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Pnma (62)
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Ab-initio phonon calculation for HoF3 / Pnma (62) / materials id 561877
Description/Abstract:
Ab-initio phonon calculation for HoF3 / Pnma (62) Phonon band structure, phonon DOS, thermal properties at constant volume, and phonon ra...
Keyword:
HoF3
,
Phonon
, and
Pnma (62)
Resource Type:
Dataset
Data origin:
simulation
Author:
Atsushi Togo
Date Uploaded:
15/05/2023
Ab-initio phonon calculation for CsSnI3 / Pnma (62) / materials id 27381
Description/Abstract:
Ab-initio phonon calculation for CsSnI3 / Pnma (62) Phonon band structure, phonon DOS, thermal properties at constant volume, and phonon ...
Keyword:
CsSnI3
,
Phonon
, and
Pnma (62)
Resource Type:
Dataset
Data origin:
simulation
Author:
Atsushi Togo
Date Uploaded:
15/05/2023
Ab-initio phonon calculation for Tm3TaO7 / Pnma (62) / materials id 779096
Description/Abstract:
Ab-initio phonon calculation for Tm3TaO7 / Pnma (62) Phonon band structure, phonon DOS, thermal properties at constant volume, and phonon...
Keyword:
Phonon
,
Pnma (62)
, and
Tm3TaO7
Resource Type:
Dataset
Data origin:
simulation
Author:
Atsushi Togo
Date Uploaded:
15/05/2023
Ab-initio phonon calculation for SrCN2 / Pnma (62) / materials id 9167
Description/Abstract:
Ab-initio phonon calculation for SrCN2 / Pnma (62) Phonon band structure, phonon DOS, thermal properties at constant volume, and phonon r...
Keyword:
Phonon
,
Pnma (62)
, and
SrCN2
Resource Type:
Dataset
Data origin:
simulation
Author:
Atsushi Togo
Date Uploaded:
15/05/2023
Ab-initio phonon calculation for BaTeO3 / Pnma (62) / materials id 556021
Description/Abstract:
Ab-initio phonon calculation for BaTeO3 / Pnma (62) Phonon band structure, phonon DOS, thermal properties at constant volume, and phonon ...
Keyword:
BaTeO3
,
Phonon
, and
Pnma (62)
Resource Type:
Dataset
Data origin:
simulation
Author:
Atsushi Togo
Date Uploaded:
15/05/2023
Ab-initio phonon calculation for K3Sm(BO3)2 / Pnma (62) / materials id 559574
Description/Abstract:
Ab-initio phonon calculation for K3Sm(BO3)2 / Pnma (62) Phonon band structure, phonon DOS, thermal properties at constant volume, and pho...
Keyword:
K3Sm(BO3)2
,
Phonon
, and
Pnma (62)
Resource Type:
Dataset
Data origin:
simulation
Author:
Atsushi Togo
Date Uploaded:
15/05/2023
Ab-initio phonon calculation for Ba3AlHO4 / Pnma (62) / materials id 707218
Description/Abstract:
Ab-initio phonon calculation for Ba3AlHO4 / Pnma (62) Phonon band structure, phonon DOS, thermal properties at constant volume, and phono...
Keyword:
Ba3AlHO4
,
Phonon
, and
Pnma (62)
Resource Type:
Dataset
Data origin:
simulation
Author:
Atsushi Togo
Date Uploaded:
15/05/2023
Ab-initio phonon calculation for Y2Si2O7 / Pnma (62) / materials id 17404
Description/Abstract:
Ab-initio phonon calculation for Y2Si2O7 / Pnma (62) Phonon band structure, phonon DOS, thermal properties at constant volume, and phonon...
Keyword:
Phonon
,
Pnma (62)
, and
Y2Si2O7
Resource Type:
Dataset
Data origin:
simulation
Author:
Atsushi Togo
Date Uploaded:
15/05/2023
Ab-initio phonon calculation for HoTeClO3 / Pnma (62) / materials id 559805
Description/Abstract:
Ab-initio phonon calculation for HoTeClO3 / Pnma (62) Phonon band structure, phonon DOS, thermal properties at constant volume, and phono...
Keyword:
HoTeClO3
,
Phonon
, and
Pnma (62)
Resource Type:
Dataset
Data origin:
simulation
Author:
Atsushi Togo
Date Uploaded:
15/05/2023
Ab-initio phonon calculation for Ba(CuTe)2 / Pnma (62) / materials id 30133
Description/Abstract:
Ab-initio phonon calculation for Ba(CuTe)2 / Pnma (62) Phonon band structure, phonon DOS, thermal properties at constant volume, and phon...
Keyword:
Ba(CuTe)2
,
Phonon
, and
Pnma (62)
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
Keyword
Phonon
839
Pnma (62)
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839
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Rights Statement Sim
Creative Commons BY Attribution 4.0 International
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
839
spglib
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