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Ab-initio phonon calculation for Hg3(BO3)2 / R-3c (167) / materials id 4710
Description/Abstract:
Ab-initio phonon calculation for Hg3(BO3)2 / R-3c (167) Phonon band structure, phonon DOS, thermal properties at constant volume, and pho...
Keyword:
Hg3(BO3)2
,
Phonon
, and
R-3c (167)
Resource Type:
Dataset
Data origin:
simulation
Author:
Atsushi Togo
Date Uploaded:
15/05/2023
Ab-initio phonon calculation for TeO3 / R-3c (167) / materials id 2552
Description/Abstract:
Ab-initio phonon calculation for TeO3 / R-3c (167) Phonon band structure, phonon DOS, thermal properties at constant volume, and phonon r...
Keyword:
Phonon
,
R-3c (167)
, and
TeO3
Resource Type:
Dataset
Data origin:
simulation
Author:
Atsushi Togo
Date Uploaded:
15/05/2023
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Dataset
152
Collection
MDR phonon calculation database
152
Keyword
Phonon
152
R-3c (167)
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152
Ag3BO3
1
AgHg3SbO6
1
Al2O3
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NIMS
152
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152
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152
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Creative Commons BY Attribution 4.0 International
152
Data origin
simulation
152
Author
Atsushi Togo
152
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MEXT
152
Software
VASP
152
phonopy
152
spglib
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152