Materials id 14389 / Na3AlP8O23 / P4_132 (213)
==============================================================================

- Date page updated: 2018-4-17
- Space group type: P4_132 (213) / P 4bd 2ab 3
- Number of formula units (Z): 4
- Phonon raw data: :download:`mp-14389-20180417.tar.lzma <./mp-14389-20180417.tar.lzma>`
- Link to Materials Project: `https://www.materialsproject.org/materials/mp-14389/ <https://www.materialsproject.org/materials/mp-14389/>`_

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

.. image:: mp-14389-band.png

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

.. image:: mp-14389-dos.png

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

Imaginary modes are excluded if they exist.

.. image:: mp-14389-tprops.png

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

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

::

   lattice:
   - [    11.9350752100000008,     0.0000000000000000,     0.0000000000000000 ] # a
   - [     0.0000000000000000,    11.9350752100000008,     0.0000000000000000 ] # b
   - [     0.0000000000000000,     0.0000000000000000,    11.9350752100000008 ] # c
   points:
   - symbol: O  # 1
     coordinates: [  0.6592701900000000,  0.6592701900000000,  0.6592701900000000 ]
     mass: 15.999400
   - symbol: O  # 2
     coordinates: [  0.9092701900000000,  0.5907298100000000,  0.4092701900000000 ]
     mass: 15.999400
   - symbol: O  # 3
     coordinates: [  0.5907298100000000,  0.4092701900000000,  0.9092701900000000 ]
     mass: 15.999400
   - symbol: O  # 4
     coordinates: [  0.4092701900000000,  0.9092701900000000,  0.5907298100000000 ]
     mass: 15.999400
   - symbol: O  # 5
     coordinates: [  0.1592701900000000,  0.8407298100000000,  0.3407298100000000 ]
     mass: 15.999400
   - symbol: O  # 6
     coordinates: [  0.8407298100000000,  0.3407298100000000,  0.1592701900000000 ]
     mass: 15.999400
   - symbol: O  # 7
     coordinates: [  0.3407298100000000,  0.1592701900000000,  0.8407298100000000 ]
     mass: 15.999400
   - symbol: O  # 8
     coordinates: [  0.0907298100000000,  0.0907298100000000,  0.0907298100000000 ]
     mass: 15.999400
   - symbol: O  # 9
     coordinates: [  0.4379526400000000,  0.5134686100000000,  0.6788893000000000 ]
     mass: 15.999400
   - symbol: O  # 10
     coordinates: [  0.9379526400000000,  0.9865313900000000,  0.3211107000000000 ]
     mass: 15.999400
   - symbol: O  # 11
     coordinates: [  0.5134686100000000,  0.6788893000000000,  0.4379526400000000 ]
     mass: 15.999400
   - symbol: O  # 12
     coordinates: [  0.4865313900000000,  0.1788893000000000,  0.0620473600000000 ]
     mass: 15.999400
   - symbol: O  # 13
     coordinates: [  0.6788893000000000,  0.4379526400000000,  0.5134686100000000 ]
     mass: 15.999400
   - symbol: O  # 14
     coordinates: [  0.8211107000000000,  0.5620473600000000,  0.0134686100000000 ]
     mass: 15.999400
   - symbol: O  # 15
     coordinates: [  0.1879526400000000,  0.9288893000000000,  0.7365313900000000 ]
     mass: 15.999400
   - symbol: O  # 16
     coordinates: [  0.6879526400000000,  0.5711107000000000,  0.2634686100000000 ]
     mass: 15.999400
   - symbol: O  # 17
