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Atsushi Togo
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VASP
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P2/c (13)
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Ab-initio phonon calculation for LuNbO4 / P2/c (13) / materials id 754614
Description/Abstract:
Ab-initio phonon calculation for LuNbO4 / P2/c (13) Phonon band structure, phonon DOS, thermal properties at constant volume, and phonon ...
Keyword:
LuNbO4
,
P2/c (13)
, and
Phonon
Resource Type:
Dataset
Data origin:
simulation
Author:
Atsushi Togo
Date Uploaded:
26/05/2023
Ab-initio phonon calculation for NbTeI3 / P2/c (13) / materials id 540924
Description/Abstract:
Ab-initio phonon calculation for NbTeI3 / P2/c (13) Phonon band structure, phonon DOS, thermal properties at constant volume, and phonon ...
Keyword:
NbTeI3
,
P2/c (13)
, and
Phonon
Resource Type:
Dataset
Data origin:
simulation
Author:
Atsushi Togo
Date Uploaded:
26/05/2023
Ab-initio phonon calculation for TbTaO4 / P2/c (13) / materials id 12932
Description/Abstract:
Ab-initio phonon calculation for TbTaO4 / P2/c (13) Phonon band structure, phonon DOS, thermal properties at constant volume, and phonon ...
Keyword:
P2/c (13)
,
Phonon
, and
TbTaO4
Resource Type:
Dataset
Data origin:
simulation
Author:
Atsushi Togo
Date Uploaded:
26/05/2023
Ab-initio phonon calculation for Al2O3 / P2/c (13) / materials id 759943
Description/Abstract:
Ab-initio phonon calculation for Al2O3 / P2/c (13) Phonon band structure, phonon DOS, thermal properties at constant volume, and phonon r...
Keyword:
Al2O3
,
P2/c (13)
, and
Phonon
Resource Type:
Dataset
Data origin:
simulation
Author:
Atsushi Togo
Date Uploaded:
26/05/2023
Ab-initio phonon calculation for Hg2SO4 / P2/c (13) / materials id 7461
Description/Abstract:
Ab-initio phonon calculation for Hg2SO4 / P2/c (13) Phonon band structure, phonon DOS, thermal properties at constant volume, and phonon ...
Keyword:
Hg2SO4
,
P2/c (13)
, and
Phonon
Resource Type:
Dataset
Data origin:
simulation
Author:
Atsushi Togo
Date Uploaded:
26/05/2023
Ab-initio phonon calculation for ScNbO4 / P2/c (13) / materials id 553961
Description/Abstract:
Ab-initio phonon calculation for ScNbO4 / P2/c (13) Phonon band structure, phonon DOS, thermal properties at constant volume, and phonon ...
Keyword:
P2/c (13)
,
Phonon
, and
ScNbO4
Resource Type:
Dataset
Data origin:
simulation
Author:
Atsushi Togo
Date Uploaded:
25/05/2023
Ab-initio phonon calculation for RbZnH2Se2BrO6 / P2/c (13) / materials id 867132
Description/Abstract:
Ab-initio phonon calculation for RbZnH2Se2BrO6 / P2/c (13) Phonon band structure, phonon DOS, thermal properties at constant volume, and ...
Keyword:
P2/c (13)
,
Phonon
, and
RbZnH2Se2BrO6
Resource Type:
Dataset
Data origin:
simulation
Author:
Atsushi Togo
Date Uploaded:
25/05/2023
Ab-initio phonon calculation for KRe2O4F7 / P2/c (13) / materials id 555490
Description/Abstract:
Ab-initio phonon calculation for KRe2O4F7 / P2/c (13) Phonon band structure, phonon DOS, thermal properties at constant volume, and phono...
Keyword:
KRe2O4F7
,
P2/c (13)
, and
Phonon
Resource Type:
Dataset
Data origin:
simulation
Author:
Atsushi Togo
Date Uploaded:
25/05/2023
Ab-initio phonon calculation for Sb3O4F / P2/c (13) / materials id 753510
Description/Abstract:
Ab-initio phonon calculation for Sb3O4F / P2/c (13) Phonon band structure, phonon DOS, thermal properties at constant volume, and phonon ...
Keyword:
P2/c (13)
,
Phonon
, and
Sb3O4F
Resource Type:
Dataset
Data origin:
simulation
Author:
Atsushi Togo
Date Uploaded:
25/05/2023
Ab-initio phonon calculation for AlTlBr4 / P2/c (13) / materials id 567878
Description/Abstract:
Ab-initio phonon calculation for AlTlBr4 / P2/c (13) Phonon band structure, phonon DOS, thermal properties at constant volume, and phonon...
Keyword:
AlTlBr4
,
P2/c (13)
, and
Phonon
Resource Type:
Dataset
Data origin:
simulation
Author:
Atsushi Togo
Date Uploaded:
25/05/2023
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MDR phonon calculation database
83
Keyword
P2/c (13)
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Atsushi Togo
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MEXT
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VASP
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phonopy
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