Materials id 14384 / Ba3Ho(BO3)3 / P6_3cm (185) ============================================================================== - Date page updated: 2018-4-17 - Space group type: P6_3cm (185) / P 6c -2 - Number of formula units (Z): 6 - Phonon raw data: :download:`mp-14384-20180417.tar.lzma <./mp-14384-20180417.tar.lzma>` - Link to Materials Project: `https://www.materialsproject.org/materials/mp-14384/ `_ Phonon band structure ---------------------- .. image:: mp-14384-band.png Phonon DOS ----------- .. image:: mp-14384-dos.png Thermal properties at constant volume -------------------------------------- Imaginary modes are excluded if they exist. .. image:: mp-14384-tprops.png POSCAR.yaml ---------------- POSCAR.yaml shows the crystal structure after the relaxation used for this phonon calculation. :: lattice: - [ 9.4061857799999995, 0.0000000000000000, 0.0000000000000000 ] # a - [ -4.7030928899999997, 8.1459958300000004, 0.0000000000000000 ] # b - [ 0.0000000000000000, 0.0000000000000000, 17.4896188300000013 ] # c points: - 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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 `_. .. image :: https://i.creativecommons.org/l/by/4.0/88x31.png :target: http://creativecommons.org/licenses/by/4.0/ :alt: license