Materials id 14488 / Li3In2(PO4)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-14488-20180417.tar.lzma <./mp-14488-20180417.tar.lzma>`
- Link to Materials Project: `https://www.materialsproject.org/materials/mp-14488/ <https://www.materialsproject.org/materials/mp-14488/>`_

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

.. image:: mp-14488-band.png

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

.. image:: mp-14488-dos.png

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

Imaginary modes are excluded if they exist.

.. image:: mp-14488-tprops.png

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

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

::

   lattice:
   - [     8.5795472900000007,     0.0000000000000000,    -0.0015118600000000 ] # a
   - [     0.0000000000000000,     8.9079689599999998,     0.0000000000000000 ] # b
   - [    -8.5882639699999999,     0.0000000000000000,    12.2613359099999997 ] # c
   points:
   - symbol: Li # 1
     coordinates: [  0.6430506600000000,  0.7834704300000001,  0.8200506700000000 ]
     mass: 6.941000
   - symbol: Li # 2
     coordinates: [  0.3569493400000000,  0.2834704300000000,  0.6799493300000000 ]
     mass: 6.941000
   - symbol: Li # 3
     coordinates: [  0.3569493400000000,  0.2165295700000000,  0.1799493300000000 ]
     mass: 6.941000
   - symbol: Li # 4
     coordinates: [  0.6430506600000000,  0.7165295699999999,  0.3200506700000000 ]
     mass: 6.941000
   - symbol: Li # 5
     coordinates: [  0.4132022500000000,  0.0103667700000000,  0.8483243600000000 ]
     mass: 6.941000
   - symbol: Li # 6
     coordinates: [  0.5867977500000000,  0.5103667700000000,  0.6516756400000000 ]
     mass: 6.941000
   - symbol: Li # 7
     coordinates: [  0.5867977500000000,  0.9896332300000000,  0.1516756400000000 ]
     mass: 6.941000
   - symbol: Li # 8
     coordinates: [  0.4132022500000000,  0.4896332300000000,  0.3483243600000000 ]
     mass: 6.941000
   - symbol: Li # 9
     coordinates: [  0.2316487200000000,  0.0843617300000000,  0.3156046100000000 ]
     mass: 6.941000
   - symbol: Li # 10
     coordinates: [  0.7683512800000000,  0.5843617300000000,  0.1843953900000000 ]
     mass: 6.941000
   - symbol: Li # 11
     coordinates: [  0.7683512800000000,  0.9156382700000000,  0.6843953900000000 ]
     mass: 6.941000
   - symbol: Li # 12
     coordinates: [  0.2316487200000000,  0.4156382700000000,  0.8156046100000000 ]
     mass: 6.941000
   - symbol: O  # 13
     coordinates: [  0.0666159900000000,  0.2069777300000000,  0.1837664700000000 ]
     mass: 15.999400
   - symbol: O  # 14
     coordinates: [  0.9333840100000000,  0.7069777300000000,  0.3162335300000000 ]
     mass: 15.999400
   - symbol: O  # 15
     coordinates: [  0.9333840100000000,  0.7930222700000000,  0.8162335300000000 ]
     mass: 15.999400
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     coordinates: [  0.0666159900000000,  0.2930222700000000,  0.6837664700000000 ]
     mass: 15.999400
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     coordinates: [  0.2549611100000000,  0.0777765500000000,  0.6953074800000000 ]
     mass: 15.999400
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     coordinates: [  0.7450388900000000,  0.5777765500000001,  0.8046925200000000 ]
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   - symbol: O  # 19
     coordinates: [  0.7450388900000000,  0.9222234499999999,  0.3046925200000000 ]
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     coordinates: [  0.6500060200000000,  0.1704948000000000,  0.0993268900000000 ]
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     coordinates: [  0.3499939800000000,  0.6704947999999999,  0.4006731100000000 ]
     mass: 15.999400
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     coordinates: [  0.3499939800000000,  0.8295052000000001,  0.9006731100000001 ]
     mass: 15.999400
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     coordinates: [  0.6500060200000000,  0.3295052000000000,  0.5993268899999999 ]
     mass: 15.999400
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     coordinates: [  0.5104752100000000,  0.8731264300000000,  0.5520222900000000 ]
     mass: 15.999400
   - symbol: O  # 26
     coordinates: [  0.4895247900000000,  0.3731264300000000,  0.9479777100000000 ]
     mass: 15.999400
   - symbol: O  # 27
     coordinates: [  0.4895247900000000,  0.1268735700000000,  0.4479777100000000 ]
     mass: 15.999400
   - symbol: O  # 28
     coordinates: [  0.5104752100000000,  0.6268735700000000,  0.0520222900000000 ]
     mass: 15.999400
   - symbol: O  # 29
     coordinates: [  0.6345409900000000,  0.9946173200000000,  0.7497182700000000 ]
     mass: 15.999400
   - symbol: O  # 30
     coordinates: [  0.3654590100000000,  0.4946173200000000,  0.7502817300000000 ]
     mass: 15.999400
   - symbol: O  # 31
     coordinates: [  0.3654590100000000,  0.0053826800000000,  0.2502817300000000 ]
     mass: 15.999400
   - symbol: O  # 32
     coordinates: [  0.6345409900000000,  0.5053826800000000,  0.2497182700000000 ]
     mass: 15.999400
   - symbol: O  # 33
     coordinates: [  0.3706045000000000,  0.7634289200000000,  0.6945981500000000 ]
     mass: 15.999400
   - symbol: O  # 34
     coordinates: [  0.6293955000000000,  0.2634289200000000,  0.8054018500000000 ]
     mass: 15.999400
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     coordinates: [  0.6293955000000000,  0.2365710800000000,  0.3054018500000000 ]
     mass: 15.999400
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     coordinates: [  0.3706045000000000,  0.7365710800000000,  0.1945981500000000 ]