     coordinates: [  0.8120473600000000,  0.4288893000000000,  0.7634686100000000 ]
     mass: 15.999400
   - symbol: O  # 18
     coordinates: [  0.5711107000000000,  0.2634686100000000,  0.6879526400000000 ]
     mass: 15.999400
   - symbol: O  # 19
     coordinates: [  0.7634686100000000,  0.8120473600000000,  0.4288893000000000 ]
     mass: 15.999400
   - symbol: O  # 20
     coordinates: [  0.2634686100000000,  0.6879526400000000,  0.5711107000000000 ]
     mass: 15.999400
   - symbol: O  # 21
     coordinates: [  0.9288893000000000,  0.7365313900000000,  0.1879526400000000 ]
     mass: 15.999400
   - symbol: O  # 22
     coordinates: [  0.7365313900000000,  0.1879526400000000,  0.9288893000000000 ]
     mass: 15.999400
   - symbol: O  # 23
     coordinates: [  0.4288893000000000,  0.7634686100000000,  0.8120473600000000 ]
     mass: 15.999400
   - symbol: O  # 24
     coordinates: [  0.0711107000000000,  0.2365313900000000,  0.3120473600000000 ]
     mass: 15.999400
   - symbol: O  # 25
     coordinates: [  0.2365313900000000,  0.3120473600000000,  0.0711107000000000 ]
     mass: 15.999400
   - symbol: O  # 26
     coordinates: [  0.3211107000000000,  0.9379526400000000,  0.9865313900000000 ]
     mass: 15.999400
   - symbol: O  # 27
     coordinates: [  0.1788893000000000,  0.0620473600000000,  0.4865313900000000 ]
     mass: 15.999400
   - symbol: O  # 28
     coordinates: [  0.0134686100000000,  0.8211107000000000,  0.5620473600000000 ]
     mass: 15.999400
   - symbol: O  # 29
     coordinates: [  0.9865313900000000,  0.3211107000000000,  0.9379526400000000 ]
     mass: 15.999400
   - symbol: O  # 30
     coordinates: [  0.0620473600000000,  0.4865313900000000,  0.1788893000000000 ]
     mass: 15.999400
   - symbol: O  # 31
     coordinates: [  0.5620473600000000,  0.0134686100000000,  0.8211107000000000 ]
     mass: 15.999400
   - symbol: O  # 32
     coordinates: [  0.3120473600000000,  0.0711107000000000,  0.2365313900000000 ]
     mass: 15.999400
   - symbol: O  # 33
     coordinates: [  0.3750000000000000,  0.7316850700000000,  0.0183149300000000 ]
     mass: 15.999400
   - symbol: O  # 34
     coordinates: [  0.5183149300000000,  0.1250000000000000,  0.2683149300000000 ]
     mass: 15.999400
   - symbol: O  # 35
     coordinates: [  0.7370660600000000,  0.3308454300000000,  0.3423216400000000 ]
     mass: 15.999400
   - symbol: O  # 36
     coordinates: [  0.2316850700000000,  0.4816850700000000,  0.6250000000000000 ]
     mass: 15.999400
   - symbol: O  # 37
     coordinates: [  0.9816850700000000,  0.8750000000000000,  0.7683149300000000 ]
     mass: 15.999400
   - symbol: O  # 38
     coordinates: [  0.0183149300000000,  0.3750000000000000,  0.7316850700000000 ]
     mass: 15.999400
   - symbol: O  # 39
     coordinates: [  0.4816850700000000,  0.6250000000000000,  0.2316850700000000 ]
     mass: 15.999400
   - symbol: O  # 40
     coordinates: [  0.2683149300000000,  0.5183149300000000,  0.1250000000000000 ]
     mass: 15.999400
   - symbol: O  # 41
     coordinates: [  0.7316850700000000,  0.0183149300000000,  0.3750000000000000 ]
     mass: 15.999400
   - symbol: O  # 42
     coordinates: [  0.6250000000000000,  0.2316850700000000,  0.4816850700000000 ]
     mass: 15.999400
