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Ab-initio phonon calculation for SrSc2O4 / Fd-3m (227) / materials id 754114
Description/Abstract:
Ab-initio phonon calculation for SrSc2O4 / Fd-3m (227) Phonon band structure, phonon DOS, thermal properties at constant volume, and phon...
Keyword:
Fd-3m (227)
,
Phonon
, and
SrSc2O4
Resource Type:
Dataset
Data origin:
simulation
Author:
Atsushi Togo
Date Uploaded:
24/05/2023
Ab-initio phonon calculation for Zn(RhO2)2 / Fd-3m (227) / materials id 5146
Description/Abstract:
Ab-initio phonon calculation for Zn(RhO2)2 / Fd-3m (227) Phonon band structure, phonon DOS, thermal properties at constant volume, and ph...
Keyword:
Fd-3m (227)
,
Phonon
, and
Zn(RhO2)2
Resource Type:
Dataset
Data origin:
simulation
Author:
Atsushi Togo
Date Uploaded:
24/05/2023
Ab-initio phonon calculation for CsScO2 / Fd-3m (227) / materials id 754826
Description/Abstract:
Ab-initio phonon calculation for CsScO2 / Fd-3m (227) Phonon band structure, phonon DOS, thermal properties at constant volume, and phono...
Keyword:
CsScO2
,
Fd-3m (227)
, and
Phonon
Resource Type:
Dataset
Data origin:
simulation
Author:
Atsushi Togo
Date Uploaded:
24/05/2023
Ab-initio phonon calculation for Sc2MnS4 / Fd-3m (227) / materials id 3930
Description/Abstract:
Ab-initio phonon calculation for Sc2MnS4 / Fd-3m (227) Phonon band structure, phonon DOS, thermal properties at constant volume, and phon...
Keyword:
Fd-3m (227)
,
Phonon
, and
Sc2MnS4
Resource Type:
Dataset
Data origin:
simulation
Author:
Atsushi Togo
Date Uploaded:
24/05/2023
Ab-initio phonon calculation for Tb2Ti2O7 / Fd-3m (227) / materials id 4602
Description/Abstract:
Ab-initio phonon calculation for Tb2Ti2O7 / Fd-3m (227) Phonon band structure, phonon DOS, thermal properties at constant volume, and pho...
Keyword:
Fd-3m (227)
,
Phonon
, and
Tb2Ti2O7
Resource Type:
Dataset
Data origin:
simulation
Author:
Atsushi Togo
Date Uploaded:
24/05/2023
Ab-initio phonon calculation for Nb2Pb2O7 / Fd-3m (227) / materials id 754711
Description/Abstract:
Ab-initio phonon calculation for Nb2Pb2O7 / Fd-3m (227) Phonon band structure, phonon DOS, thermal properties at constant volume, and pho...
Keyword:
Fd-3m (227)
,
Nb2Pb2O7
, and
Phonon
Resource Type:
Dataset
Data origin:
simulation
Author:
Atsushi Togo
Date Uploaded:
24/05/2023
Ab-initio phonon calculation for Er2Sn2O7 / Fd-3m (227) / materials id 3688
Description/Abstract:
Ab-initio phonon calculation for Er2Sn2O7 / Fd-3m (227) Phonon band structure, phonon DOS, thermal properties at constant volume, and pho...
Keyword:
Er2Sn2O7
,
Fd-3m (227)
, and
Phonon
Resource Type:
Dataset
Data origin:
simulation
Author:
Atsushi Togo
Date Uploaded:
24/05/2023
Ab-initio phonon calculation for Dy2Ti2O7 / Fd-3m (227) / materials id 34322
Description/Abstract:
Ab-initio phonon calculation for Dy2Ti2O7 / Fd-3m (227) Phonon band structure, phonon DOS, thermal properties at constant volume, and pho...
Keyword:
Dy2Ti2O7
,
Fd-3m (227)
, and
Phonon
Resource Type:
Dataset
Data origin:
simulation
Author:
Atsushi Togo
Date Uploaded:
24/05/2023
Ab-initio phonon calculation for AlTlO2 / Fd-3m (227) / materials id 14105
Description/Abstract:
Ab-initio phonon calculation for AlTlO2 / Fd-3m (227) Phonon band structure, phonon DOS, thermal properties at constant volume, and phono...
Keyword:
AlTlO2
,
Fd-3m (227)
, and
Phonon
Resource Type:
Dataset
Data origin:
simulation
Author:
Atsushi Togo
Date Uploaded:
23/05/2023
Ab-initio phonon calculation for LiRhO2 / Fd-3m (227) / materials id 14476
Description/Abstract:
Ab-initio phonon calculation for LiRhO2 / Fd-3m (227) Phonon band structure, phonon DOS, thermal properties at constant volume, and phono...
Keyword:
Fd-3m (227)
,
LiRhO2
, and
Phonon
Resource Type:
Dataset
Data origin:
simulation
Author:
Atsushi Togo
Date Uploaded:
23/05/2023
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Type of work
Dataset
142
Collection
MDR phonon calculation database
142
Keyword
Fd-3m (227)
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142
Phonon
142
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NIMS
142
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142
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Creative Commons BY Attribution 4.0 International
142
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simulation
142
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Atsushi Togo
142
Funder
MEXT
142
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VASP
142
phonopy
142
spglib
142