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Ab-initio phonon calculation for Sc2O3 / R-3c (167) / materials id 755313
Description/Abstract:
Ab-initio phonon calculation for Sc2O3 / R-3c (167) Phonon band structure, phonon DOS, thermal properties at constant volume, and phonon ...
Keyword:
Phonon
,
R-3c (167)
, and
Sc2O3
Resource Type:
Dataset
Data origin:
simulation
Author:
Atsushi Togo
Date Uploaded:
23/05/2023
Ab-initio phonon calculation for Sc2O3 / Ia-3 (206) / materials id 216
Description/Abstract:
Ab-initio phonon calculation for Sc2O3 / Ia-3 (206) Phonon band structure, phonon DOS, thermal properties at constant volume, and phonon ...
Keyword:
Ia-3 (206)
,
Phonon
, and
Sc2O3
Resource Type:
Dataset
Data origin:
simulation
Author:
Atsushi Togo
Date Uploaded:
23/05/2023
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2
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MDR phonon calculation database
2
Keyword
Phonon
2
Sc2O3
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Ia-3 (206)
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R-3c (167)
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NIMS
2
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Dataset
2
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open
2
Rights Statement Sim
Creative Commons BY Attribution 4.0 International
2
Data origin
simulation
2
Author
Atsushi Togo
2
Funder
MEXT
2
Software
VASP
2
phonopy
2
spglib
2