Materials id 14493 / Na5InO4 / Pbca (61)
==============================================================================

- Date page updated: 2018-4-17
- Space group type: Pbca (61) / -P 2ac 2ab
- Number of formula units (Z): 8
- Phonon raw data: :download:`mp-14493-20180417.tar.lzma <./mp-14493-20180417.tar.lzma>`
- Link to Materials Project: `https://www.materialsproject.org/materials/mp-14493/ <https://www.materialsproject.org/materials/mp-14493/>`_

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

.. image:: mp-14493-band.png

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

.. image:: mp-14493-dos.png

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

Imaginary modes are excluded if they exist.

.. image:: mp-14493-tprops.png

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

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

::

   lattice:
   - [    10.5606366699999992,     0.0000000000000000,     0.0000000000000000 ] # a
   - [     0.0000000000000000,    10.7688147700000005,     0.0000000000000000 ] # b
   - [     0.0000000000000000,     0.0000000000000000,    10.6989602099999992 ] # c
   points:
   - symbol: O  # 1
     coordinates: [  0.5102842600000000,  0.0118400500000000,  0.7474319500000000 ]
     mass: 15.999400
   - symbol: O  # 2
     coordinates: [  0.0102842600000000,  0.4881599500000000,  0.2525680500000000 ]
     mass: 15.999400
   - symbol: O  # 3
     coordinates: [  0.9897157400000000,  0.9881599500000000,  0.2474319500000000 ]
     mass: 15.999400
   - symbol: O  # 4
     coordinates: [  0.4897157400000000,  0.5118400500000000,  0.7525680500000000 ]
     mass: 15.999400
   - symbol: O  # 5
     coordinates: [  0.4897157400000000,  0.9881599500000000,  0.2525680500000000 ]
     mass: 15.999400
   - symbol: O  # 6
     coordinates: [  0.9897157400000000,  0.5118400500000000,  0.7474319500000000 ]
     mass: 15.999400
   - symbol: O  # 7
     coordinates: [  0.0102842600000000,  0.0118400500000000,  0.7525680500000000 ]
     mass: 15.999400
   - symbol: O  # 8
     coordinates: [  0.5102842600000000,  0.4881599500000000,  0.2474319500000000 ]
     mass: 15.999400
   - symbol: O  # 9
     coordinates: [  0.2374469400000000,  0.5440752000000000,  0.5149133900000000 ]
     mass: 15.999400
   - symbol: O  # 10
     coordinates: [  0.7374469400000000,  0.9559248000000000,  0.4850866100000000 ]
     mass: 15.999400
   - symbol: O  # 11
     coordinates: [  0.2625530600000000,  0.4559248000000000,  0.0149133900000000 ]
     mass: 15.999400
   - symbol: O  # 12
     coordinates: [  0.7625530600000000,  0.0440752000000000,  0.9850866100000000 ]
     mass: 15.999400
   - symbol: O  # 13
     coordinates: [  0.7625530600000000,  0.4559248000000000,  0.4850866100000000 ]
     mass: 15.999400
   - symbol: O  # 14
     coordinates: [  0.2625530600000000,  0.0440752000000000,  0.5149133900000000 ]
     mass: 15.999400
   - symbol: O  # 15
     coordinates: [  0.7374469400000000,  0.5440752000000000,  0.9850866100000000 ]
     mass: 15.999400
   - symbol: O  # 16
     coordinates: [  0.2374469400000000,  0.9559248000000000,  0.0149133900000000 ]
     mass: 15.999400
   - symbol: O  # 17
     coordinates: [  0.7681312700000000,  0.2569641800000000,  0.2524100200000000 ]
     mass: 15.999400
   - symbol: O  # 18
     coordinates: [  0.2681312700000000,  0.2430358200000000,  0.7475899800000000 ]
     mass: 15.999400
   - symbol: O  # 19
     coordinates: [  0.7318687300000000,  0.7430358200000000,  0.7524100200000000 ]
     mass: 15.999400
   - symbol: O  # 20
     coordinates: [  0.2318687300000000,  0.7569641800000000,  0.2475899800000000 ]
     mass: 15.999400
   - symbol: O  # 21
     coordinates: [  0.2318687300000000,  0.7430358200000000,  0.7475899800000000 ]
     mass: 15.999400
