Materials id 17714 / Ho4(B2O5)3 / 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-17714-20180417.tar.lzma <./mp-17714-20180417.tar.lzma>`
- Link to Materials Project: `https://www.materialsproject.org/materials/mp-17714/ <https://www.materialsproject.org/materials/mp-17714/>`_

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

.. image:: mp-17714-band.png

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

.. image:: mp-17714-dos.png

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

Imaginary modes are excluded if they exist.

.. image:: mp-17714-tprops.png

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

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

::

   lattice:
   - [    11.6035574500000003,     0.0000000000000000,    -0.0011299100000000 ] # a
   - [     0.0000000000000000,     4.3465750700000001,     0.0000000000000000 ] # b
   - [    -2.0989533900000001,     0.0000000000000000,    18.4947722299999988 ] # c
   points:
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     mass: 10.811000
   - symbol: B  # 2
     coordinates: [  0.6686402800000000,  0.3106086000000000,  0.4746884000000000 ]
     mass: 10.811000
   - symbol: B  # 3
     coordinates: [  0.6686402800000000,  0.6893914000000000,  0.9746884000000000 ]
     mass: 10.811000
   - symbol: B  # 4
     coordinates: [  0.8313597200000000,  0.1893914000000000,  0.5253116000000000 ]
     mass: 10.811000
   - symbol: B  # 5
     coordinates: [  0.9315511600000000,  0.2687022900000000,  0.3054625000000000 ]
     mass: 10.811000
   - symbol: B  # 6
     coordinates: [  0.5684488400000000,  0.7687022900000000,  0.1945375000000000 ]
     mass: 10.811000
   - symbol: B  # 7
     coordinates: [  0.5684488400000000,  0.2312977100000000,  0.6945375000000000 ]
     mass: 10.811000
   - symbol: B  # 8
     coordinates: [  0.9315511600000000,  0.7312977100000000,  0.8054625000000000 ]
     mass: 10.811000
   - symbol: B  # 9
     coordinates: [  0.9046758600000000,  0.2956286000000000,  0.0870732400000000 ]
     mass: 10.811000
   - symbol: B  # 10
     coordinates: [  0.5953241400000000,  0.7956286000000000,  0.4129267600000000 ]
     mass: 10.811000
   - symbol: B  # 11
     coordinates: [  0.5953241400000000,  0.2043714000000000,  0.9129267599999999 ]
     mass: 10.811000
   - symbol: B  # 12
     coordinates: [  0.9046758600000000,  0.7043714000000000,  0.5870732400000001 ]
     mass: 10.811000
   - symbol: B  # 13
     coordinates: [  0.3313597200000000,  0.3106086000000000,  0.0253116000000000 ]
     mass: 10.811000
   - symbol: B  # 14
     coordinates: [  0.1686402800000000,  0.8106086000000000,  0.4746884000000000 ]
     mass: 10.811000
   - symbol: B  # 15
     coordinates: [  0.1686402800000000,  0.1893914000000000,  0.9746884000000000 ]
     mass: 10.811000
   - symbol: B  # 16
     coordinates: [  0.3313597200000000,  0.6893914000000000,  0.5253116000000000 ]
     mass: 10.811000
   - symbol: B  # 17
     coordinates: [  0.4315511600000000,  0.7687022900000000,  0.3054625000000000 ]
     mass: 10.811000
   - symbol: B  # 18
     coordinates: [  0.0684488400000000,  0.2687022900000000,  0.1945375000000000 ]
     mass: 10.811000
   - symbol: B  # 19
     coordinates: [  0.0684488400000000,  0.7312977100000000,  0.6945375000000000 ]
     mass: 10.811000
   - symbol: B  # 20
     coordinates: [  0.4315511600000000,  0.2312977100000000,  0.8054625000000000 ]
     mass: 10.811000
   - symbol: B  # 21
     coordinates: [  0.4046758600000000,  0.7956286000000000,  0.0870732400000000 ]
     mass: 10.811000
   - symbol: B  # 22
     coordinates: [  0.0953241400000000,  0.2956286000000000,  0.4129267600000000 ]
     mass: 10.811000
   - symbol: B  # 23
     coordinates: [  0.0953241400000000,  0.7043714000000000,  0.9129267599999999 ]
     mass: 10.811000
   - symbol: B  # 24
     coordinates: [  0.4046758600000000,  0.2043714000000000,  0.5870732400000001 ]
     mass: 10.811000
   - symbol: O  # 25
     coordinates: [  0.6786273700000000,  0.2394093800000000,  0.8604287300000000 ]
     mass: 15.999400
   - symbol: O  # 26
     coordinates: [  0.8213726300000000,  0.2605906200000000,  0.1395712700000000 ]
     mass: 15.999400
   - symbol: O  # 27
     coordinates: [  0.7097923400000000,  0.2029081000000000,  0.5504193600000000 ]
     mass: 15.999400
   - symbol: O  # 28
     coordinates: [  0.7902076600000000,  0.7029081000000000,  0.9495806400000000 ]
     mass: 15.999400
   - symbol: O  # 29
     coordinates: [  0.7902076600000000,  0.2970919000000000,  0.4495806400000000 ]