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   - symbol: O  # 37
     coordinates: [  0.6876902100000000,  0.0440450000000000,  0.9273486200000000 ]
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     coordinates: [  0.3123097900000000,  0.5440450000000000,  0.5726513800000000 ]
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     coordinates: [  0.3123097900000000,  0.9559550000000000,  0.0726513800000000 ]
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     coordinates: [  0.6876902100000000,  0.4559550000000000,  0.4273486200000000 ]
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   - symbol: O  # 41
     coordinates: [  0.0087671900000000,  0.9714601400000000,  0.2787942200000000 ]
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     coordinates: [  0.9912328100000000,  0.4714601400000000,  0.2212057800000000 ]
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     coordinates: [  0.9912328100000000,  0.0285398600000000,  0.7212057800000000 ]
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     coordinates: [  0.6360691600000000,  0.8103646700000000,  0.4392236500000000 ]
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     coordinates: [  0.3639308400000000,  0.3103646700000000,  0.0607763500000000 ]
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     coordinates: [  0.0565032800000000,  0.8824591100000000,  0.1005290000000000 ]
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   - symbol: O  # 50
     coordinates: [  0.9434967200000000,  0.3824591100000000,  0.3994710000000000 ]
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   - symbol: O  # 51
     coordinates: [  0.9434967200000000,  0.1175408900000000,  0.8994710000000000 ]
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   - symbol: O  # 52
     coordinates: [  0.0565032800000000,  0.6175408900000000,  0.6005290000000000 ]
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   - symbol: O  # 53
     coordinates: [  0.6728280200000000,  0.8643637100000000,  0.0829752200000000 ]
     mass: 15.999400
   - symbol: O  # 54
     coordinates: [  0.3271719800000000,  0.3643637100000000,  0.4170247800000000 ]
     mass: 15.999400
   - symbol: O  # 55
     coordinates: [  0.3271719800000000,  0.1356362900000000,  0.9170247800000000 ]
     mass: 15.999400
   - symbol: O  # 56
     coordinates: [  0.6728280200000000,  0.6356362900000000,  0.5829752200000000 ]
     mass: 15.999400
   - symbol: O  # 57
     coordinates: [  0.0891656100000000,  0.8981715900000000,  0.4649005300000000 ]
     mass: 15.999400
   - symbol: O  # 58
     coordinates: [  0.9108343900000000,  0.3981715900000000,  0.0350994700000000 ]
     mass: 15.999400
   - symbol: O  # 59
     coordinates: [  0.9108343900000000,  0.1018284100000000,  0.5350994700000000 ]
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   - symbol: O  # 60
     coordinates: [  0.0891656100000000,  0.6018284100000000,  0.9649005300000000 ]
     mass: 15.999400
   - symbol: P  # 61
     coordinates: [  0.5365274100000000,  0.7525667100000000,  0.9911461900000000 ]
     mass: 30.973762
   - symbol: P  # 62
     coordinates: [  0.4634725900000000,  0.2525667100000000,  0.5088538100000000 ]
     mass: 30.973762
   - symbol: P  # 63
     coordinates: [  0.4634725900000000,  0.2474332900000000,  0.0088538100000000 ]
     mass: 30.973762
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     coordinates: [  0.5365274100000000,  0.7474332900000000,  0.4911461900000000 ]
     mass: 30.973762
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     coordinates: [  0.9521492000000000,  0.8781520700000000,  0.3422878100000000 ]
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     coordinates: [  0.0478508000000000,  0.1218479300000000,  0.6577121900000000 ]
     mass: 30.973762
   - symbol: P  # 68
     coordinates: [  0.9521492000000000,  0.6218479300000000,  0.8422878100000000 ]
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     coordinates: [  0.7298109699999999,  0.1092101500000000,  0.8462443500000000 ]
     mass: 30.973762
   - symbol: P  # 70
     coordinates: [  0.2701890300000000,  0.6092101500000000,  0.6537556500000000 ]
     mass: 30.973762
   - symbol: P  # 71
     coordinates: [  0.2701890300000000,  0.8907898500000000,  0.1537556500000000 ]
     mass: 30.973762
   - symbol: P  # 72
     coordinates: [  0.7298109699999999,  0.3907898500000000,  0.3462443500000000 ]
     mass: 30.973762
   - symbol: In # 73
     coordinates: [  0.3438873800000000,  0.9632484300000000,  0.6032394300000000 ]
     mass: 114.818000
   - symbol: In # 74
     coordinates: [  0.6561126200000000,  0.4632484300000000,  0.8967605700000000 ]
     mass: 114.818000
   - symbol: In # 75
     coordinates: [  0.6561126200000000,  0.0367515700000000,  0.3967605700000000 ]
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   - symbol: In # 76
     coordinates: [  0.3438873800000000,  0.5367515700000000,  0.1032394300000000 ]
     mass: 114.818000
   - symbol: In # 77
     coordinates: [  0.8649650200000000,  0.0306313000000000,  0.1019941900000000 ]
     mass: 114.818000
   - symbol: In # 78
     coordinates: [  0.1350349800000000,  0.5306313000000000,  0.3980058100000000 ]
     mass: 114.818000
   - symbol: In # 79
     coordinates: [  0.1350349800000000,  0.9693687000000000,  0.8980058100000000 ]
     mass: 114.818000
   - symbol: In # 80
     coordinates: [  0.8649650200000000,  0.4693687000000000,  0.6019941900000000 ]
     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