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Ab-initio phonon calculation for Sm2Th8O19 / P-4m2 (115) / materials id 676629
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Ab-initio phonon calculation for Sm2Th8O19 / P-4m2 (115)
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 | 168 KB | MDR Open |
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phonopy_params.yaml.xz | 35.6 KB | MDR Open |
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projected_dos.png | 59.2 KB | MDR Open |
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thermal_properties.png | 26.6 KB | MDR Open |
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total_dos.png | 24.7 KB | MDR Open |
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vasp-settings.tar.lzma | 948 Bytes | MDR Open |
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