     mass: 15.999400
   - symbol: O  # 30
     coordinates: [  0.7097923400000000,  0.7970919000000000,  0.0504193600000000 ]
     mass: 15.999400
   - symbol: O  # 31
     coordinates: [  0.5158636300000000,  0.3260475700000000,  0.6206542300000000 ]
     mass: 15.999400
   - symbol: O  # 32
     coordinates: [  0.9841363700000000,  0.8260475700000000,  0.8793457700000000 ]
     mass: 15.999400
   - symbol: O  # 33
     coordinates: [  0.6786273700000000,  0.7605906200000000,  0.3604287300000000 ]
     mass: 15.999400
   - symbol: O  # 34
     coordinates: [  0.5158636300000000,  0.6739524300000000,  0.1206542300000000 ]
     mass: 15.999400
   - symbol: O  # 35
     coordinates: [  0.9346455900000000,  0.4022800900000000,  0.8027738000000000 ]
     mass: 15.999400
   - symbol: O  # 36
     coordinates: [  0.5653544100000000,  0.9022800900000000,  0.6972262000000000 ]
     mass: 15.999400
   - symbol: O  # 37
     coordinates: [  0.5653544100000000,  0.0977199100000000,  0.1972262000000000 ]
     mass: 15.999400
   - symbol: O  # 38
     coordinates: [  0.9346455900000000,  0.5977199100000000,  0.3027738000000000 ]
     mass: 15.999400
   - symbol: O  # 39
     coordinates: [  0.9170291200000000,  0.3701501300000000,  0.5703107300000000 ]
     mass: 15.999400
   - symbol: O  # 40
     coordinates: [  0.5829708800000000,  0.8701501300000000,  0.9296892700000000 ]
     mass: 15.999400
   - symbol: O  # 41
     coordinates: [  0.5829708800000000,  0.1298498700000000,  0.4296892700000000 ]
     mass: 15.999400
   - symbol: O  # 42
     coordinates: [  0.9170291200000000,  0.6298498700000000,  0.0703107300000000 ]
     mass: 15.999400
   - symbol: O  # 43
     coordinates: [  0.6276185500000000,  0.6240332500000000,  0.4800680400000000 ]
     mass: 15.999400
   - symbol: O  # 44
     coordinates: [  0.8723814500000000,  0.1240332500000000,  0.0199319600000000 ]
     mass: 15.999400
   - symbol: O  # 45
     coordinates: [  0.8723814500000000,  0.8759667500000000,  0.5199319600000000 ]
     mass: 15.999400
   - symbol: O  # 46
     coordinates: [  0.6276185500000000,  0.3759667500000000,  0.9800680400000000 ]
     mass: 15.999400
   - symbol: O  # 47
     coordinates: [  0.6826979200000000,  0.3722787400000000,  0.7040459999999999 ]
     mass: 15.999400
   - symbol: O  # 48
     coordinates: [  0.8173020800000000,  0.8722787400000001,  0.7959540000000001 ]
     mass: 15.999400
   - symbol: O  # 49
     coordinates: [  0.8173020800000000,  0.1277212600000000,  0.2959540000000000 ]
     mass: 15.999400
   - symbol: O  # 50
     coordinates: [  0.6826979200000000,  0.6277212599999999,  0.2040460000000000 ]
     mass: 15.999400
   - symbol: O  # 51
     coordinates: [  0.5000000000000000,  0.6276701600000000,  0.2500000000000000 ]
     mass: 15.999400
   - symbol: O  # 52
     coordinates: [  0.5000000000000000,  0.3723298400000000,  0.7500000000000000 ]
     mass: 15.999400
   - symbol: O  # 53
     coordinates: [  0.9841363700000000,  0.1739524300000000,  0.3793457700000000 ]
     mass: 15.999400
   - symbol: O  # 54
     coordinates: [  0.8213726300000000,  0.7394093800000000,  0.6395712700000000 ]
     mass: 15.999400
   - symbol: O  # 55
     coordinates: [  0.1786273700000000,  0.7394093800000000,  0.8604287300000000 ]
     mass: 15.999400
   - symbol: O  # 56
     coordinates: [  0.3213726300000000,  0.7605906200000000,  0.1395712700000000 ]
     mass: 15.999400
   - symbol: O  # 57
     coordinates: [  0.2097923400000000,  0.7029081000000000,  0.5504193600000000 ]
     mass: 15.999400
   - symbol: O  # 58
     coordinates: [  0.2902076600000000,  0.2029081000000000,  0.9495806400000000 ]
     mass: 15.999400
   - symbol: O  # 59
     coordinates: [  0.2902076600000000,  0.7970919000000000,  0.4495806400000000 ]
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   - symbol: O  # 60
     coordinates: [  0.2097923400000000,  0.2970919000000000,  0.0504193600000000 ]
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     coordinates: [  0.0158636300000000,  0.8260475700000000,  0.6206542300000000 ]
     mass: 15.999400
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     coordinates: [  0.1786273700000000,  0.2605906200000000,  0.3604287300000000 ]
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     coordinates: [  0.0158636300000000,  0.1739524300000000,  0.1206542300000000 ]
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     coordinates: [  0.4346455900000000,  0.9022800900000000,  0.8027738000000000 ]