   - symbol: O  # 43
     coordinates: [  0.1250000000000000,  0.2683149300000000,  0.5183149300000000 ]
     mass: 15.999400
   - symbol: O  # 44
     coordinates: [  0.8750000000000000,  0.7683149300000000,  0.9816850700000000 ]
     mass: 15.999400
   - symbol: O  # 45
     coordinates: [  0.3308454300000000,  0.3423216400000000,  0.7370660600000000 ]
     mass: 15.999400
   - symbol: O  # 46
     coordinates: [  0.8308454300000000,  0.1576783600000000,  0.2629339400000000 ]
     mass: 15.999400
   - symbol: O  # 47
     coordinates: [  0.3423216400000000,  0.7370660600000000,  0.3308454300000000 ]
     mass: 15.999400
   - symbol: O  # 48
     coordinates: [  0.6576783600000000,  0.2370660600000000,  0.1691545700000000 ]
     mass: 15.999400
   - symbol: O  # 49
     coordinates: [  0.0325684900000000,  0.1207845100000000,  0.6346279100000000 ]
     mass: 15.999400
   - symbol: O  # 50
     coordinates: [  0.2825684900000000,  0.6153720900000000,  0.8707845100000000 ]
     mass: 15.999400
   - symbol: O  # 51
     coordinates: [  0.7825684899999999,  0.8846279100000000,  0.1292154900000000 ]
     mass: 15.999400
   - symbol: O  # 52
     coordinates: [  0.3846279100000000,  0.3707845100000000,  0.2174315100000000 ]
     mass: 15.999400
   - symbol: O  # 53
     coordinates: [  0.6153720900000000,  0.8707845100000000,  0.2825684900000000 ]
     mass: 15.999400
   - symbol: O  # 54
     coordinates: [  0.1292154900000000,  0.7825684899999999,  0.8846279100000000 ]
     mass: 15.999400
   - symbol: O  # 55
     coordinates: [  0.3707845100000000,  0.2174315100000000,  0.3846279100000000 ]
     mass: 15.999400
   - symbol: O  # 56
     coordinates: [  0.6346279100000000,  0.0325684900000000,  0.1207845100000000 ]
     mass: 15.999400
   - symbol: O  # 57
     coordinates: [  0.1207845100000000,  0.6346279100000000,  0.0325684900000000 ]
     mass: 15.999400
   - symbol: O  # 58
     coordinates: [  0.3792154900000000,  0.3653720900000000,  0.5325684899999999 ]
     mass: 15.999400
   - symbol: O  # 59
     coordinates: [  0.1346279100000000,  0.4674315100000000,  0.8792154900000000 ]
     mass: 15.999400
   - symbol: O  # 60
     coordinates: [  0.8792154900000000,  0.1346279100000000,  0.4674315100000000 ]
     mass: 15.999400
   - symbol: O  # 61
     coordinates: [  0.8653720900000000,  0.9674315100000001,  0.6207845100000000 ]
     mass: 15.999400
   - symbol: O  # 62
     coordinates: [  0.3653720900000000,  0.5325684899999999,  0.3792154900000000 ]
     mass: 15.999400
   - symbol: O  # 63
     coordinates: [  0.6207845100000000,  0.8653720900000000,  0.9674315100000001 ]
     mass: 15.999400
   - symbol: O  # 64
     coordinates: [  0.5325684899999999,  0.3792154900000000,  0.3653720900000000 ]
     mass: 15.999400
   - symbol: O  # 65
     coordinates: [  0.9674315100000001,  0.6207845100000000,  0.8653720900000000 ]
     mass: 15.999400
   - symbol: O  # 66
     coordinates: [  0.4674315100000000,  0.8792154900000000,  0.1346279100000000 ]
     mass: 15.999400
   - symbol: O  # 67
     coordinates: [  0.8707845100000000,  0.2825684900000000,  0.6153720900000000 ]
     mass: 15.999400
   - symbol: O  # 68
     coordinates: [  0.6292154900000000,  0.7174315100000001,  0.1153720900000000 ]
