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Ab-initio phonon calculation for Ba2H6Pt / Cmce (64) / materials id 643253
Description/Abstract:
Ab-initio phonon calculation for Ba2H6Pt / Cmce (64) Phonon band structure, phonon DOS, thermal properties at constant volume, and phonon...
Keyword:
Ba2H6Pt
,
Cmce (64)
, and
Phonon
Resource Type:
Dataset
Data origin:
simulation
Author:
Atsushi Togo
Date Uploaded:
22/05/2023
Ab-initio phonon calculation for K4I2O / I4/mmm (139) / materials id 768368
Description/Abstract:
Ab-initio phonon calculation for K4I2O / I4/mmm (139) Phonon band structure, phonon DOS, thermal properties at constant volume, and phono...
Keyword:
I4/mmm (139)
,
K4I2O
, and
Phonon
Resource Type:
Dataset
Data origin:
simulation
Author:
Atsushi Togo
Date Uploaded:
22/05/2023
Ab-initio phonon calculation for PrF3 / P-3c1 (165) / materials id 2651
Description/Abstract:
Ab-initio phonon calculation for PrF3 / P-3c1 (165) Phonon band structure, phonon DOS, thermal properties at constant volume, and phonon ...
Keyword:
P-3c1 (165)
,
Phonon
, and
PrF3
Resource Type:
Dataset
Data origin:
simulation
Author:
Atsushi Togo
Date Uploaded:
22/05/2023
Ab-initio phonon calculation for Sc2S3 / Fddd (70) / materials id 401
Description/Abstract:
Ab-initio phonon calculation for Sc2S3 / Fddd (70) Phonon band structure, phonon DOS, thermal properties at constant volume, and phonon r...
Keyword:
Fddd (70)
,
Phonon
, and
Sc2S3
Resource Type:
Dataset
Data origin:
simulation
Author:
Atsushi Togo
Date Uploaded:
22/05/2023
Ab-initio phonon calculation for YCuS2 / Pnma (62) / materials id 10533
Description/Abstract:
Ab-initio phonon calculation for YCuS2 / Pnma (62) Phonon band structure, phonon DOS, thermal properties at constant volume, and phonon r...
Keyword:
Phonon
,
Pnma (62)
, and
YCuS2
Resource Type:
Dataset
Data origin:
simulation
Author:
Atsushi Togo
Date Uploaded:
22/05/2023
Ab-initio phonon calculation for PrZnSbO / P4/nmm (129) / materials id 975646
Description/Abstract:
Ab-initio phonon calculation for PrZnSbO / P4/nmm (129) Phonon band structure, phonon DOS, thermal properties at constant volume, and pho...
Keyword:
P4/nmm (129)
,
Phonon
, and
PrZnSbO
Resource Type:
Dataset
Data origin:
simulation
Author:
Atsushi Togo
Date Uploaded:
22/05/2023
Ab-initio phonon calculation for ZnS / P6_3mc (186) / materials id 560588
Description/Abstract:
Ab-initio phonon calculation for ZnS / P6_3mc (186) Phonon band structure, phonon DOS, thermal properties at constant volume, and phonon ...
Keyword:
P6_3mc (186)
,
Phonon
, and
ZnS
Resource Type:
Dataset
Data origin:
simulation
Author:
Atsushi Togo
Date Uploaded:
22/05/2023
Ab-initio phonon calculation for KAlSiO4 / P6_3 (173) / materials id 680374
Description/Abstract:
Ab-initio phonon calculation for KAlSiO4 / P6_3 (173) Phonon band structure, phonon DOS, thermal properties at constant volume, and phono...
Keyword:
KAlSiO4
,
P6_3 (173)
, and
Phonon
Resource Type:
Dataset
Data origin:
simulation
Author:
Atsushi Togo
Date Uploaded:
22/05/2023
Ab-initio phonon calculation for Li6Bi(BO3)3 / P2_1/c (14) / materials id 770280
Description/Abstract:
Ab-initio phonon calculation for Li6Bi(BO3)3 / P2_1/c (14) Phonon band structure, phonon DOS, thermal properties at constant volume, and ...
Keyword:
Li6Bi(BO3)3
,
P2_1/c (14)
, and
Phonon
Resource Type:
Dataset
Data origin:
simulation
Author:
Atsushi Togo
Date Uploaded:
22/05/2023
Ab-initio phonon calculation for LaSc3(BO3)4 / C2/c (15) / materials id 6217
Description/Abstract:
Ab-initio phonon calculation for LaSc3(BO3)4 / C2/c (15) Phonon band structure, phonon DOS, thermal properties at constant volume, and ph...
Keyword:
C2/c (15)
,
LaSc3(BO3)4
, and
Phonon
Resource Type:
Dataset
Data origin:
simulation
Author:
Atsushi Togo
Date Uploaded:
22/05/2023
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10,034
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MDR phonon calculation database
10,034
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Phonon
10,034
P2_1/c (14)
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NIMS
10,034
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10,034
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10,034
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Creative Commons BY Attribution 4.0 International
10,034
Data origin
simulation
[remove]
10,034
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Atsushi Togo
10,034
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MEXT
10,034
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VASP
10,034
phonopy
10,034
spglib
10,034