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     coordinates: [  0.4346455900000000,  0.0977199100000000,  0.3027738000000000 ]
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     coordinates: [  0.4170291200000000,  0.8701501300000000,  0.5703107300000000 ]
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     coordinates: [  0.0829708800000000,  0.3701501300000000,  0.9296892700000000 ]
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     coordinates: [  0.0829708800000000,  0.6298498700000000,  0.4296892700000000 ]
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     coordinates: [  0.4170291200000000,  0.1298498700000000,  0.0703107300000000 ]
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     coordinates: [  0.1276185500000000,  0.1240332500000000,  0.4800680400000000 ]
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     coordinates: [  0.3723814500000000,  0.6240332500000000,  0.0199319600000000 ]
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     coordinates: [  0.3723814500000000,  0.3759667500000000,  0.5199319600000000 ]
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     coordinates: [  0.1276185500000000,  0.8759667500000000,  0.9800680400000000 ]
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     coordinates: [  0.1826979200000000,  0.8722787400000001,  0.7040459999999999 ]
     mass: 15.999400
   - symbol: O  # 78
     coordinates: [  0.3173020800000000,  0.3722787400000000,  0.7959540000000001 ]
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     coordinates: [  0.3173020800000000,  0.6277212599999999,  0.2959540000000000 ]
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     coordinates: [  0.1826979200000000,  0.1277212600000000,  0.2040460000000000 ]
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     coordinates: [  0.0000000000000000,  0.8723298400000000,  0.7500000000000000 ]
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     coordinates: [  0.4841363700000000,  0.6739524300000000,  0.3793457700000000 ]
     mass: 15.999400
   - symbol: O  # 84
     coordinates: [  0.3213726300000000,  0.2394093800000000,  0.6395712700000000 ]
     mass: 15.999400
   - symbol: Ho # 85
     coordinates: [  0.6356044300000000,  0.2973369100000000,  0.1001189300000000 ]
     mass: 164.930320
   - symbol: Ho # 86
     coordinates: [  0.8643955700000000,  0.7973369100000000,  0.3998810700000000 ]
     mass: 164.930320
   - symbol: Ho # 87
     coordinates: [  0.8643955700000000,  0.2026630900000000,  0.8998810699999999 ]
     mass: 164.930320
   - symbol: Ho # 88
     coordinates: [  0.6356044300000000,  0.7026630900000000,  0.6001189300000001 ]
     mass: 164.930320
   - symbol: Ho # 89
     coordinates: [  0.8633963800000000,  0.7859640500000000,  0.1960522000000000 ]
     mass: 164.930320
   - symbol: Ho # 90
     coordinates: [  0.6366036200000000,  0.2859640500000000,  0.3039478000000000 ]
     mass: 164.930320
   - symbol: Ho # 91
     coordinates: [  0.6366036200000000,  0.7140359500000000,  0.8039478000000000 ]
     mass: 164.930320
   - symbol: Ho # 92
     coordinates: [  0.8633963800000000,  0.2140359500000000,  0.6960522000000000 ]
     mass: 164.930320
   - symbol: Ho # 93
     coordinates: [  0.1356044300000000,  0.7973369100000000,  0.1001189300000000 ]
     mass: 164.930320
   - symbol: Ho # 94
     coordinates: [  0.3643955700000000,  0.2973369100000000,  0.3998810700000000 ]
     mass: 164.930320
   - symbol: Ho # 95
     coordinates: [  0.3643955700000000,  0.7026630900000000,  0.8998810699999999 ]
     mass: 164.930320
   - symbol: Ho # 96
     coordinates: [  0.1356044300000000,  0.2026630900000000,  0.6001189300000001 ]
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   - symbol: Ho # 97
     coordinates: [  0.3633963800000000,  0.2859640500000000,  0.1960522000000000 ]
     mass: 164.930320
   - symbol: Ho # 98
     coordinates: [  0.1366036200000000,  0.7859640500000000,  0.3039478000000000 ]
     mass: 164.930320
   - symbol: Ho # 99
     coordinates: [  0.1366036200000000,  0.2140359500000000,  0.8039478000000000 ]
     mass: 164.930320
   - symbol: Ho # 100
     coordinates: [  0.3633963800000000,  0.7140359500000000,  0.6960522000000000 ]
     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
   - 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
   - 75
   - 76
   - 77
   - 78
   - 79
   - 80
   - 81
   - 82
   - 83
   - 84
   - 85
   - 86
   - 87
   - 88
   - 89
   - 90
   - 91
   - 92
   - 93
   - 94
   - 95
   - 96
   - 97
   - 98
   - 99
   - 100

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