Materials id 14387 / Tb3Al5O12 / Ia-3d (230)
==============================================================================

- Date page updated: 2018-4-17
- Space group type: Ia-3d (230) / -I 4bd 2c 3
- Number of formula units (Z): 8
- Phonon raw data: :download:`mp-14387-20180417.tar.lzma <./mp-14387-20180417.tar.lzma>`
- Link to Materials Project: `https://www.materialsproject.org/materials/mp-14387/ <https://www.materialsproject.org/materials/mp-14387/>`_

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

.. image:: mp-14387-band.png

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

.. image:: mp-14387-dos.png

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

Imaginary modes are excluded if they exist.

.. image:: mp-14387-tprops.png

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

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

::

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   - [     0.0000000000000000,     0.0000000000000000,    12.0184583499999995 ] # c
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     mass: 158.925350
   - symbol: Tb # 159
     coordinates: [  0.2500000000000000,  0.1250000000000000,  0.0000000000000000 ]
     mass: 158.925350
   - symbol: Tb # 160
     coordinates: [  0.5000000000000000,  0.2500000000000000,  0.8750000000000000 ]
     mass: 158.925350
   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
   - 101
   - 102
   - 103
   - 104
   - 105
   - 106
   - 107
   - 108
   - 109
   - 110
   - 111
   - 112
   - 113
   - 114
   - 115
   - 116
   - 117
   - 118
   - 119
   - 120
   - 121
   - 122
   - 123
   - 124
   - 125
   - 126
   - 127
   - 128
   - 129
   - 130
   - 131
   - 132
   - 133
   - 134
   - 135
   - 136
   - 137
   - 138
   - 139
   - 140
   - 141
   - 142
   - 143
   - 144
   - 145
   - 146
   - 147
   - 148
   - 149
   - 150
   - 151
   - 152
   - 153
   - 154
   - 155
   - 156
   - 157
   - 158
   - 159
   - 160

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