Materials id 4825 / Li7VN4 / P-43n (218)
==============================================================================

- Date page updated: 2018-4-17
- Space group type: P-43n (218) / P -4n 2 3
- Number of formula units (Z): 8
- Phonon raw data: :download:`mp-4825-20180417.tar.lzma <./mp-4825-20180417.tar.lzma>`
- Link to Materials Project: `https://www.materialsproject.org/materials/mp-4825/ <https://www.materialsproject.org/materials/mp-4825/>`_

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

.. image:: mp-4825-band.png

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

.. image:: mp-4825-dos.png

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

Imaginary modes are excluded if they exist.

.. image:: mp-4825-tprops.png

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

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

::

   lattice:
   - [     9.5091497399999998,     0.0000000000000000,     0.0000000000000000 ] # a
   - [     0.0000000000000000,     9.5091497399999998,     0.0000000000000000 ] # b
   - [     0.0000000000000000,     0.0000000000000000,     9.5091497399999998 ] # c
   points:
   - symbol: Li # 1
     coordinates: [  0.5157045800000000,  0.7367358700000000,  0.7504366099999999 ]
     mass: 6.941000
   - symbol: Li # 2
     coordinates: [  0.5157045800000000,  0.2632641300000000,  0.2495633900000000 ]
     mass: 6.941000
   - symbol: Li # 3
     coordinates: [  0.7367358700000000,  0.7504366099999999,  0.5157045800000000 ]
     mass: 6.941000
   - symbol: Li # 4
     coordinates: [  0.2632641300000000,  0.7504366099999999,  0.4842954200000000 ]
     mass: 6.941000
   - symbol: Li # 5
     coordinates: [  0.7504366099999999,  0.5157045800000000,  0.7367358700000000 ]
     mass: 6.941000
   - symbol: Li # 6
     coordinates: [  0.2495633900000000,  0.4842954200000000,  0.7367358700000000 ]
     mass: 6.941000
   - symbol: Li # 7
     coordinates: [  0.9842954200000000,  0.7495633900000001,  0.2367358700000000 ]
     mass: 6.941000
   - symbol: Li # 8
     coordinates: [  0.9842954200000000,  0.2504366100000000,  0.7632641300000000 ]
     mass: 6.941000
   - symbol: Li # 9
     coordinates: [  0.0157045800000000,  0.7495633900000001,  0.7632641300000000 ]
     mass: 6.941000
   - symbol: Li # 10
     coordinates: [  0.2504366100000000,  0.7632641300000000,  0.9842954200000000 ]
     mass: 6.941000
   - symbol: Li # 11
     coordinates: [  0.7632641300000000,  0.0157045800000000,  0.7495633900000001 ]
     mass: 6.941000
   - symbol: Li # 12
     coordinates: [  0.7632641300000000,  0.9842954200000000,  0.2504366100000000 ]
     mass: 6.941000
   - symbol: Li # 13
     coordinates: [  0.7495633900000001,  0.2367358700000000,  0.9842954200000000 ]
     mass: 6.941000
   - symbol: Li # 14
     coordinates: [  0.2367358700000000,  0.9842954200000000,  0.7495633900000001 ]
     mass: 6.941000
   - symbol: Li # 15
     coordinates: [  0.7495633900000001,  0.7632641300000000,  0.0157045800000000 ]
     mass: 6.941000
   - symbol: Li # 16
     coordinates: [  0.2504366100000000,  0.2367358700000000,  0.0157045800000000 ]
     mass: 6.941000
   - symbol: Li # 17
     coordinates: [  0.2367358700000000,  0.0157045800000000,  0.2504366100000000 ]
     mass: 6.941000
   - symbol: Li # 18