     mass: 15.999400
   - symbol: O  # 69
     coordinates: [  0.8846279100000000,  0.1292154900000000,  0.7825684899999999 ]
     mass: 15.999400
   - symbol: O  # 70
     coordinates: [  0.1153720900000000,  0.6292154900000000,  0.7174315100000001 ]
     mass: 15.999400
   - symbol: O  # 71
     coordinates: [  0.2174315100000000,  0.3846279100000000,  0.3707845100000000 ]
     mass: 15.999400
   - symbol: O  # 72
     coordinates: [  0.7174315100000001,  0.1153720900000000,  0.6292154900000000 ]
     mass: 15.999400
   - symbol: O  # 73
     coordinates: [  0.4191545700000000,  0.0129339400000000,  0.4076783600000000 ]
     mass: 15.999400
   - symbol: O  # 74
     coordinates: [  0.6691545700000000,  0.8423216400000000,  0.7629339400000000 ]
     mass: 15.999400
   - symbol: O  # 75
     coordinates: [  0.1691545700000000,  0.6576783600000000,  0.2370660600000000 ]
     mass: 15.999400
   - symbol: O  # 76
     coordinates: [  0.1576783600000000,  0.2629339400000000,  0.8308454300000000 ]
     mass: 15.999400
   - symbol: O  # 77
     coordinates: [  0.8423216400000000,  0.7629339400000000,  0.6691545700000000 ]
     mass: 15.999400
   - symbol: O  # 78
     coordinates: [  0.2370660600000000,  0.1691545700000000,  0.6576783600000000 ]
     mass: 15.999400
   - symbol: O  # 79
     coordinates: [  0.2629339400000000,  0.8308454300000000,  0.1576783600000000 ]
     mass: 15.999400
   - symbol: O  # 80
     coordinates: [  0.4076783600000000,  0.4191545700000000,  0.0129339400000000 ]
     mass: 15.999400
   - symbol: O  # 81
     coordinates: [  0.0129339400000000,  0.4076783600000000,  0.4191545700000000 ]
     mass: 15.999400
   - symbol: O  # 82
     coordinates: [  0.4870660600000000,  0.5923216400000000,  0.9191545700000000 ]
     mass: 15.999400
   - symbol: O  # 83
     coordinates: [  0.9076783600000000,  0.0808454300000000,  0.9870660600000000 ]
     mass: 15.999400
   - symbol: O  # 84
     coordinates: [  0.9870660600000000,  0.9076783600000000,  0.0808454300000000 ]
     mass: 15.999400
   - symbol: O  # 85
     coordinates: [  0.0923216400000000,  0.5808454300000000,  0.5129339400000000 ]
     mass: 15.999400
   - symbol: O  # 86
     coordinates: [  0.5923216400000000,  0.9191545700000000,  0.4870660600000000 ]
     mass: 15.999400
   - symbol: O  # 87
     coordinates: [  0.5129339400000000,  0.0923216400000000,  0.5808454300000000 ]
     mass: 15.999400
   - symbol: O  # 88
     coordinates: [  0.9191545700000000,  0.4870660600000000,  0.5923216400000000 ]
     mass: 15.999400
   - symbol: O  # 89
     coordinates: [  0.5808454300000000,  0.5129339400000000,  0.0923216400000000 ]
     mass: 15.999400
   - symbol: O  # 90
     coordinates: [  0.0808454300000000,  0.9870660600000000,  0.9076783600000000 ]
     mass: 15.999400
   - symbol: O  # 91
     coordinates: [  0.7629339400000000,  0.6691545700000000,  0.8423216400000000 ]
     mass: 15.999400
   - symbol: O  # 92
     coordinates: [  0.7683149300000000,  0.9816850700000000,  0.8750000000000000 ]
     mass: 15.999400
   - symbol: Na # 93
     coordinates: [  0.3750000000000000,  0.9566680900000000,  0.7933319100000000 ]
     mass: 22.989769
   - symbol: Na # 94
