Materials id 28306 / MnBr2 / d.g.
===================================================================
- Date page updated: 2015-11-24
- Space group type: P-3m1 (164) / -P 3 2"
- Number of formula units (Z): 1
- Phonon raw data: :download:`mp-28306.tar.lzma <./mp-28306.tar.lzma>`
- Link to Materials Project: `https://www.materialsproject.org/materials/mp-28306/ `_
Phonon DOS
-----------
.. image:: mp-28306-dos.png
Mode Gruneisen parameter
-------------------------
.. image:: mp-28306-gruneisen.png
POSCAR.yaml
----------------
POSCAR.yaml shows the crystal structure after the relaxation used for this phonon calculation.
::
lattice:
- [ 3.5063576099999998, 0.0000000000000000, 0.0000000000000000 ] # a
- [ -1.7531788100000001, 3.0365947700000002, 0.0000000000000000 ] # b
- [ 0.0000000000000000, 0.0000000000000000, 6.0083001100000004 ] # c
points:
- symbol: Mn # 1
coordinates: [ 0.0000000000000000, 0.0000000000000000, 0.0000000000000000 ]
mass: 54.938045
- symbol: Br # 2
coordinates: [ 0.3333333300000000, 0.6666666700000000, 0.7740502200000000 ]
mass: 79.904000
- symbol: Br # 3
coordinates: [ 0.6666666700000000, 0.3333333300000000, 0.2259497800000000 ]
mass: 79.904000
poscar_order:
- 1
- 2
- 3
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 `_.
.. image :: https://i.creativecommons.org/l/by/4.0/88x31.png
:target: http://creativecommons.org/licenses/by/4.0/
:alt: license