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