Dataset
Ab-initio phonon calculation for Sr4Bi6Se13 / P2_1/m (11) / materials id 28397
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Ab-initio phonon calculation for Sr4Bi6Se13 / P2_1/m (11)
Phonon band structure, phonon DOS, thermal properties at constant volume, and phonon raw data are presented.
The initial crystal structure used to perform phonon calculation is obtained from the Materials Project using
pymatgen MPRester. The phonon band structure paths are determined using SeeK-path.
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Items
Thumbnail | Title | Date Uploaded | Size | Visibility | Actions |
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band_structure.png | 137 KB | MDR Open |
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phonopy_params.yaml.xz | 105 KB | MDR Open |
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projected_dos.png | 73.6 KB | MDR Open |
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thermal_properties.png | 26.2 KB | MDR Open |
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total_dos.png | 26.5 KB | MDR Open |
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vasp-settings.tar.lzma | 1.21 KB | MDR Open |
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