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Pnma (62)
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Ab-initio phonon calculation for La4Te3N2 / Pnma (62) / materials id 641010
Description/Abstract:
Ab-initio phonon calculation for La4Te3N2 / Pnma (62) Phonon band structure, phonon DOS, thermal properties at constant volume, and phono...
Keyword:
La4Te3N2
,
Phonon
, and
Pnma (62)
Resource Type:
Dataset
Data origin:
simulation
Author:
Atsushi Togo
Date Uploaded:
18/05/2023
Ab-initio phonon calculation for BaLaCuSe3 / Pnma (62) / materials id 541430
Description/Abstract:
Ab-initio phonon calculation for BaLaCuSe3 / Pnma (62) Phonon band structure, phonon DOS, thermal properties at constant volume, and phon...
Keyword:
BaLaCuSe3
,
Phonon
, and
Pnma (62)
Resource Type:
Dataset
Data origin:
simulation
Author:
Atsushi Togo
Date Uploaded:
18/05/2023
Ab-initio phonon calculation for TaCuS3 / Pnma (62) / materials id 3102
Description/Abstract:
Ab-initio phonon calculation for TaCuS3 / Pnma (62) Phonon band structure, phonon DOS, thermal properties at constant volume, and phonon ...
Keyword:
Phonon
,
Pnma (62)
, and
TaCuS3
Resource Type:
Dataset
Data origin:
simulation
Author:
Atsushi Togo
Date Uploaded:
18/05/2023
Ab-initio phonon calculation for YHO2 / Pnma (62) / materials id 756402
Description/Abstract:
Ab-initio phonon calculation for YHO2 / Pnma (62) Phonon band structure, phonon DOS, thermal properties at constant volume, and phonon ra...
Keyword:
Phonon
,
Pnma (62)
, and
YHO2
Resource Type:
Dataset
Data origin:
simulation
Author:
Atsushi Togo
Date Uploaded:
18/05/2023
Ab-initio phonon calculation for Cd2GeO4 / Pnma (62) / materials id 3917
Description/Abstract:
Ab-initio phonon calculation for Cd2GeO4 / Pnma (62) Phonon band structure, phonon DOS, thermal properties at constant volume, and phonon...
Keyword:
Cd2GeO4
,
Phonon
, and
Pnma (62)
Resource Type:
Dataset
Data origin:
simulation
Author:
Atsushi Togo
Date Uploaded:
18/05/2023
Ab-initio phonon calculation for KSiH3 / Pnma (62) / materials id 28695
Description/Abstract:
Ab-initio phonon calculation for KSiH3 / Pnma (62) Phonon band structure, phonon DOS, thermal properties at constant volume, and phonon r...
Keyword:
KSiH3
,
Phonon
, and
Pnma (62)
Resource Type:
Dataset
Data origin:
simulation
Author:
Atsushi Togo
Date Uploaded:
18/05/2023
Ab-initio phonon calculation for TlGaCl4 / Pnma (62) / materials id 570609
Description/Abstract:
Ab-initio phonon calculation for TlGaCl4 / Pnma (62) Phonon band structure, phonon DOS, thermal properties at constant volume, and phonon...
Keyword:
Phonon
,
Pnma (62)
, and
TlGaCl4
Resource Type:
Dataset
Data origin:
simulation
Author:
Atsushi Togo
Date Uploaded:
18/05/2023
Ab-initio phonon calculation for Rb2CuBr3 / Pnma (62) / materials id 569531
Description/Abstract:
Ab-initio phonon calculation for Rb2CuBr3 / Pnma (62) Phonon band structure, phonon DOS, thermal properties at constant volume, and phono...
Keyword:
Phonon
,
Pnma (62)
, and
Rb2CuBr3
Resource Type:
Dataset
Data origin:
simulation
Author:
Atsushi Togo
Date Uploaded:
18/05/2023
Ab-initio phonon calculation for Li4TiS4 / Pnma (62) / materials id 766540
Description/Abstract:
Ab-initio phonon calculation for Li4TiS4 / Pnma (62) Phonon band structure, phonon DOS, thermal properties at constant volume, and phonon...
Keyword:
Li4TiS4
,
Phonon
, and
Pnma (62)
Resource Type:
Dataset
Data origin:
simulation
Author:
Atsushi Togo
Date Uploaded:
18/05/2023
Ab-initio phonon calculation for Cs2MoS4 / Pnma (62) / materials id 560635
Description/Abstract:
Ab-initio phonon calculation for Cs2MoS4 / Pnma (62) Phonon band structure, phonon DOS, thermal properties at constant volume, and phonon...
Keyword:
Cs2MoS4
,
Phonon
, and
Pnma (62)
Resource Type:
Dataset
Data origin:
simulation
Author:
Atsushi Togo
Date Uploaded:
18/05/2023
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839
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MDR phonon calculation database
839
Keyword
Phonon
839
Pnma (62)
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839
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839
Rights Statement Sim
Creative Commons BY Attribution 4.0 International
839
Data origin
simulation
839
Author
Atsushi Togo
839
Funder
MEXT
839
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VASP
839
phonopy
839
spglib
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