     coordinates: [  0.2495633900000000,  0.5157045800000000,  0.2632641300000000 ]
     mass: 6.941000
   - symbol: Li # 19
     coordinates: [  0.7504366099999999,  0.4842954200000000,  0.2632641300000000 ]
     mass: 6.941000
   - symbol: Li # 20
     coordinates: [  0.7367358700000000,  0.2495633900000000,  0.4842954200000000 ]
     mass: 6.941000
   - symbol: Li # 21
     coordinates: [  0.2632641300000000,  0.2495633900000000,  0.5157045800000000 ]
     mass: 6.941000
   - symbol: Li # 22
     coordinates: [  0.4842954200000000,  0.2632641300000000,  0.7504366099999999 ]
     mass: 6.941000
   - symbol: Li # 23
     coordinates: [  0.4842954200000000,  0.7367358700000000,  0.2495633900000000 ]
     mass: 6.941000
   - symbol: Li # 24
     coordinates: [  0.5000000000000000,  0.2500000000000000,  0.0000000000000000 ]
     mass: 6.941000
   - symbol: Li # 25
     coordinates: [  0.0157045800000000,  0.2504366100000000,  0.2367358700000000 ]
     mass: 6.941000
   - symbol: Li # 26
     coordinates: [  0.7347446200000000,  0.2652553800000000,  0.7347446200000000 ]
     mass: 6.941000
   - symbol: Li # 27
     coordinates: [  0.2652553800000000,  0.7347446200000000,  0.7347446200000000 ]
     mass: 6.941000
   - symbol: Li # 28
     coordinates: [  0.7347446200000000,  0.7347446200000000,  0.2652553800000000 ]
     mass: 6.941000
   - symbol: Li # 29
     coordinates: [  0.7652553800000000,  0.2347446200000000,  0.2347446200000000 ]
     mass: 6.941000
   - symbol: Li # 30
     coordinates: [  0.2347446200000000,  0.2347446200000000,  0.7652553800000000 ]
     mass: 6.941000
   - symbol: Li # 31
     coordinates: [  0.2347446200000000,  0.7652553800000000,  0.2347446200000000 ]
     mass: 6.941000
   - symbol: Li # 32
     coordinates: [  0.2652553800000000,  0.2652553800000000,  0.2652553800000000 ]
     mass: 6.941000
   - symbol: Li # 33
     coordinates: [  0.0000000000000000,  0.5000000000000000,  0.0000000000000000 ]
     mass: 6.941000
   - symbol: Li # 34
     coordinates: [  0.5000000000000000,  0.0000000000000000,  0.0000000000000000 ]
     mass: 6.941000
   - symbol: Li # 35
     coordinates: [  0.5000000000000000,  0.5000000000000000,  0.0000000000000000 ]
     mass: 6.941000
   - symbol: Li # 36
     coordinates: [  0.0000000000000000,  0.5000000000000000,  0.5000000000000000 ]
     mass: 6.941000
   - symbol: Li # 37
     coordinates: [  0.5000000000000000,  0.0000000000000000,  0.5000000000000000 ]
     mass: 6.941000
   - symbol: Li # 38
     coordinates: [  0.0000000000000000,  0.0000000000000000,  0.5000000000000000 ]
     mass: 6.941000
   - symbol: Li # 39
     coordinates: [  0.7500000000000000,  0.0000000000000000,  0.5000000000000000 ]
     mass: 6.941000
   - symbol: Li # 40
     coordinates: [  0.5000000000000000,  0.7500000000000000,  0.0000000000000000 ]
     mass: 6.941000
   - symbol: Li # 41
     coordinates: [  0.2351193300000000,  0.5000000000000000,  0.5000000000000000 ]
     mass: 6.941000
   - symbol: Li # 42
     coordinates: [  0.2648806700000000,  0.0000000000000000,  0.0000000000000000 ]
     mass: 6.941000
   - symbol: Li # 43
     coordinates: [  0.0000000000000000,  0.0000000000000000,  0.7351193300000000 ]
     mass: 6.941000
   - symbol: Li # 44
     coordinates: [  0.0000000000000000,  0.0000000000000000,  0.2648806700000000 ]
