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Ab-initio phonon calculation for Mg(HO)2 / C2 (5) / materials id 626143
Description/Abstract:
Ab-initio phonon calculation for Mg(HO)2 / C2 (5) Phonon band structure, phonon DOS, thermal properties at constant volume, and phonon ra...
Keyword:
C2 (5)
,
Mg(HO)2
, and
Phonon
Resource Type:
Dataset
Data origin:
simulation
Author:
Atsushi Togo
Date Uploaded:
27/05/2023
Ab-initio phonon calculation for SrTeO3 / C2 (5) / materials id 561394
Description/Abstract:
Ab-initio phonon calculation for SrTeO3 / C2 (5) Phonon band structure, phonon DOS, thermal properties at constant volume, and phonon raw...
Keyword:
C2 (5)
,
Phonon
, and
SrTeO3
Resource Type:
Dataset
Data origin:
simulation
Author:
Atsushi Togo
Date Uploaded:
27/05/2023
Ab-initio phonon calculation for LiGaAs2O7 / C2 (5) / materials id 545346
Description/Abstract:
Ab-initio phonon calculation for LiGaAs2O7 / C2 (5) Phonon band structure, phonon DOS, thermal properties at constant volume, and phonon ...
Keyword:
C2 (5)
,
LiGaAs2O7
, and
Phonon
Resource Type:
Dataset
Data origin:
simulation
Author:
Atsushi Togo
Date Uploaded:
27/05/2023
Ab-initio phonon calculation for LiAgF2 / C2 (5) / materials id 752767
Description/Abstract:
Ab-initio phonon calculation for LiAgF2 / C2 (5) Phonon band structure, phonon DOS, thermal properties at constant volume, and phonon raw...
Keyword:
C2 (5)
,
LiAgF2
, and
Phonon
Resource Type:
Dataset
Data origin:
simulation
Author:
Atsushi Togo
Date Uploaded:
26/05/2023
Ab-initio phonon calculation for CaCO3 / C2 (5) / materials id 561412
Description/Abstract:
Ab-initio phonon calculation for CaCO3 / C2 (5) Phonon band structure, phonon DOS, thermal properties at constant volume, and phonon raw ...
Keyword:
C2 (5)
,
CaCO3
, and
Phonon
Resource Type:
Dataset
Data origin:
simulation
Author:
Atsushi Togo
Date Uploaded:
26/05/2023
Ab-initio phonon calculation for K2Dy4Cu4S9 / C2 (5) / materials id 680676
Description/Abstract:
Ab-initio phonon calculation for K2Dy4Cu4S9 / C2 (5) Phonon band structure, phonon DOS, thermal properties at constant volume, and phonon...
Keyword:
C2 (5)
,
K2Dy4Cu4S9
, and
Phonon
Resource Type:
Dataset
Data origin:
simulation
Author:
Atsushi Togo
Date Uploaded:
25/05/2023
Ab-initio phonon calculation for K2ZnH4(I2O7)2 / C2 (5) / materials id 867329
Description/Abstract:
Ab-initio phonon calculation for K2ZnH4(I2O7)2 / C2 (5) Phonon band structure, phonon DOS, thermal properties at constant volume, and pho...
Keyword:
C2 (5)
,
K2ZnH4(I2O7)2
, and
Phonon
Resource Type:
Dataset
Data origin:
simulation
Author:
Atsushi Togo
Date Uploaded:
25/05/2023
Ab-initio phonon calculation for Y2Th8O19 / C2 (5) / materials id 675118
Description/Abstract:
Ab-initio phonon calculation for Y2Th8O19 / C2 (5) Phonon band structure, phonon DOS, thermal properties at constant volume, and phonon r...
Keyword:
C2 (5)
,
Phonon
, and
Y2Th8O19
Resource Type:
Dataset
Data origin:
simulation
Author:
Atsushi Togo
Date Uploaded:
25/05/2023
Ab-initio phonon calculation for Y15TmO24 / C2 (5) / materials id 757001
Description/Abstract:
Ab-initio phonon calculation for Y15TmO24 / C2 (5) Phonon band structure, phonon DOS, thermal properties at constant volume, and phonon r...
Keyword:
C2 (5)
,
Phonon
, and
Y15TmO24
Resource Type:
Dataset
Data origin:
simulation
Author:
Atsushi Togo
Date Uploaded:
25/05/2023
Ab-initio phonon calculation for Na10Zn4O9 / C2 (5) / materials id 36165
Description/Abstract:
Ab-initio phonon calculation for Na10Zn4O9 / C2 (5) Phonon band structure, phonon DOS, thermal properties at constant volume, and phonon ...
Keyword:
C2 (5)
,
Na10Zn4O9
, and
Phonon
Resource Type:
Dataset
Data origin:
simulation
Author:
Atsushi Togo
Date Uploaded:
25/05/2023
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Dataset
59
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MDR phonon calculation database
59
Keyword
C2 (5)
[remove]
59
Phonon
59
Ca(HO)2
2
Ba2Na2B10H2O19
1
BaTi2O5
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NIMS
59
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Dataset
59
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59
Rights Statement Sim
Creative Commons BY Attribution 4.0 International
59
Data origin
simulation
59
Author
Atsushi Togo
59
Funder
MEXT
59
Software
VASP
59
phonopy
59
spglib
59