0.1604300800000000,  0.4002516300000000,  0.7777713000000001 ]
     mass: 15.999400
   - symbol: O  # 56
     coordinates: [  0.8395699200000000,  0.4002516300000000,  0.2222287000000000 ]
     mass: 15.999400
   - symbol: O  # 57
     coordinates: [  0.8395699200000000,  0.5997483700000000,  0.2222287000000000 ]
     mass: 15.999400
   - symbol: O  # 58
     coordinates: [  0.1604300800000000,  0.5997483700000000,  0.7777713000000001 ]
     mass: 15.999400
   - symbol: O  # 59
     coordinates: [  0.9008424700000000,  0.5000000000000000,  0.7129782300000000 ]
     mass: 15.999400
   - symbol: O  # 60
     coordinates: [  0.0991575300000000,  0.5000000000000000,  0.2870217700000000 ]
     mass: 15.999400
   - symbol: O  # 61
     coordinates: [  0.6573669100000000,  0.5000000000000000,  0.3854140700000000 ]
     mass: 15.999400
   - symbol: O  # 62
     coordinates: [  0.3426330900000000,  0.5000000000000000,  0.6145859299999999 ]
     mass: 15.999400
   - symbol: O  # 63
     coordinates: [  0.9006579000000000,  0.1147847800000000,  0.1904478000000000 ]
     mass: 15.999400
   - symbol: O  # 64
     coordinates: [  0.9006579000000000,  0.8852152200000000,  0.1904478000000000 ]
     mass: 15.999400
   - symbol: Mg # 65
     coordinates: [  0.0000000000000000,  0.0000000000000000,  0.0000000000000000 ]
     mass: 24.305000
   - symbol: Mg # 66
     coordinates: [  0.5000000000000000,  0.8857472199999999,  0.0000000000000000 ]
     mass: 24.305000
   - symbol: Mg # 67
     coordinates: [  0.5000000000000000,  0.1142527800000000,  0.0000000000000000 ]
     mass: 24.305000
   - symbol: Mg # 68
     coordinates: [  0.5000000000000000,  0.5000000000000000,  0.0000000000000000 ]
     mass: 24.305000
   - symbol: Mg # 69
     coordinates: [  0.0000000000000000,  0.3857472200000000,  0.0000000000000000 ]
     mass: 24.305000
   - symbol: Mg # 70
     coordinates: [  0.0000000000000000,  0.6142527800000001,  0.0000000000000000 ]
     mass: 24.305000
   - symbol: P  # 71
     coordinates: [  0.6864556700000000,  0.0000000000000000,  0.6158873300000000 ]
     mass: 30.973762
   - symbol: P  # 72
     coordinates: [  0.3135443300000000,  0.0000000000000000,  0.3841126700000000 ]
     mass: 30.973762
   - symbol: P  # 73
     coordinates: [  0.1864556700000000,  0.5000000000000000,  0.6158873300000000 ]
     mass: 30.973762
   - symbol: P  # 74
     coordinates: [  0.8135443300000000,  0.5000000000000000,  0.3841126700000000 ]
     mass: 30.973762
   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
   - 73
   - 74

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