Materials id 23626 / RbLi2(IO3)3 / 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-23626-20180417.tar.lzma <./mp-23626-20180417.tar.lzma>`
- Link to Materials Project: `https://www.materialsproject.org/materials/mp-23626/ <https://www.materialsproject.org/materials/mp-23626/>`_

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

.. image:: mp-23626-band.png

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

.. image:: mp-23626-dos.png

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

Imaginary modes are excluded if they exist.

.. image:: mp-23626-tprops.png

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

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

::

   lattice:
   - [     8.1869952399999999,     0.0000000000000000,     0.0576042200000000 ] # a
   - [     0.0000000000000000,    10.9789795600000009,     0.0000000000000000 ] # b
   - [    -3.9202351599999998,     0.0000000000000000,    10.4207664700000002 ] # c
   points:
   - symbol: Li # 1
     coordinates: [  0.3731128300000000,  0.7834889800000000,  0.1376662800000000 ]
     mass: 6.941000
   - symbol: Li # 2
     coordinates: [  0.6268871700000000,  0.2834889800000000,  0.3623337200000000 ]
     mass: 6.941000
   - symbol: Li # 3
     coordinates: [  0.6268871700000000,  0.2165110200000000,  0.8623337200000000 ]
     mass: 6.941000
   - symbol: Li # 4
     coordinates: [  0.3731128300000000,  0.7165110200000000,  0.6376662800000000 ]
     mass: 6.941000
   - symbol: Li # 5
     coordinates: [  0.9828771700000000,  0.7901110900000000,  0.1529691800000000 ]
     mass: 6.941000
   - symbol: Li # 6
     coordinates: [  0.0171228300000000,  0.2901110900000000,  0.3470308200000000 ]
     mass: 6.941000
   - symbol: Li # 7
     coordinates: [  0.0171228300000000,  0.2098889100000000,  0.8470308200000000 ]
     mass: 6.941000
   - symbol: Li # 8
     coordinates: [  0.9828771700000000,  0.7098889100000000,  0.6529691800000000 ]
     mass: 6.941000
   - symbol: O  # 9
     coordinates: [  0.8646868900000000,  0.9237305000000000,  0.4200375200000000 ]
     mass: 15.999400
   - symbol: O  # 10
     coordinates: [  0.1353131100000000,  0.4237305000000000,  0.0799624800000000 ]
     mass: 15.999400
   - symbol: O  # 11
     coordinates: [  0.1353131100000000,  0.0762695000000000,  0.5799624799999999 ]
     mass: 15.999400
   - symbol: O  # 12
     coordinates: [  0.8646868900000000,  0.5762695000000000,  0.9200375200000001 ]
     mass: 15.999400
   - symbol: O  # 13
     coordinates: [  0.8584174500000000,  0.2047110800000000,  0.4071492800000000 ]
     mass: 15.999400
   - symbol: O  # 14
     coordinates: [  0.1415825500000000,  0.7047110800000000,  0.0928507200000000 ]
     mass: 15.999400
   - symbol: O  # 15
     coordinates: [  0.0206072800000000,  0.7398642400000000,  0.3303401900000000 ]
     mass: 15.999400
   - symbol: O  # 16
     coordinates: [  0.1415825500000000,  0.7952889200000000,  0.5928507200000001 ]
     mass: 15.999400
   - symbol: O  # 17
     coordinates: [  0.0546592000000000,  0.5402346900000000,  0.6882350699999999 ]
     mass: 15.999400
   - symbol: O  # 18
     coordinates: [  0.9453408000000000,  0.0402346900000000,  0.8117649300000001 ]
     mass: 15.999400
   - symbol: O  # 19
     coordinates: [  0.9453408000000000,  0.4597653100000000,  0.3117649300000000 ]
     mass: 15.999400
   - symbol: O  # 20
     coordinates: [  0.0546592000000000,  0.9597653100000000,  0.1882350700000000 ]
     mass: 15.999400
   - symbol: O  # 21
     coordinates: [  0.3563975000000000,  0.5411240500000000,  0.6238162500000000 ]
     mass: 15.999400
   - symbol: O  # 22
     coordinates: [  0.6436025000000000,  0.0411240500000000,  0.8761837500000000 ]
     mass: 15.999400
   - symbol: O  # 23
     coordinates: [  0.6436025000000000,  0.4588759500000000,  0.3761837500000000 ]
     mass: 15.999400
   - symbol: O  # 24
     coordinates: [  0.3563975000000000,  0.9588759500000000,  0.1238162500000000 ]
     mass: 15.999400
   - symbol: O  # 25
     coordinates: [  0.3607839900000000,  0.4545420400000000,  0.8583496200000000 ]
     mass: 15.999400
   - symbol: O  # 26
     coordinates: [  0.6392160099999999,  0.9545420400000000,  0.6416503800000000 ]
     mass: 15.999400
   - symbol: O  # 27
     coordinates: [  0.6392160099999999,  0.5454579600000000,  0.1416503800000000 ]
