Materials id 7000 / SiO2 / d.g.
===================================================================

- Date page updated: 2015-11-24
- Space group type: P3_121 (152) / P 31 2"
- Number of formula units (Z): 3
- Phonon raw data: :download:`mp-7000.tar.lzma <./mp-7000.tar.lzma>`
- Link to Materials Project: `https://www.materialsproject.org/materials/mp-7000/ <https://www.materialsproject.org/materials/mp-7000/>`_

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

.. image:: mp-7000-dos.png

Mode Gruneisen parameter
-------------------------

.. image:: mp-7000-gruneisen.png

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

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

::

   lattice:
   - [     4.9594051900000000,     0.0000000000000000,     0.0000000000000000 ] # a
   - [    -2.4797026000000000,     4.2949708800000002,     0.0000000000000000 ] # b
   - [     0.0000000000000000,     0.0000000000000000,     5.4529594899999996 ] # c
   points:
   - symbol: O  # 1
     coordinates: [  0.1471997400000000,  0.4130951000000000,  0.3800393500000000 ]
     mass: 15.999400
   - symbol: O  # 2
     coordinates: [  0.2658953700000000,  0.8528002600000000,  0.0467060200000000 ]
     mass: 15.999400
   - symbol: O  # 3
     coordinates: [  0.5869049000000000,  0.7341046300000000,  0.7133726800000000 ]
     mass: 15.999400
   - symbol: O  # 4
     coordinates: [  0.8528002600000000,  0.2658953700000000,  0.9532939800000000 ]
     mass: 15.999400
   - symbol: O  # 5
     coordinates: [  0.4130951000000000,  0.1471997400000000,  0.6199606500000000 ]
     mass: 15.999400
   - symbol: O  # 6
     coordinates: [  0.7341046300000000,  0.5869049000000000,  0.2866273200000000 ]
     mass: 15.999400
   - symbol: Si # 7
     coordinates: [  0.0000000000000000,  0.5291682700000000,  0.1666666700000000 ]
     mass: 28.085500
   - symbol: Si # 8
     coordinates: [  0.4708317300000000,  0.4708317300000000,  0.5000000000000000 ]
     mass: 28.085500
   - symbol: Si # 9
     coordinates: [  0.5291682700000000,  0.0000000000000000,  0.8333333300000000 ]
     mass: 28.085500
   poscar_order:
   - 1
   - 2
   - 3
   - 4
   - 5
   - 6
   - 7
   - 8
   - 9

Citation
-----------

.. _the Materials Project: https://www.materialsproject.org/
.. _the Materials Project citation: https://materialsproject.org/citing

The initial crystal structure used to perform phonon calculation is obtained from `the Materials Project`_. More detail about the crystal structure and citation is found at :ref:`crystal_structure_and_citation`.

License
--------------

The contents of this web page are licensed under a `Creative Commons 4 Attribution.0
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