     mass: 6.941000
   - symbol: Li # 45
     coordinates: [  0.0000000000000000,  0.2648806700000000,  0.0000000000000000 ]
     mass: 6.941000
   - symbol: Li # 46
     coordinates: [  0.0000000000000000,  0.7351193300000000,  0.0000000000000000 ]
     mass: 6.941000
   - symbol: Li # 47
     coordinates: [  0.5000000000000000,  0.2351193300000000,  0.5000000000000000 ]
     mass: 6.941000
   - symbol: Li # 48
     coordinates: [  0.5000000000000000,  0.5000000000000000,  0.2351193300000000 ]
     mass: 6.941000
   - symbol: Li # 49
     coordinates: [  0.5000000000000000,  0.7648806700000000,  0.5000000000000000 ]
     mass: 6.941000
   - symbol: Li # 50
     coordinates: [  0.5000000000000000,  0.5000000000000000,  0.7648806700000000 ]
     mass: 6.941000
   - symbol: Li # 51
     coordinates: [  0.7648806700000000,  0.5000000000000000,  0.5000000000000000 ]
     mass: 6.941000
   - symbol: Li # 52
     coordinates: [  0.7351193300000000,  0.0000000000000000,  0.0000000000000000 ]
     mass: 6.941000
   - symbol: Li # 53
     coordinates: [  0.2500000000000000,  0.0000000000000000,  0.5000000000000000 ]
     mass: 6.941000
   - symbol: Li # 54
     coordinates: [  0.0000000000000000,  0.5000000000000000,  0.7500000000000000 ]
     mass: 6.941000
   - symbol: Li # 55
     coordinates: [  0.0000000000000000,  0.5000000000000000,  0.2500000000000000 ]
     mass: 6.941000
   - symbol: Li # 56
     coordinates: [  0.7652553800000000,  0.7652553800000000,  0.7652553800000000 ]
     mass: 6.941000
   - symbol: N  # 57
     coordinates: [  0.6163482800000000,  0.8914367200000000,  0.6417703500000000 ]
     mass: 14.006700
   - symbol: N  # 58
     coordinates: [  0.6163482800000000,  0.1085632800000000,  0.3582296500000000 ]
     mass: 14.006700
   - symbol: N  # 59
     coordinates: [  0.8914367200000000,  0.6417703500000000,  0.6163482800000000 ]
     mass: 14.006700
   - symbol: N  # 60
     coordinates: [  0.1085632800000000,  0.6417703500000000,  0.3836517200000000 ]
     mass: 14.006700
   - symbol: N  # 61
     coordinates: [  0.6417703500000000,  0.6163482800000000,  0.8914367200000000 ]
     mass: 14.006700
   - symbol: N  # 62
     coordinates: [  0.3582296500000000,  0.3836517200000000,  0.8914367200000000 ]
     mass: 14.006700
   - symbol: N  # 63
     coordinates: [  0.8836517200000000,  0.8582296500000000,  0.3914367200000000 ]
     mass: 14.006700
   - symbol: N  # 64
     coordinates: [  0.8836517200000000,  0.1417703500000000,  0.6085632800000000 ]
     mass: 14.006700
   - symbol: N  # 65
     coordinates: [  0.1163482800000000,  0.8582296500000000,  0.6085632800000000 ]
     mass: 14.006700
   - symbol: N  # 66
     coordinates: [  0.1417703500000000,  0.6085632800000000,  0.8836517200000000 ]
     mass: 14.006700
   - symbol: N  # 67
     coordinates: [  0.6085632800000000,  0.1163482800000000,  0.8582296500000000 ]
     mass: 14.006700
   - symbol: N  # 68
     coordinates: [  0.6085632800000000,  0.8836517200000000,  0.1417703500000000 ]
     mass: 14.006700
   - symbol: N  # 69
     coordinates: [  0.8582296500000000,  0.3914367200000000,  0.8836517200000000 ]
     mass: 14.006700
   - symbol: N  # 70
     coordinates: [  0.3914367200000000,  0.8836517200000000,  0.8582296500000000 ]
     mass: 14.006700
   - symbol: N  # 71
