Materials id 6639 / RbGeSbO5 / Pna2_1 (33)
==============================================================================

- Date page updated: 2018-4-17
- Space group type: Pna2_1 (33) / P 2c -2n
- Number of formula units (Z): 8
- Phonon raw data: :download:`mp-6639-20180417.tar.lzma <./mp-6639-20180417.tar.lzma>`
- Link to Materials Project: `https://www.materialsproject.org/materials/mp-6639/ <https://www.materialsproject.org/materials/mp-6639/>`_

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

.. image:: mp-6639-band.png

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

.. image:: mp-6639-dos.png

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

Imaginary modes are excluded if they exist.

.. image:: mp-6639-tprops.png

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

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

::

   lattice:
   - [    13.4646053800000001,     0.0000000000000000,     0.0000000000000000 ] # a
   - [     0.0000000000000000,     6.7424080699999998,     0.0000000000000000 ] # b
   - [     0.0000000000000000,     0.0000000000000000,    10.8489821899999992 ] # c
   points:
   - symbol: O  # 1
     coordinates: [  0.7773135700000000,  0.5451034800000000,  0.8740022400000000 ]
     mass: 15.999400
   - symbol: O  # 2
     coordinates: [  0.2226864300000000,  0.4548965200000000,  0.3740022400000000 ]
     mass: 15.999400
   - symbol: O  # 3
     coordinates: [  0.2773135700000000,  0.9548965200000000,  0.8740022400000000 ]
     mass: 15.999400
   - symbol: O  # 4
     coordinates: [  0.7226864300000000,  0.0451034800000000,  0.3740022400000000 ]
     mass: 15.999400
   - symbol: O  # 5
     coordinates: [  0.7772076500000000,  0.4691981800000000,  0.1272068800000000 ]
     mass: 15.999400
   - symbol: O  # 6
     coordinates: [  0.2227923500000000,  0.5308018200000000,  0.6272068800000000 ]
     mass: 15.999400
   - symbol: O  # 7
     coordinates: [  0.2772076500000000,  0.0308018200000000,  0.1272068800000000 ]
     mass: 15.999400
   - symbol: O  # 8
     coordinates: [  0.7227923500000000,  0.9691981800000000,  0.6272068800000000 ]
     mass: 15.999400
   - symbol: O  # 9
     coordinates: [  0.7361295400000000,  0.9568081899999999,  0.8784350300000000 ]
     mass: 15.999400
   - symbol: O  # 10
     coordinates: [  0.2638704600000000,  0.0431918100000000,  0.3784350300000000 ]
     mass: 15.999400
   - symbol: O  # 11
     coordinates: [  0.2361295400000000,  0.5431918100000001,  0.8784350300000000 ]
     mass: 15.999400
   - symbol: O  # 12
     coordinates: [  0.7638704600000000,  0.4568081900000000,  0.3784350300000000 ]
     mass: 15.999400
   - symbol: O  # 13
     coordinates: [  0.7326024600000000,  0.0493575500000000,  0.1194546200000000 ]
     mass: 15.999400
   - symbol: O  # 14
     coordinates: [  0.2673975400000000,  0.9506424500000000,  0.6194546200000000 ]
     mass: 15.999400
   - symbol: O  # 15
     coordinates: [  0.2326024600000000,  0.4506424500000000,  0.1194546200000000 ]
     mass: 15.999400
   - symbol: O  # 16
     coordinates: [  0.3968728400000000,  0.6635426700000000,  0.7292038700000000 ]
     mass: 15.999400
   - symbol: O  # 17
     coordinates: [  0.7673975400000000,  0.5493575500000000,  0.6194546200000000 ]
     mass: 15.999400
   - symbol: O  # 18
     coordinates: [  0.1031954600000000,  0.7879026500000000,  0.4671317500000000 ]
     mass: 15.999400
   - symbol: O  # 19
     coordinates: [  0.3968045400000000,  0.2879026500000000,  0.9671317500000000 ]
     mass: 15.999400
   - symbol: O  # 20
     coordinates: [  0.6031954600000000,  0.7120973500000000,  0.4671317500000000 ]
     mass: 15.999400
   - symbol: O  # 21
     coordinates: [  0.8919105600000000,  0.8003664700000001,  0.0384387700000000 ]
     mass: 15.999400
   - symbol: O  # 22
     coordinates: [  0.1080894400000000,  0.1996335300000000,  0.5384387700000000 ]
     mass: 15.999400
   - symbol: O  # 23
     coordinates: [  0.3919105600000000,  0.6996335299999999,  0.0384387700000000 ]
     mass: 15.999400
   - symbol: O  # 24
     coordinates: [  0.6080894400000000,  0.3003664700000000,  0.5384387700000000 ]
     mass: 15.999400
   - symbol: O  # 25
     coordinates: [  0.9868454800000001,  0.4935940500000000,  0.1290182100000000 ]
     mass: 15.999400
   - symbol: O  # 26
     coordinates: [  0.0131545200000000,  0.5064059500000000,  0.6290182100000000 ]
     mass: 15.999400
   - symbol: O  # 27
     coordinates: [  0.4868454800000000,  0.0064059500000000,  0.1290182100000000 ]
     mass: 15.999400
   - symbol: O  # 28
     coordinates: [  0.5131545199999999,  0.9935940500000000,  0.6290182100000000 ]
     mass: 15.999400