     coordinates: [  0.2933319100000000,  0.1250000000000000,  0.0433319100000000 ]
     mass: 22.989769
   - symbol: Na # 95
     coordinates: [  0.4566680900000000,  0.7066680900000000,  0.6250000000000000 ]
     mass: 22.989769
   - symbol: Na # 96
     coordinates: [  0.5433319100000000,  0.2066680900000000,  0.8750000000000000 ]
     mass: 22.989769
   - symbol: Na # 97
     coordinates: [  0.8750000000000000,  0.5433319100000000,  0.2066680900000000 ]
     mass: 22.989769
   - symbol: Na # 98
     coordinates: [  0.1250000000000000,  0.0433319100000000,  0.2933319100000000 ]
     mass: 22.989769
   - symbol: Na # 99
     coordinates: [  0.6250000000000000,  0.4566680900000000,  0.7066680900000000 ]
     mass: 22.989769
   - symbol: Na # 100
     coordinates: [  0.9566680900000000,  0.7933319100000000,  0.3750000000000000 ]
     mass: 22.989769
   - symbol: Na # 101
     coordinates: [  0.0433319100000000,  0.2933319100000000,  0.1250000000000000 ]
     mass: 22.989769
   - symbol: Na # 102
     coordinates: [  0.7066680900000000,  0.6250000000000000,  0.4566680900000000 ]
     mass: 22.989769
   - symbol: Na # 103
     coordinates: [  0.7933319100000000,  0.3750000000000000,  0.9566680900000000 ]
     mass: 22.989769
   - symbol: Na # 104
     coordinates: [  0.2066680900000000,  0.8750000000000000,  0.5433319100000000 ]
     mass: 22.989769
   - symbol: Al # 105
     coordinates: [  0.1250000000000000,  0.6250000000000000,  0.8750000000000000 ]
     mass: 26.981539
   - symbol: Al # 106
     coordinates: [  0.3750000000000000,  0.3750000000000000,  0.3750000000000000 ]
     mass: 26.981539
   - symbol: Al # 107
     coordinates: [  0.8750000000000000,  0.1250000000000000,  0.6250000000000000 ]
     mass: 26.981539
   - symbol: Al # 108
     coordinates: [  0.6250000000000000,  0.8750000000000000,  0.1250000000000000 ]
     mass: 26.981539
   - symbol: P  # 109
     coordinates: [  0.6365873100000000,  0.3552812700000000,  0.4311156000000000 ]
     mass: 30.973762
   - symbol: P  # 110
     coordinates: [  0.6447187300000000,  0.9311156000000000,  0.8634126900000000 ]
     mass: 30.973762
   - symbol: P  # 111
     coordinates: [  0.4311156000000000,  0.6365873100000000,  0.3552812700000000 ]
     mass: 30.973762
   - symbol: P  # 112
     coordinates: [  0.9311156000000000,  0.8634126900000000,  0.6447187300000000 ]
     mass: 30.973762
   - symbol: P  # 113
     coordinates: [  0.8552812700000000,  0.0688844000000000,  0.3634126900000000 ]
     mass: 30.973762
   - symbol: P  # 114
     coordinates: [  0.0688844000000000,  0.3634126900000000,  0.8552812700000000 ]
     mass: 30.973762
   - symbol: P  # 115
     coordinates: [  0.3552812700000000,  0.4311156000000000,  0.6365873100000000 ]
     mass: 30.973762
   - symbol: P  # 116
     coordinates: [  0.1447187300000000,  0.5688844000000000,  0.1365873100000000 ]
     mass: 30.973762
   - symbol: P  # 117
     coordinates: [  0.5688844000000000,  0.1365873100000000,  0.1447187300000000 ]
     mass: 30.973762
   - symbol: P  # 118
     coordinates: [  0.3947187300000000,  0.1134126900000000,  0.3188844000000000 ]
     mass: 30.973762
   - symbol: P  # 119
     coordinates: [  0.1052812700000000,  0.8865873100000000,  0.8188844000000000 ]
