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P4mm (99)
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Ab-initio phonon calculation for BaTiO3 / P4mm (99) / materials id 12992
Description/Abstract:
Ab-initio phonon calculation for BaTiO3 / P4mm (99) Phonon band structure, phonon DOS, thermal properties at constant volume, and phonon ...
Keyword:
BaTiO3
,
P4mm (99)
, and
Phonon
Resource Type:
Dataset
Data origin:
simulation
Author:
Atsushi Togo
Date Uploaded:
18/05/2023
Ab-initio phonon calculation for TiPbO3 / P4mm (99) / materials id 20459
Description/Abstract:
Ab-initio phonon calculation for TiPbO3 / P4mm (99) Phonon band structure, phonon DOS, thermal properties at constant volume, and phonon ...
Keyword:
P4mm (99)
,
Phonon
, and
TiPbO3
Resource Type:
Dataset
Data origin:
simulation
Author:
Atsushi Togo
Date Uploaded:
18/05/2023
Ab-initio phonon calculation for SrHfO3 / P4mm (99) / materials id 13108
Description/Abstract:
Ab-initio phonon calculation for SrHfO3 / P4mm (99) Phonon band structure, phonon DOS, thermal properties at constant volume, and phonon ...
Keyword:
P4mm (99)
,
Phonon
, and
SrHfO3
Resource Type:
Dataset
Data origin:
simulation
Author:
Atsushi Togo
Date Uploaded:
17/05/2023
Ab-initio phonon calculation for KNbO3 / P4mm (99) / materials id 4342
Description/Abstract:
Ab-initio phonon calculation for KNbO3 / P4mm (99) Phonon band structure, phonon DOS, thermal properties at constant volume, and phonon r...
Keyword:
KNbO3
,
P4mm (99)
, and
Phonon
Resource Type:
Dataset
Data origin:
simulation
Author:
Atsushi Togo
Date Uploaded:
16/05/2023
Ab-initio phonon calculation for BaTiO3 / P4mm (99) / materials id 5986
Description/Abstract:
Ab-initio phonon calculation for BaTiO3 / P4mm (99) Phonon band structure, phonon DOS, thermal properties at constant volume, and phonon ...
Keyword:
BaTiO3
,
P4mm (99)
, and
Phonon
Resource Type:
Dataset
Data origin:
simulation
Author:
Atsushi Togo
Date Uploaded:
15/05/2023
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MDR phonon calculation database
5
Keyword
P4mm (99)
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Phonon
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NIMS
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Creative Commons BY Attribution 4.0 International
5
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simulation
5
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Atsushi Togo
5
Funder
MEXT
5
Software
VASP
5
phonopy
5
spglib
5