   - symbol: O  # 29
     coordinates: [  0.0076834300000000,  0.4621776200000000,  0.3837514200000000 ]
     mass: 15.999400
   - symbol: O  # 30
     coordinates: [  0.9923165700000000,  0.5378223800000000,  0.8837514200000000 ]
     mass: 15.999400
   - symbol: O  # 31
     coordinates: [  0.5076834300000000,  0.0378223800000000,  0.3837514200000000 ]
     mass: 15.999400
   - symbol: O  # 32
     coordinates: [  0.4923165700000000,  0.9621776200000000,  0.8837514200000000 ]
     mass: 15.999400
   - symbol: O  # 33
     coordinates: [  0.8915799200000000,  0.1755816500000000,  0.2646183100000000 ]
     mass: 15.999400
   - symbol: O  # 34
     coordinates: [  0.1084200800000000,  0.8244183500000000,  0.7646183100000000 ]
     mass: 15.999400
   - symbol: O  # 35
     coordinates: [  0.3915799200000000,  0.3244183500000000,  0.2646183100000000 ]
     mass: 15.999400
   - symbol: O  # 36
     coordinates: [  0.6084200800000000,  0.6755816500000000,  0.7646183100000000 ]
     mass: 15.999400
   - symbol: O  # 37
     coordinates: [  0.1031271600000000,  0.1635426700000000,  0.2292038700000000 ]
     mass: 15.999400
   - symbol: O  # 38
     coordinates: [  0.8968728400000000,  0.8364573300000000,  0.7292038700000000 ]
     mass: 15.999400
   - symbol: O  # 39
     coordinates: [  0.6031271600000000,  0.3364573300000000,  0.2292038700000000 ]
     mass: 15.999400
   - symbol: O  # 40
     coordinates: [  0.8968045400000000,  0.2120973500000000,  0.9671317500000000 ]
     mass: 15.999400
   - symbol: Ge # 41
     coordinates: [  0.8197069200000000,  0.0085230100000000,  0.9996912600000000 ]
     mass: 72.640000
   - symbol: Ge # 42
     coordinates: [  0.1802930800000000,  0.9914769900000000,  0.4996912600000000 ]
     mass: 72.640000
   - symbol: Ge # 43
     coordinates: [  0.3197069200000000,  0.4914769900000000,  0.9996912600000000 ]
     mass: 72.640000
   - symbol: Ge # 44
     coordinates: [  0.6802930800000000,  0.5085230100000000,  0.4996912600000000 ]
     mass: 72.640000
   - symbol: Ge # 45
     coordinates: [  0.5002251400000000,  0.8200804100000000,  0.7480129500000000 ]
     mass: 72.640000
   - symbol: Ge # 46
     coordinates: [  0.4997748600000000,  0.1799195900000000,  0.2480129500000000 ]
     mass: 72.640000
   - symbol: Ge # 47
     coordinates: [  0.0002251400000000,  0.6799195900000000,  0.7480129500000000 ]
     mass: 72.640000
   - symbol: Ge # 48
     coordinates: [  0.9997748600000000,  0.3200804100000000,  0.2480129500000000 ]
     mass: 72.640000
   - symbol: Rb # 49
     coordinates: [  0.8896322200000000,  0.1958185700000000,  0.5619934900000000 ]
     mass: 85.467800
   - symbol: Rb # 50
     coordinates: [  0.1103677800000000,  0.8041814300000000,  0.0619934900000000 ]
     mass: 85.467800
   - symbol: Rb # 51
     coordinates: [  0.3896322200000000,  0.3041814300000000,  0.5619934900000000 ]
     mass: 85.467800
   - symbol: Rb # 52
     coordinates: [  0.6103677800000000,  0.6958185700000000,  0.0619934900000000 ]
     mass: 85.467800
   - symbol: Rb # 53
     coordinates: [  0.6148548700000001,  0.2757614300000000,  0.8162072900000000 ]
     mass: 85.467800
   - symbol: Rb # 54
     coordinates: [  0.3851451300000000,  0.7242385700000000,  0.3162072900000000 ]
     mass: 85.467800
   - symbol: Rb # 55
     coordinates: [  0.1148548700000000,  0.2242385700000000,  0.8162072900000000 ]
     mass: 85.467800
   - symbol: Rb # 56
     coordinates: [  0.8851451299999999,  0.7757614300000000,  0.3162072900000000 ]
     mass: 85.467800
   - symbol: Sb # 57
     coordinates: [  0.7532436100000000,  0.7553279700000000,  0.7475248400000000 ]
     mass: 121.760000
   - symbol: Sb # 58
     coordinates: [  0.2467563900000000,  0.2446720300000000,  0.2475248400000000 ]
     mass: 121.760000
   - symbol: Sb # 59
     coordinates: [  0.2532436100000000,  0.7446720300000000,  0.7475248400000000 ]
     mass: 121.760000
   - symbol: Sb # 60
     coordinates: [  0.7467563900000000,  0.2553279700000000,  0.2475248400000000 ]
     mass: 121.760000
   - symbol: Sb # 61
     coordinates: [  0.6189363600000000,  0.0049476100000000,  0.5004090000000000 ]
     mass: 121.760000
   - symbol: Sb # 62
     coordinates: [  0.3810636400000000,  0.9950523900000000,  0.0004090000000000 ]
     mass: 121.760000
   - symbol: Sb # 63
     coordinates: [  0.1189363600000000,  0.4950523900000000,  0.5004090000000000 ]
     mass: 121.760000
   - symbol: Sb # 64
     coordinates: [  0.8810636400000000,  0.5049476100000000,  0.0004090000000000 ]
     mass: 121.760000
   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

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