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Ab-initio phonon calculation for Ca2HN / Fd-3m (227) / materials id 24119
Description/Abstract:
Ab-initio phonon calculation for Ca2HN / Fd-3m (227) Phonon band structure, phonon DOS, thermal properties at constant volume, and phonon...
Keyword:
Ca2HN
,
Fd-3m (227)
, and
Phonon
Resource Type:
Dataset
Data origin:
simulation
Author:
Atsushi Togo
Date Uploaded:
25/05/2023
Ab-initio phonon calculation for Tm2MgSe4 / Fd-3m (227) / materials id 15802
Description/Abstract:
Ab-initio phonon calculation for Tm2MgSe4 / Fd-3m (227) Phonon band structure, phonon DOS, thermal properties at constant volume, and pho...
Keyword:
Fd-3m (227)
,
Phonon
, and
Tm2MgSe4
Resource Type:
Dataset
Data origin:
simulation
Author:
Atsushi Togo
Date Uploaded:
25/05/2023
Ab-initio phonon calculation for Dy2CdSe4 / Fd-3m (227) / materials id 570959
Description/Abstract:
Ab-initio phonon calculation for Dy2CdSe4 / Fd-3m (227) Phonon band structure, phonon DOS, thermal properties at constant volume, and pho...
Keyword:
Dy2CdSe4
,
Fd-3m (227)
, and
Phonon
Resource Type:
Dataset
Data origin:
simulation
Author:
Atsushi Togo
Date Uploaded:
25/05/2023
Ab-initio phonon calculation for Tb2Sn2O7 / Fd-3m (227) / materials id 4991
Description/Abstract:
Ab-initio phonon calculation for Tb2Sn2O7 / Fd-3m (227) Phonon band structure, phonon DOS, thermal properties at constant volume, and pho...
Keyword:
Fd-3m (227)
,
Phonon
, and
Tb2Sn2O7
Resource Type:
Dataset
Data origin:
simulation
Author:
Atsushi Togo
Date Uploaded:
25/05/2023
Ab-initio phonon calculation for Sn2Bi2O7 / Fd-3m (227) / materials id 23372
Description/Abstract:
Ab-initio phonon calculation for Sn2Bi2O7 / Fd-3m (227) Phonon band structure, phonon DOS, thermal properties at constant volume, and pho...
Keyword:
Fd-3m (227)
,
Phonon
, and
Sn2Bi2O7
Resource Type:
Dataset
Data origin:
simulation
Author:
Atsushi Togo
Date Uploaded:
25/05/2023
Ab-initio phonon calculation for KBiF4 / Fd-3m (227) / materials id 581857
Description/Abstract:
Ab-initio phonon calculation for KBiF4 / Fd-3m (227) Phonon band structure, phonon DOS, thermal properties at constant volume, and phonon...
Keyword:
Fd-3m (227)
,
KBiF4
, and
Phonon
Resource Type:
Dataset
Data origin:
simulation
Author:
Atsushi Togo
Date Uploaded:
25/05/2023
Ab-initio phonon calculation for Tm2Sn2O7 / Fd-3m (227) / materials id 3334
Description/Abstract:
Ab-initio phonon calculation for Tm2Sn2O7 / Fd-3m (227) Phonon band structure, phonon DOS, thermal properties at constant volume, and pho...
Keyword:
Fd-3m (227)
,
Phonon
, and
Tm2Sn2O7
Resource Type:
Dataset
Data origin:
simulation
Author:
Atsushi Togo
Date Uploaded:
25/05/2023
Ab-initio phonon calculation for RbBiF4 / Fd-3m (227) / materials id 615746
Description/Abstract:
Ab-initio phonon calculation for RbBiF4 / Fd-3m (227) Phonon band structure, phonon DOS, thermal properties at constant volume, and phono...
Keyword:
Fd-3m (227)
,
Phonon
, and
RbBiF4
Resource Type:
Dataset
Data origin:
simulation
Author:
Atsushi Togo
Date Uploaded:
25/05/2023
Ab-initio phonon calculation for Y2CdS4 / Fd-3m (227) / materials id 35785
Description/Abstract:
Ab-initio phonon calculation for Y2CdS4 / Fd-3m (227) Phonon band structure, phonon DOS, thermal properties at constant volume, and phono...
Keyword:
Fd-3m (227)
,
Phonon
, and
Y2CdS4
Resource Type:
Dataset
Data origin:
simulation
Author:
Atsushi Togo
Date Uploaded:
25/05/2023
Ab-initio phonon calculation for ZnIn2O4 / Fd-3m (227) / materials id 756297
Description/Abstract:
Ab-initio phonon calculation for ZnIn2O4 / Fd-3m (227) Phonon band structure, phonon DOS, thermal properties at constant volume, and phon...
Keyword:
Fd-3m (227)
,
Phonon
, and
ZnIn2O4
Resource Type:
Dataset
Data origin:
simulation
Author:
Atsushi Togo
Date Uploaded:
25/05/2023
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Type of work
Dataset
142
Collection
MDR phonon calculation database
142
Keyword
Fd-3m (227)
[remove]
142
Phonon
142
Al2CdO4
1
Al2CdSe4
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NIMS
142
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142
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142
Rights Statement Sim
Creative Commons BY Attribution 4.0 International
142
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simulation
142
Author
Atsushi Togo
142
Funder
MEXT
142
Software
VASP
142
phonopy
142
spglib
142