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Ab-initio phonon calculation for La2S3 / Pnma (62) / materials id 7475
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Ab-initio phonon calculation for La2S3 / Pnma (62)
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 | 104 KB | MDR Open |
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phonopy_params.yaml.xz | 22 KB | MDR Open |
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projected_dos.png | 60.1 KB | MDR Open |
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thermal_properties.png | 26.2 KB | MDR Open |
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total_dos.png | 25.6 KB | MDR Open |
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vasp-settings.tar.lzma | 928 Bytes | MDR Open |
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