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Ab-initio phonon calculation for Sr3U11O36 / Pmmn (59) / materials id 667349
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Ab-initio phonon calculation for Sr3U11O36 / Pmmn (59)
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 | 101 KB | MDR Open |
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phonopy_params.yaml.xz | 87.3 KB | MDR Open |
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projected_dos.png | 55.2 KB | MDR Open |
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thermal_properties.png | 25.8 KB | MDR Open |
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total_dos.png | 25.7 KB | MDR Open |
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vasp-settings.tar.lzma | 1.52 KB | MDR Open |
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