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Pnma (62)
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Ab-initio phonon calculation for NbIO2 / Pnma (62) / materials id 557685
Description/Abstract:
Ab-initio phonon calculation for NbIO2 / Pnma (62) Phonon band structure, phonon DOS, thermal properties at constant volume, and phonon r...
Keyword:
NbIO2
,
Phonon
, and
Pnma (62)
Resource Type:
Dataset
Data origin:
simulation
Author:
Atsushi Togo
Date Uploaded:
22/05/2023
Ab-initio phonon calculation for YAlO3 / Pnma (62) / materials id 3792
Description/Abstract:
Ab-initio phonon calculation for YAlO3 / Pnma (62) Phonon band structure, phonon DOS, thermal properties at constant volume, and phonon r...
Keyword:
Phonon
,
Pnma (62)
, and
YAlO3
Resource Type:
Dataset
Data origin:
simulation
Author:
Atsushi Togo
Date Uploaded:
22/05/2023
Ab-initio phonon calculation for ErTa3O9 / Pnma (62) / materials id 773069
Description/Abstract:
Ab-initio phonon calculation for ErTa3O9 / Pnma (62) Phonon band structure, phonon DOS, thermal properties at constant volume, and phonon...
Keyword:
ErTa3O9
,
Phonon
, and
Pnma (62)
Resource Type:
Dataset
Data origin:
simulation
Author:
Atsushi Togo
Date Uploaded:
22/05/2023
Ab-initio phonon calculation for La2TiO5 / Pnma (62) / materials id 18051
Description/Abstract:
Ab-initio phonon calculation for La2TiO5 / Pnma (62) Phonon band structure, phonon DOS, thermal properties at constant volume, and phonon...
Keyword:
La2TiO5
,
Phonon
, and
Pnma (62)
Resource Type:
Dataset
Data origin:
simulation
Author:
Atsushi Togo
Date Uploaded:
22/05/2023
Ab-initio phonon calculation for Rb3AsSe4 / Pnma (62) / materials id 18305
Description/Abstract:
Ab-initio phonon calculation for Rb3AsSe4 / Pnma (62) Phonon band structure, phonon DOS, thermal properties at constant volume, and phono...
Keyword:
Phonon
,
Pnma (62)
, and
Rb3AsSe4
Resource Type:
Dataset
Data origin:
simulation
Author:
Atsushi Togo
Date Uploaded:
22/05/2023
Ab-initio phonon calculation for SrCaGe / Pnma (62) / materials id 12418
Description/Abstract:
Ab-initio phonon calculation for SrCaGe / Pnma (62) Phonon band structure, phonon DOS, thermal properties at constant volume, and phonon ...
Keyword:
Phonon
,
Pnma (62)
, and
SrCaGe
Resource Type:
Dataset
Data origin:
simulation
Author:
Atsushi Togo
Date Uploaded:
22/05/2023
Ab-initio phonon calculation for SmF3 / Pnma (62) / materials id 7384
Description/Abstract:
Ab-initio phonon calculation for SmF3 / Pnma (62) Phonon band structure, phonon DOS, thermal properties at constant volume, and phonon ra...
Keyword:
Phonon
,
Pnma (62)
, and
SmF3
Resource Type:
Dataset
Data origin:
simulation
Author:
Atsushi Togo
Date Uploaded:
22/05/2023
Ab-initio phonon calculation for BaNaZrF7 / Pnma (62) / materials id 560732
Description/Abstract:
Ab-initio phonon calculation for BaNaZrF7 / Pnma (62) Phonon band structure, phonon DOS, thermal properties at constant volume, and phono...
Keyword:
BaNaZrF7
,
Phonon
, and
Pnma (62)
Resource Type:
Dataset
Data origin:
simulation
Author:
Atsushi Togo
Date Uploaded:
22/05/2023
Ab-initio phonon calculation for NaGaBr4 / Pnma (62) / materials id 28679
Description/Abstract:
Ab-initio phonon calculation for NaGaBr4 / Pnma (62) Phonon band structure, phonon DOS, thermal properties at constant volume, and phonon...
Keyword:
NaGaBr4
,
Phonon
, and
Pnma (62)
Resource Type:
Dataset
Data origin:
simulation
Author:
Atsushi Togo
Date Uploaded:
22/05/2023
Ab-initio phonon calculation for NdScO3 / Pnma (62) / materials id 31117
Description/Abstract:
Ab-initio phonon calculation for NdScO3 / Pnma (62) Phonon band structure, phonon DOS, thermal properties at constant volume, and phonon ...
Keyword:
NdScO3
,
Phonon
, and
Pnma (62)
Resource Type:
Dataset
Data origin:
simulation
Author:
Atsushi Togo
Date Uploaded:
22/05/2023
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839
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MDR phonon calculation database
839
Keyword
Phonon
839
Pnma (62)
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Creative Commons BY Attribution 4.0 International
839
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simulation
839
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Atsushi Togo
839
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MEXT
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VASP
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phonopy
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spglib
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