     mass: 30.973762
   - symbol: P  # 120
     coordinates: [  0.6811156000000000,  0.8947187300000000,  0.3865873100000000 ]
     mass: 30.973762
   - symbol: P  # 121
     coordinates: [  0.3188844000000000,  0.3947187300000000,  0.1134126900000000 ]
     mass: 30.973762
   - symbol: P  # 122
     coordinates: [  0.8865873100000000,  0.8188844000000000,  0.1052812700000000 ]
     mass: 30.973762
   - symbol: P  # 123
     coordinates: [  0.3865873100000000,  0.6811156000000000,  0.8947187300000000 ]
     mass: 30.973762
   - symbol: P  # 124
     coordinates: [  0.1365873100000000,  0.1447187300000000,  0.5688844000000000 ]
     mass: 30.973762
   - symbol: P  # 125
     coordinates: [  0.8634126900000000,  0.6447187300000000,  0.9311156000000000 ]
     mass: 30.973762
   - symbol: P  # 126
     coordinates: [  0.3634126900000000,  0.8552812700000000,  0.0688844000000000 ]
     mass: 30.973762
   - symbol: P  # 127
     coordinates: [  0.8947187300000000,  0.3865873100000000,  0.6811156000000000 ]
     mass: 30.973762
   - symbol: P  # 128
     coordinates: [  0.6052812700000000,  0.6134126900000000,  0.1811156000000000 ]
     mass: 30.973762
   - symbol: P  # 129
     coordinates: [  0.8188844000000000,  0.1052812700000000,  0.8865873100000000 ]
     mass: 30.973762
   - symbol: P  # 130
     coordinates: [  0.1811156000000000,  0.6052812700000000,  0.6134126900000000 ]
     mass: 30.973762
   - symbol: P  # 131
     coordinates: [  0.1134126900000000,  0.3188844000000000,  0.3947187300000000 ]
     mass: 30.973762
   - symbol: P  # 132
     coordinates: [  0.6134126900000000,  0.1811156000000000,  0.6052812700000000 ]
     mass: 30.973762
   - symbol: P  # 133
     coordinates: [  0.0192260400000000,  0.0192260400000000,  0.0192260400000000 ]
     mass: 30.973762
   - symbol: P  # 134
     coordinates: [  0.2692260400000000,  0.2307739600000000,  0.7692260400000001 ]
     mass: 30.973762
   - symbol: P  # 135
     coordinates: [  0.7692260400000001,  0.2692260400000000,  0.2307739600000000 ]
     mass: 30.973762
   - symbol: P  # 136
     coordinates: [  0.2307739600000000,  0.7692260400000001,  0.2692260400000000 ]
     mass: 30.973762
   - symbol: P  # 137
     coordinates: [  0.4807739600000000,  0.9807739599999999,  0.5192260400000001 ]
     mass: 30.973762
   - symbol: P  # 138
     coordinates: [  0.5192260400000001,  0.4807739600000000,  0.9807739599999999 ]
     mass: 30.973762
   - symbol: P  # 139
     coordinates: [  0.9807739599999999,  0.5192260400000001,  0.4807739600000000 ]
     mass: 30.973762
   - symbol: P  # 140
     coordinates: [  0.7307739599999999,  0.7307739599999999,  0.7307739599999999 ]
     mass: 30.973762
   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
   - 97
   - 98
   - 99
   - 100
   - 101
   - 102
   - 103
   - 104
   - 105
   - 106
   - 107
   - 108
   - 109
   - 110
   - 111
   - 112
   - 113
   - 114
   - 115
   - 116
   - 117
   - 118
   - 119
   - 120
   - 121
   - 122
   - 123
   - 124
   - 125
   - 126
   - 127
   - 128
   - 129
   - 130
   - 131
   - 132
   - 133
   - 134
   - 135
   - 136
   - 137
   - 138
   - 139
   - 140

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