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Pnma (62)
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Ab-initio phonon calculation for GaHO2 / Pnma (62) / materials id 634326
Description/Abstract:
Ab-initio phonon calculation for GaHO2 / Pnma (62) Phonon band structure, phonon DOS, thermal properties at constant volume, and phonon r...
Keyword:
GaHO2
,
Phonon
, and
Pnma (62)
Resource Type:
Dataset
Data origin:
simulation
Author:
Atsushi Togo
Date Uploaded:
15/05/2023
Ab-initio phonon calculation for Rb3PS4 / Pnma (62) / materials id 16863
Description/Abstract:
Ab-initio phonon calculation for Rb3PS4 / Pnma (62) Phonon band structure, phonon DOS, thermal properties at constant volume, and phonon ...
Keyword:
Phonon
,
Pnma (62)
, and
Rb3PS4
Resource Type:
Dataset
Data origin:
simulation
Author:
Atsushi Togo
Date Uploaded:
15/05/2023
Ab-initio phonon calculation for CaHfO3 / Pnma (62) / materials id 754853
Description/Abstract:
Ab-initio phonon calculation for CaHfO3 / Pnma (62) Phonon band structure, phonon DOS, thermal properties at constant volume, and phonon ...
Keyword:
CaHfO3
,
Phonon
, and
Pnma (62)
Resource Type:
Dataset
Data origin:
simulation
Author:
Atsushi Togo
Date Uploaded:
15/05/2023
Ab-initio phonon calculation for Rb2AgCl3 / Pnma (62) / materials id 29693
Description/Abstract:
Ab-initio phonon calculation for Rb2AgCl3 / Pnma (62) Phonon band structure, phonon DOS, thermal properties at constant volume, and phono...
Keyword:
Phonon
,
Pnma (62)
, and
Rb2AgCl3
Resource Type:
Dataset
Data origin:
simulation
Author:
Atsushi Togo
Date Uploaded:
15/05/2023
Ab-initio phonon calculation for LiCuS / Pnma (62) / materials id 753826
Description/Abstract:
Ab-initio phonon calculation for LiCuS / Pnma (62) Phonon band structure, phonon DOS, thermal properties at constant volume, and phonon r...
Keyword:
LiCuS
,
Phonon
, and
Pnma (62)
Resource Type:
Dataset
Data origin:
simulation
Author:
Atsushi Togo
Date Uploaded:
15/05/2023
Ab-initio phonon calculation for CaSeO3 / Pnma (62) / materials id 754140
Description/Abstract:
Ab-initio phonon calculation for CaSeO3 / Pnma (62) Phonon band structure, phonon DOS, thermal properties at constant volume, and phonon ...
Keyword:
CaSeO3
,
Phonon
, and
Pnma (62)
Resource Type:
Dataset
Data origin:
simulation
Author:
Atsushi Togo
Date Uploaded:
15/05/2023
Ab-initio phonon calculation for NaLiTe / Pnma (62) / materials id 8754
Description/Abstract:
Ab-initio phonon calculation for NaLiTe / Pnma (62) Phonon band structure, phonon DOS, thermal properties at constant volume, and phonon ...
Keyword:
NaLiTe
,
Phonon
, and
Pnma (62)
Resource Type:
Dataset
Data origin:
simulation
Author:
Atsushi Togo
Date Uploaded:
15/05/2023
Ab-initio phonon calculation for Na2SO4 / Pnma (62) / materials id 505274
Description/Abstract:
Ab-initio phonon calculation for Na2SO4 / Pnma (62) Phonon band structure, phonon DOS, thermal properties at constant volume, and phonon ...
Keyword:
Na2SO4
,
Phonon
, and
Pnma (62)
Resource Type:
Dataset
Data origin:
simulation
Author:
Atsushi Togo
Date Uploaded:
15/05/2023
Ab-initio phonon calculation for Na2S / Pnma (62) / materials id 556978
Description/Abstract:
Ab-initio phonon calculation for Na2S / Pnma (62) Phonon band structure, phonon DOS, thermal properties at constant volume, and phonon ra...
Keyword:
Na2S
,
Phonon
, and
Pnma (62)
Resource Type:
Dataset
Data origin:
simulation
Author:
Atsushi Togo
Date Uploaded:
15/05/2023
Ab-initio phonon calculation for Pr2S3 / Pnma (62) / materials id 15179
Description/Abstract:
Ab-initio phonon calculation for Pr2S3 / Pnma (62) Phonon band structure, phonon DOS, thermal properties at constant volume, and phonon r...
Keyword:
Phonon
,
Pnma (62)
, and
Pr2S3
Resource Type:
Dataset
Data origin:
simulation
Author:
Atsushi Togo
Date Uploaded:
15/05/2023
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839
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MDR phonon calculation database
839
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Phonon
839
Pnma (62)
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839
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839
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839
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Atsushi Togo
839
Funder
MEXT
839
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VASP
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phonopy
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