     coordinates: [  0.8582296500000000,  0.6085632800000000,  0.1163482800000000 ]
     mass: 14.006700
   - symbol: N  # 72
     coordinates: [  0.1417703500000000,  0.3914367200000000,  0.1163482800000000 ]
     mass: 14.006700
   - symbol: N  # 73
     coordinates: [  0.3914367200000000,  0.1163482800000000,  0.1417703500000000 ]
     mass: 14.006700
   - symbol: N  # 74
     coordinates: [  0.3582296500000000,  0.6163482800000000,  0.1085632800000000 ]
     mass: 14.006700
   - symbol: N  # 75
     coordinates: [  0.6417703500000000,  0.3836517200000000,  0.1085632800000000 ]
     mass: 14.006700
   - symbol: N  # 76
     coordinates: [  0.8914367200000000,  0.3582296500000000,  0.3836517200000000 ]
     mass: 14.006700
   - symbol: N  # 77
     coordinates: [  0.1085632800000000,  0.3582296500000000,  0.6163482800000000 ]
     mass: 14.006700
   - symbol: N  # 78
     coordinates: [  0.3836517200000000,  0.1085632800000000,  0.6417703500000000 ]
     mass: 14.006700
   - symbol: N  # 79
     coordinates: [  0.3836517200000000,  0.8914367200000000,  0.3582296500000000 ]
     mass: 14.006700
   - symbol: N  # 80
     coordinates: [  0.1163482800000000,  0.1417703500000000,  0.3914367200000000 ]
     mass: 14.006700
   - symbol: N  # 81
     coordinates: [  0.8892580800000000,  0.8892580800000000,  0.8892580800000000 ]
     mass: 14.006700
   - symbol: N  # 82
     coordinates: [  0.6107419200000000,  0.3892580800000000,  0.6107419200000000 ]
     mass: 14.006700
   - symbol: N  # 83
     coordinates: [  0.3892580800000000,  0.6107419200000000,  0.6107419200000000 ]
     mass: 14.006700
   - symbol: N  # 84
     coordinates: [  0.6107419200000000,  0.6107419200000000,  0.3892580800000000 ]
     mass: 14.006700
   - symbol: N  # 85
     coordinates: [  0.8892580800000000,  0.1107419200000000,  0.1107419200000000 ]
     mass: 14.006700
   - symbol: N  # 86
     coordinates: [  0.1107419200000000,  0.1107419200000000,  0.8892580800000000 ]
     mass: 14.006700
   - symbol: N  # 87
     coordinates: [  0.1107419200000000,  0.8892580800000000,  0.1107419200000000 ]
     mass: 14.006700
   - symbol: N  # 88
     coordinates: [  0.3892580800000000,  0.3892580800000000,  0.3892580800000000 ]
     mass: 14.006700
   - symbol: V  # 89
     coordinates: [  0.7500000000000000,  0.5000000000000000,  0.0000000000000000 ]
     mass: 50.941500
   - symbol: V  # 90
     coordinates: [  0.0000000000000000,  0.7500000000000000,  0.5000000000000000 ]
     mass: 50.941500
   - symbol: V  # 91
     coordinates: [  0.0000000000000000,  0.2500000000000000,  0.5000000000000000 ]
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     coordinates: [  0.5000000000000000,  0.0000000000000000,  0.2500000000000000 ]
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     mass: 50.941500
   - symbol: V  # 94
     coordinates: [  0.2500000000000000,  0.5000000000000000,  0.0000000000000000 ]
     mass: 50.941500
   - symbol: V  # 95
     coordinates: [  0.5000000000000000,  0.5000000000000000,  0.5000000000000000 ]
     mass: 50.941500
   - symbol: V  # 96
     coordinates: [  0.0000000000000000,  0.0000000000000000,  0.0000000000000000 ]
     mass: 50.941500
   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

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