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Atsushi Togo
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FeS2
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Ab-initio phonon calculation for FeS2 / Pa-3 (205) / materials id 226
Description/Abstract:
Ab-initio phonon calculation for FeS2 / Pa-3 (205) Phonon band structure, phonon DOS, thermal properties at constant volume, and phonon r...
Keyword:
FeS2
,
Pa-3 (205)
, and
Phonon
Resource Type:
Dataset
Data origin:
simulation
Author:
Atsushi Togo
Date Uploaded:
17/05/2023
Ab-initio phonon calculation for FeS2 / Pnnm (58) / materials id 1522
Description/Abstract:
Ab-initio phonon calculation for FeS2 / Pnnm (58) Phonon band structure, phonon DOS, thermal properties at constant volume, and phonon ra...
Keyword:
FeS2
,
Phonon
, and
Pnnm (58)
Resource Type:
Dataset
Data origin:
simulation
Author:
Atsushi Togo
Date Uploaded:
16/05/2023
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MDR phonon calculation database
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Keyword
FeS2
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Phonon
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Pa-3 (205)
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Pnnm (58)
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NIMS
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2
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Creative Commons BY Attribution 4.0 International
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simulation
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Author
Atsushi Togo
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MEXT
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Software
VASP
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phonopy
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spglib
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