     mass: 15.999400
   - symbol: O  # 28
     coordinates: [  0.3607839900000000,  0.0454579600000000,  0.3583496200000000 ]
     mass: 15.999400
   - symbol: O  # 29
     coordinates: [  0.7399975600000001,  0.7102180900000000,  0.5505360400000000 ]
     mass: 15.999400
   - symbol: O  # 30
     coordinates: [  0.2600024400000000,  0.2102180900000000,  0.9494639600000000 ]
     mass: 15.999400
   - symbol: O  # 31
     coordinates: [  0.2600024400000000,  0.2897819100000000,  0.4494639600000000 ]
     mass: 15.999400
   - symbol: O  # 32
     coordinates: [  0.7399975600000001,  0.7897819100000000,  0.0505360400000000 ]
     mass: 15.999400
   - symbol: O  # 33
     coordinates: [  0.5412844500000000,  0.7657652600000000,  0.7990762900000000 ]
     mass: 15.999400
   - symbol: O  # 34
     coordinates: [  0.4587155500000000,  0.2657652600000000,  0.7009237100000000 ]
     mass: 15.999400
   - symbol: O  # 35
     coordinates: [  0.4587155500000000,  0.2342347400000000,  0.2009237100000000 ]
     mass: 15.999400
   - symbol: O  # 36
     coordinates: [  0.5412844500000000,  0.7342347400000000,  0.2990762900000000 ]
     mass: 15.999400
   - symbol: O  # 37
     coordinates: [  0.3932973900000000,  0.7251372000000000,  0.9800018800000000 ]
     mass: 15.999400
   - symbol: O  # 38
     coordinates: [  0.6067026100000000,  0.2251372000000000,  0.5199981200000000 ]
     mass: 15.999400
   - symbol: O  # 39
     coordinates: [  0.6067026100000000,  0.2748628000000000,  0.0199981200000000 ]
     mass: 15.999400
   - symbol: O  # 40
     coordinates: [  0.3932973900000000,  0.7748628000000000,  0.4800018800000000 ]
     mass: 15.999400
   - symbol: O  # 41
     coordinates: [  0.0206072800000000,  0.7601357600000000,  0.8303401900000000 ]
     mass: 15.999400
   - symbol: O  # 42
     coordinates: [  0.9793927200000000,  0.2601357600000000,  0.6696598100000000 ]
     mass: 15.999400
   - symbol: O  # 43
     coordinates: [  0.9793927200000000,  0.2398642400000000,  0.1696598100000000 ]
     mass: 15.999400
   - symbol: O  # 44
     coordinates: [  0.8584174500000000,  0.2952889200000000,  0.9071492799999999 ]
     mass: 15.999400
   - symbol: Rb # 45
     coordinates: [  0.2877495100000000,  0.5432380100000000,  0.3391336800000000 ]
     mass: 85.467800
   - symbol: Rb # 46
     coordinates: [  0.7122504900000000,  0.0432380100000000,  0.1608663200000000 ]
     mass: 85.467800
   - symbol: Rb # 47
     coordinates: [  0.7122504900000000,  0.4567619900000000,  0.6608663200000000 ]
     mass: 85.467800
   - symbol: Rb # 48
     coordinates: [  0.2877495100000000,  0.9567619900000000,  0.8391336800000000 ]
     mass: 85.467800
   - symbol: I  # 49
     coordinates: [  0.0869184900000000,  0.8710540000000000,  0.4376023700000000 ]
     mass: 126.904470
   - symbol: I  # 50
     coordinates: [  0.9130815100000000,  0.3710540000000000,  0.0623976300000000 ]
     mass: 126.904470
   - symbol: I  # 51
     coordinates: [  0.9130815100000000,  0.1289460000000000,  0.5623976300000000 ]
     mass: 126.904470
   - symbol: I  # 52
     coordinates: [  0.0869184900000000,  0.6289460000000000,  0.9376023700000000 ]
     mass: 126.904470
   - symbol: I  # 53
     coordinates: [  0.5908619700000000,  0.8215600000000000,  0.4498660600000000 ]
     mass: 126.904470
   - symbol: I  # 54
     coordinates: [  0.4091380300000000,  0.3215600000000000,  0.0501339400000000 ]
     mass: 126.904470
   - symbol: I  # 55
     coordinates: [  0.4091380300000000,  0.1784400000000000,  0.5501339400000000 ]
     mass: 126.904470
   - symbol: I  # 56
     coordinates: [  0.5908619700000000,  0.6784400000000000,  0.9498660600000000 ]
     mass: 126.904470
   - symbol: I  # 57
     coordinates: [  0.7674626700000000,  0.5617727100000000,  0.3124197300000000 ]
     mass: 126.904470
   - symbol: I  # 58
     coordinates: [  0.2325373300000000,  0.0617727100000000,  0.1875802700000000 ]
     mass: 126.904470
   - symbol: I  # 59
     coordinates: [  0.2325373300000000,  0.4382272900000000,  0.6875802700000000 ]
     mass: 126.904470
   - symbol: I  # 60
     coordinates: [  0.7674626700000000,  0.9382272900000000,  0.8124197300000000 ]
     mass: 126.904470
   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

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