   - symbol: O  # 22
     coordinates: [  0.7318687300000000,  0.7569641800000000,  0.2524100200000000 ]
     mass: 15.999400
   - symbol: O  # 23
     coordinates: [  0.2681312700000000,  0.2569641800000000,  0.2475899800000000 ]
     mass: 15.999400
   - symbol: O  # 24
     coordinates: [  0.7681312700000000,  0.2430358200000000,  0.7524100200000000 ]
     mass: 15.999400
   - symbol: O  # 25
     coordinates: [  0.9997452300000000,  0.2557718900000000,  0.4563879500000000 ]
     mass: 15.999400
   - symbol: O  # 26
     coordinates: [  0.4997452300000000,  0.2442281100000000,  0.5436120500000000 ]
     mass: 15.999400
   - symbol: O  # 27
     coordinates: [  0.5002547700000000,  0.7442281100000000,  0.9563879500000000 ]
     mass: 15.999400
   - symbol: O  # 28
     coordinates: [  0.0002547700000000,  0.7557718900000000,  0.0436120500000000 ]
     mass: 15.999400
   - symbol: O  # 29
     coordinates: [  0.0002547700000000,  0.7442281100000000,  0.5436120500000000 ]
     mass: 15.999400
   - symbol: O  # 30
     coordinates: [  0.5002547700000000,  0.7557718900000000,  0.4563879500000000 ]
     mass: 15.999400
   - symbol: O  # 31
     coordinates: [  0.4997452300000000,  0.2557718900000000,  0.0436120500000000 ]
     mass: 15.999400
   - symbol: O  # 32
     coordinates: [  0.9997452300000000,  0.2442281100000000,  0.9563879500000000 ]
     mass: 15.999400
   - symbol: Na # 33
     coordinates: [  0.1033967500000000,  0.3382712900000000,  0.1191873800000000 ]
     mass: 22.989769
   - symbol: Na # 34
     coordinates: [  0.6033967500000000,  0.1617287100000000,  0.8808126200000000 ]
     mass: 22.989769
   - symbol: Na # 35
     coordinates: [  0.3966032500000000,  0.6617287100000000,  0.6191873800000000 ]
     mass: 22.989769
   - symbol: Na # 36
     coordinates: [  0.8966032500000000,  0.8382712900000000,  0.3808126200000000 ]
     mass: 22.989769
   - symbol: Na # 37
     coordinates: [  0.8966032500000000,  0.6617287100000000,  0.8808126200000000 ]
     mass: 22.989769
   - symbol: Na # 38
     coordinates: [  0.3966032500000000,  0.8382712900000000,  0.1191873800000000 ]
     mass: 22.989769
   - symbol: Na # 39
     coordinates: [  0.6033967500000000,  0.3382712900000000,  0.3808126200000000 ]
     mass: 22.989769
   - symbol: Na # 40
     coordinates: [  0.1033967500000000,  0.1617287100000000,  0.6191873800000000 ]
     mass: 22.989769
   - symbol: Na # 41
     coordinates: [  0.6432689600000000,  0.8966805000000000,  0.8870339500000000 ]
     mass: 22.989769
   - symbol: Na # 42
     coordinates: [  0.1432689600000000,  0.6033195000000000,  0.1129660500000000 ]
     mass: 22.989769
   - symbol: Na # 43
     coordinates: [  0.8567310400000000,  0.1033195000000000,  0.3870339500000000 ]
     mass: 22.989769
   - symbol: Na # 44
     coordinates: [  0.3567310400000000,  0.3966805000000000,  0.6129660500000000 ]
     mass: 22.989769
   - symbol: Na # 45
     coordinates: [  0.3567310400000000,  0.1033195000000000,  0.1129660500000000 ]
     mass: 22.989769
   - symbol: Na # 46
     coordinates: [  0.8567310400000000,  0.3966805000000000,  0.8870339500000000 ]
     mass: 22.989769
   - symbol: Na # 47
     coordinates: [  0.1432689600000000,  0.8966805000000000,  0.6129660500000000 ]
     mass: 22.989769
   - symbol: Na # 48
     coordinates: [  0.6432689600000000,  0.6033195000000000,  0.3870339500000000 ]
     mass: 22.989769
   - symbol: Na # 49
     coordinates: [  0.5945567000000000,  0.8526759300000000,  0.6242685800000000 ]
     mass: 22.989769
   - symbol: Na # 50
     coordinates: [  0.0945567000000000,  0.6473240700000000,  0.3757314200000000 ]
     mass: 22.989769
   - symbol: Na # 51
     coordinates: [  0.9054433000000000,  0.1473240700000000,  0.1242685800000000 ]
     mass: 22.989769
