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Pnma (62)
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821.
Ab-initio phonon calculation for KBaPSe4 / Pnma (62) / materials id 18156
Description/Abstract:
Ab-initio phonon calculation for KBaPSe4 / Pnma (62) Phonon band structure, phonon DOS, thermal properties at constant volume, and phonon...
Keyword:
KBaPSe4
,
Phonon
, and
Pnma (62)
Resource Type:
Dataset
Data origin:
simulation
Author:
Atsushi Togo
Date Uploaded:
15/05/2023
822.
Ab-initio phonon calculation for La2Se2O / Pnma (62) / materials id 752418
Description/Abstract:
Ab-initio phonon calculation for La2Se2O / Pnma (62) Phonon band structure, phonon DOS, thermal properties at constant volume, and phonon...
Keyword:
La2Se2O
,
Phonon
, and
Pnma (62)
Resource Type:
Dataset
Data origin:
simulation
Author:
Atsushi Togo
Date Uploaded:
15/05/2023
823.
Ab-initio phonon calculation for Mg(SiB6)2 / Pnma (62) / materials id 567224
Description/Abstract:
Ab-initio phonon calculation for Mg(SiB6)2 / Pnma (62) Phonon band structure, phonon DOS, thermal properties at constant volume, and phon...
Keyword:
Mg(SiB6)2
,
Phonon
, and
Pnma (62)
Resource Type:
Dataset
Data origin:
simulation
Author:
Atsushi Togo
Date Uploaded:
15/05/2023
824.
Ab-initio phonon calculation for RbClO4 / Pnma (62) / materials id 28433
Description/Abstract:
Ab-initio phonon calculation for RbClO4 / Pnma (62) Phonon band structure, phonon DOS, thermal properties at constant volume, and phonon ...
Keyword:
Phonon
,
Pnma (62)
, and
RbClO4
Resource Type:
Dataset
Data origin:
simulation
Author:
Atsushi Togo
Date Uploaded:
15/05/2023
825.
Ab-initio phonon calculation for TlCdBr3 / Pnma (62) / materials id 28219
Description/Abstract:
Ab-initio phonon calculation for TlCdBr3 / Pnma (62) Phonon band structure, phonon DOS, thermal properties at constant volume, and phonon...
Keyword:
Phonon
,
Pnma (62)
, and
TlCdBr3
Resource Type:
Dataset
Data origin:
simulation
Author:
Atsushi Togo
Date Uploaded:
15/05/2023
826.
Ab-initio phonon calculation for RbBaTaS4 / Pnma (62) / materials id 867884
Description/Abstract:
Ab-initio phonon calculation for RbBaTaS4 / Pnma (62) Phonon band structure, phonon DOS, thermal properties at constant volume, and phono...
Keyword:
Phonon
,
Pnma (62)
, and
RbBaTaS4
Resource Type:
Dataset
Data origin:
simulation
Author:
Atsushi Togo
Date Uploaded:
15/05/2023
827.
Ab-initio phonon calculation for CrSbSe3 / Pnma (62) / materials id 15236
Description/Abstract:
Ab-initio phonon calculation for CrSbSe3 / Pnma (62) Phonon band structure, phonon DOS, thermal properties at constant volume, and phonon...
Keyword:
CrSbSe3
,
Phonon
, and
Pnma (62)
Resource Type:
Dataset
Data origin:
simulation
Author:
Atsushi Togo
Date Uploaded:
15/05/2023
828.
Ab-initio phonon calculation for BaDy2ZnO5 / Pnma (62) / materials id 6643
Description/Abstract:
Ab-initio phonon calculation for BaDy2ZnO5 / Pnma (62) Phonon band structure, phonon DOS, thermal properties at constant volume, and phon...
Keyword:
BaDy2ZnO5
,
Phonon
, and
Pnma (62)
Resource Type:
Dataset
Data origin:
simulation
Author:
Atsushi Togo
Date Uploaded:
15/05/2023
829.
Ab-initio phonon calculation for CdSeO4 / Pnma (62) / materials id 779156
Description/Abstract:
Ab-initio phonon calculation for CdSeO4 / Pnma (62) Phonon band structure, phonon DOS, thermal properties at constant volume, and phonon ...
Keyword:
CdSeO4
,
Phonon
, and
Pnma (62)
Resource Type:
Dataset
Data origin:
simulation
Author:
Atsushi Togo
Date Uploaded:
15/05/2023
830.
Ab-initio phonon calculation for Sr2BN2Cl / Pnma (62) / materials id 23131
Description/Abstract:
Ab-initio phonon calculation for Sr2BN2Cl / Pnma (62) Phonon band structure, phonon DOS, thermal properties at constant volume, and phono...
Keyword:
Phonon
,
Pnma (62)
, and
Sr2BN2Cl
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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839
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Creative Commons BY Attribution 4.0 International
839
Data origin
simulation
839
Author
Atsushi Togo
839
Funder
MEXT
839
Software
VASP
839
phonopy
839
spglib
839