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Ab-initio phonon calculation for Ba4PdO6 / R-3c (167) / materials id 782050
Description/Abstract:
Ab-initio phonon calculation for Ba4PdO6 / R-3c (167) Phonon band structure, phonon DOS, thermal properties at constant volume, and phono...
Keyword:
Ba4PdO6
,
Phonon
, and
R-3c (167)
Resource Type:
Dataset
Data origin:
simulation
Author:
Atsushi Togo
Date Uploaded:
26/05/2023
Ab-initio phonon calculation for AlBO3 / R-3c (167) / materials id 8110
Description/Abstract:
Ab-initio phonon calculation for AlBO3 / R-3c (167) Phonon band structure, phonon DOS, thermal properties at constant volume, and phonon ...
Keyword:
AlBO3
,
Phonon
, and
R-3c (167)
Resource Type:
Dataset
Data origin:
simulation
Author:
Atsushi Togo
Date Uploaded:
26/05/2023
Ab-initio phonon calculation for NaBS2 / R-3c (167) / materials id 15011
Description/Abstract:
Ab-initio phonon calculation for NaBS2 / R-3c (167) Phonon band structure, phonon DOS, thermal properties at constant volume, and phonon ...
Keyword:
NaBS2
,
Phonon
, and
R-3c (167)
Resource Type:
Dataset
Data origin:
simulation
Author:
Atsushi Togo
Date Uploaded:
26/05/2023
Ab-initio phonon calculation for Sr3HoRhO6 / R-3c (167) / materials id 18652
Description/Abstract:
Ab-initio phonon calculation for Sr3HoRhO6 / R-3c (167) Phonon band structure, phonon DOS, thermal properties at constant volume, and pho...
Keyword:
Phonon
,
R-3c (167)
, and
Sr3HoRhO6
Resource Type:
Dataset
Data origin:
simulation
Author:
Atsushi Togo
Date Uploaded:
26/05/2023
Ab-initio phonon calculation for AgHg3SbO6 / R-3c (167) / materials id 12362
Description/Abstract:
Ab-initio phonon calculation for AgHg3SbO6 / R-3c (167) Phonon band structure, phonon DOS, thermal properties at constant volume, and pho...
Keyword:
AgHg3SbO6
,
Phonon
, and
R-3c (167)
Resource Type:
Dataset
Data origin:
simulation
Author:
Atsushi Togo
Date Uploaded:
25/05/2023
Ab-initio phonon calculation for Ba3NaTaO6 / R-3c (167) / materials id 8961
Description/Abstract:
Ab-initio phonon calculation for Ba3NaTaO6 / R-3c (167) Phonon band structure, phonon DOS, thermal properties at constant volume, and pho...
Keyword:
Ba3NaTaO6
,
Phonon
, and
R-3c (167)
Resource Type:
Dataset
Data origin:
simulation
Author:
Atsushi Togo
Date Uploaded:
25/05/2023
Ab-initio phonon calculation for Ag3BO3 / R-3c (167) / materials id 561550
Description/Abstract:
Ab-initio phonon calculation for Ag3BO3 / R-3c (167) Phonon band structure, phonon DOS, thermal properties at constant volume, and phonon...
Keyword:
Ag3BO3
,
Phonon
, and
R-3c (167)
Resource Type:
Dataset
Data origin:
simulation
Author:
Atsushi Togo
Date Uploaded:
25/05/2023
Ab-initio phonon calculation for Tm2S3 / R-3c (167) / materials id 14787
Description/Abstract:
Ab-initio phonon calculation for Tm2S3 / R-3c (167) Phonon band structure, phonon DOS, thermal properties at constant volume, and phonon ...
Keyword:
Phonon
,
R-3c (167)
, and
Tm2S3
Resource Type:
Dataset
Data origin:
simulation
Author:
Atsushi Togo
Date Uploaded:
25/05/2023
Ab-initio phonon calculation for NaZr2(AsO4)3 / R-3c (167) / materials id 553912
Description/Abstract:
Ab-initio phonon calculation for NaZr2(AsO4)3 / R-3c (167) Phonon band structure, phonon DOS, thermal properties at constant volume, and ...
Keyword:
NaZr2(AsO4)3
,
Phonon
, and
R-3c (167)
Resource Type:
Dataset
Data origin:
simulation
Author:
Atsushi Togo
Date Uploaded:
25/05/2023
Ab-initio phonon calculation for CdCO3 / R-3c (167) / materials id 4385
Description/Abstract:
Ab-initio phonon calculation for CdCO3 / R-3c (167) Phonon band structure, phonon DOS, thermal properties at constant volume, and phonon ...
Keyword:
CdCO3
,
Phonon
, and
R-3c (167)
Resource Type:
Dataset
Data origin:
simulation
Author:
Atsushi Togo
Date Uploaded:
25/05/2023
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152
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MDR phonon calculation database
152
Keyword
Phonon
152
R-3c (167)
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NIMS
152
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152
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152
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Atsushi Togo
152
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MEXT
152
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VASP
152
phonopy
152
spglib
152