   - symbol: Na # 52
     coordinates: [  0.4054433000000000,  0.3526759300000000,  0.8757314200000000 ]
     mass: 22.989769
   - symbol: Na # 53
     coordinates: [  0.4054433000000000,  0.1473240700000000,  0.3757314200000000 ]
     mass: 22.989769
   - symbol: Na # 54
     coordinates: [  0.9054433000000000,  0.3526759300000000,  0.6242685800000000 ]
     mass: 22.989769
   - symbol: Na # 55
     coordinates: [  0.0945567000000000,  0.8526759300000000,  0.8757314200000000 ]
     mass: 22.989769
   - symbol: Na # 56
     coordinates: [  0.5945567000000000,  0.6473240700000000,  0.1242685800000000 ]
     mass: 22.989769
   - symbol: Na # 57
     coordinates: [  0.6666797600000000,  0.3827260700000000,  0.1064900600000000 ]
     mass: 22.989769
   - symbol: Na # 58
     coordinates: [  0.1666797600000000,  0.1172739300000000,  0.8935099399999999 ]
     mass: 22.989769
   - symbol: Na # 59
     coordinates: [  0.8333202400000000,  0.6172739300000000,  0.6064900600000001 ]
     mass: 22.989769
   - symbol: Na # 60
     coordinates: [  0.3333202400000000,  0.8827260700000000,  0.3935099400000000 ]
     mass: 22.989769
   - symbol: Na # 61
     coordinates: [  0.3333202400000000,  0.6172739300000000,  0.8935099399999999 ]
     mass: 22.989769
   - symbol: Na # 62
     coordinates: [  0.8333202400000000,  0.8827260700000000,  0.1064900600000000 ]
     mass: 22.989769
   - symbol: Na # 63
     coordinates: [  0.1666797600000000,  0.3827260700000000,  0.3935099400000000 ]
     mass: 22.989769
   - symbol: Na # 64
     coordinates: [  0.6666797600000000,  0.1172739300000000,  0.6064900600000001 ]
     mass: 22.989769
   - symbol: Na # 65
     coordinates: [  0.1322945000000000,  0.3819481300000000,  0.8492946700000000 ]
     mass: 22.989769
   - symbol: Na # 66
     coordinates: [  0.6322945000000000,  0.1180518700000000,  0.1507053300000000 ]
     mass: 22.989769
   - symbol: Na # 67
     coordinates: [  0.3677055000000000,  0.6180518699999999,  0.3492946700000000 ]
     mass: 22.989769
   - symbol: Na # 68
     coordinates: [  0.8677055000000000,  0.8819481300000001,  0.6507053300000000 ]
     mass: 22.989769
   - symbol: Na # 69
     coordinates: [  0.8677055000000000,  0.6180518699999999,  0.1507053300000000 ]
     mass: 22.989769
   - symbol: Na # 70
     coordinates: [  0.3677055000000000,  0.8819481300000001,  0.8492946700000000 ]
     mass: 22.989769
   - symbol: Na # 71
     coordinates: [  0.6322945000000000,  0.3819481300000000,  0.6507053300000000 ]
     mass: 22.989769
   - symbol: Na # 72
     coordinates: [  0.1322945000000000,  0.1180518700000000,  0.3492946700000000 ]
     mass: 22.989769
   - symbol: In # 73
     coordinates: [  0.8849690700000000,  0.3781353200000000,  0.3523805200000000 ]
     mass: 114.818000
   - symbol: In # 74
     coordinates: [  0.3849690700000000,  0.1218646800000000,  0.6476194800000000 ]
     mass: 114.818000
   - symbol: In # 75
     coordinates: [  0.6150309300000000,  0.6218646799999999,  0.8523805200000000 ]
     mass: 114.818000
   - symbol: In # 76
     coordinates: [  0.1150309300000000,  0.8781353200000001,  0.1476194800000000 ]
     mass: 114.818000
   - symbol: In # 77
     coordinates: [  0.1150309300000000,  0.6218646799999999,  0.6476194800000000 ]
     mass: 114.818000
   - symbol: In # 78
     coordinates: [  0.6150309300000000,  0.8781353200000001,  0.3523805200000000 ]
     mass: 114.818000
   - symbol: In # 79
     coordinates: [  0.3849690700000000,  0.3781353200000000,  0.1476194800000000 ]
     mass: 114.818000
   - symbol: In # 80
     coordinates: [  0.8849690700000000,  0.1218646800000000,  0.8523805200000000 ]
     mass: 114.818000
   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

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