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Pnna (52)
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Ab-initio phonon calculation for TaAsO4 / Pnna (52) / materials id 770359
Description/Abstract:
Ab-initio phonon calculation for TaAsO4 / Pnna (52) Phonon band structure, phonon DOS, thermal properties at constant volume, and phonon ...
Keyword:
Phonon
,
Pnna (52)
, and
TaAsO4
Resource Type:
Dataset
Data origin:
simulation
Author:
Atsushi Togo
Date Uploaded:
26/05/2023
Ab-initio phonon calculation for PrBiO4 / Pnna (52) / materials id 770111
Description/Abstract:
Ab-initio phonon calculation for PrBiO4 / Pnna (52) Phonon band structure, phonon DOS, thermal properties at constant volume, and phonon ...
Keyword:
Phonon
,
Pnna (52)
, and
PrBiO4
Resource Type:
Dataset
Data origin:
simulation
Author:
Atsushi Togo
Date Uploaded:
26/05/2023
Ab-initio phonon calculation for KInBr4 / Pnna (52) / materials id 22932
Description/Abstract:
Ab-initio phonon calculation for KInBr4 / Pnna (52) Phonon band structure, phonon DOS, thermal properties at constant volume, and phonon ...
Keyword:
KInBr4
,
Phonon
, and
Pnna (52)
Resource Type:
Dataset
Data origin:
simulation
Author:
Atsushi Togo
Date Uploaded:
25/05/2023
Ab-initio phonon calculation for GaBr2 / Pnna (52) / materials id 28384
Description/Abstract:
Ab-initio phonon calculation for GaBr2 / Pnna (52) Phonon band structure, phonon DOS, thermal properties at constant volume, and phonon r...
Keyword:
GaBr2
,
Phonon
, and
Pnna (52)
Resource Type:
Dataset
Data origin:
simulation
Author:
Atsushi Togo
Date Uploaded:
25/05/2023
Ab-initio phonon calculation for TeO3 / Pnna (52) / materials id 754658
Description/Abstract:
Ab-initio phonon calculation for TeO3 / Pnna (52) Phonon band structure, phonon DOS, thermal properties at constant volume, and phonon ra...
Keyword:
Phonon
,
Pnna (52)
, and
TeO3
Resource Type:
Dataset
Data origin:
simulation
Author:
Atsushi Togo
Date Uploaded:
25/05/2023
Ab-initio phonon calculation for ScTeO3F / Pnna (52) / materials id 13551
Description/Abstract:
Ab-initio phonon calculation for ScTeO3F / Pnna (52) Phonon band structure, phonon DOS, thermal properties at constant volume, and phonon...
Keyword:
Phonon
,
Pnna (52)
, and
ScTeO3F
Resource Type:
Dataset
Data origin:
simulation
Author:
Atsushi Togo
Date Uploaded:
24/05/2023
Ab-initio phonon calculation for Ba(Ag3O2)2 / Pnna (52) / materials id 27286
Description/Abstract:
Ab-initio phonon calculation for Ba(Ag3O2)2 / Pnna (52) Phonon band structure, phonon DOS, thermal properties at constant volume, and pho...
Keyword:
Ba(Ag3O2)2
,
Phonon
, and
Pnna (52)
Resource Type:
Dataset
Data origin:
simulation
Author:
Atsushi Togo
Date Uploaded:
24/05/2023
Ab-initio phonon calculation for InI2 / Pnna (52) / materials id 29312
Description/Abstract:
Ab-initio phonon calculation for InI2 / Pnna (52) Phonon band structure, phonon DOS, thermal properties at constant volume, and phonon ra...
Keyword:
InI2
,
Phonon
, and
Pnna (52)
Resource Type:
Dataset
Data origin:
simulation
Author:
Atsushi Togo
Date Uploaded:
24/05/2023
Ab-initio phonon calculation for Bi3IO4 / Pnna (52) / materials id 772910
Description/Abstract:
Ab-initio phonon calculation for Bi3IO4 / Pnna (52) Phonon band structure, phonon DOS, thermal properties at constant volume, and phonon ...
Keyword:
Bi3IO4
,
Phonon
, and
Pnna (52)
Resource Type:
Dataset
Data origin:
simulation
Author:
Atsushi Togo
Date Uploaded:
24/05/2023
Ab-initio phonon calculation for KZrPdF7 / Pnna (52) / materials id 14985
Description/Abstract:
Ab-initio phonon calculation for KZrPdF7 / Pnna (52) Phonon band structure, phonon DOS, thermal properties at constant volume, and phonon...
Keyword:
KZrPdF7
,
Phonon
, and
Pnna (52)
Resource Type:
Dataset
Data origin:
simulation
Author:
Atsushi Togo
Date Uploaded:
24/05/2023
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MDR phonon calculation database
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Phonon
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37
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Atsushi Togo
37
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MEXT
37
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phonopy
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spglib
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