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P6_3/mmc (194)
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Ab-initio phonon calculation for Cs2Ni3S4 / P6_3/mmc (194) / materials id 28486
Description/Abstract:
Ab-initio phonon calculation for Cs2Ni3S4 / P6_3/mmc (194) Phonon band structure, phonon DOS, thermal properties at constant volume, and ...
Keyword:
Cs2Ni3S4
,
P6_3/mmc (194)
, and
Phonon
Resource Type:
Dataset
Data origin:
simulation
Author:
Atsushi Togo
Date Uploaded:
17/05/2023
Ab-initio phonon calculation for K3ScSi2O7 / P6_3/mmc (194) / materials id 557577
Description/Abstract:
Ab-initio phonon calculation for K3ScSi2O7 / P6_3/mmc (194) Phonon band structure, phonon DOS, thermal properties at constant volume, and...
Keyword:
K3ScSi2O7
,
P6_3/mmc (194)
, and
Phonon
Resource Type:
Dataset
Data origin:
simulation
Author:
Atsushi Togo
Date Uploaded:
17/05/2023
Ab-initio phonon calculation for Rb3IO / P6_3/mmc (194) / materials id 29019
Description/Abstract:
Ab-initio phonon calculation for Rb3IO / P6_3/mmc (194) Phonon band structure, phonon DOS, thermal properties at constant volume, and pho...
Keyword:
P6_3/mmc (194)
,
Phonon
, and
Rb3IO
Resource Type:
Dataset
Data origin:
simulation
Author:
Atsushi Togo
Date Uploaded:
17/05/2023
Ab-initio phonon calculation for RbAl11O17 / P6_3/mmc (194) / materials id 766387
Description/Abstract:
Ab-initio phonon calculation for RbAl11O17 / P6_3/mmc (194) Phonon band structure, phonon DOS, thermal properties at constant volume, and...
Keyword:
P6_3/mmc (194)
,
Phonon
, and
RbAl11O17
Resource Type:
Dataset
Data origin:
simulation
Author:
Atsushi Togo
Date Uploaded:
17/05/2023
Ab-initio phonon calculation for Mg3MnH7 / P6_3/mmc (194) / materials id 643573
Description/Abstract:
Ab-initio phonon calculation for Mg3MnH7 / P6_3/mmc (194) Phonon band structure, phonon DOS, thermal properties at constant volume, and p...
Keyword:
Mg3MnH7
,
P6_3/mmc (194)
, and
Phonon
Resource Type:
Dataset
Data origin:
simulation
Author:
Atsushi Togo
Date Uploaded:
17/05/2023
Ab-initio phonon calculation for Ba3Te2O9 / P6_3/mmc (194) / materials id 17009
Description/Abstract:
Ab-initio phonon calculation for Ba3Te2O9 / P6_3/mmc (194) Phonon band structure, phonon DOS, thermal properties at constant volume, and ...
Keyword:
Ba3Te2O9
,
P6_3/mmc (194)
, and
Phonon
Resource Type:
Dataset
Data origin:
simulation
Author:
Atsushi Togo
Date Uploaded:
17/05/2023
Ab-initio phonon calculation for LaF3 / P6_3/mmc (194) / materials id 8354
Description/Abstract:
Ab-initio phonon calculation for LaF3 / P6_3/mmc (194) Phonon band structure, phonon DOS, thermal properties at constant volume, and phon...
Keyword:
LaF3
,
P6_3/mmc (194)
, and
Phonon
Resource Type:
Dataset
Data origin:
simulation
Author:
Atsushi Togo
Date Uploaded:
17/05/2023
Ab-initio phonon calculation for BaTiO3 / P6_3/mmc (194) / materials id 5933
Description/Abstract:
Ab-initio phonon calculation for BaTiO3 / P6_3/mmc (194) Phonon band structure, phonon DOS, thermal properties at constant volume, and ph...
Keyword:
BaTiO3
,
P6_3/mmc (194)
, and
Phonon
Resource Type:
Dataset
Data origin:
simulation
Author:
Atsushi Togo
Date Uploaded:
17/05/2023
Ab-initio phonon calculation for LiCuS / P6_3/mmc (194) / materials id 774712
Description/Abstract:
Ab-initio phonon calculation for LiCuS / P6_3/mmc (194) Phonon band structure, phonon DOS, thermal properties at constant volume, and pho...
Keyword:
LiCuS
,
P6_3/mmc (194)
, and
Phonon
Resource Type:
Dataset
Data origin:
simulation
Author:
Atsushi Togo
Date Uploaded:
17/05/2023
Ab-initio phonon calculation for ScAgO2 / P6_3/mmc (194) / materials id 11022
Description/Abstract:
Ab-initio phonon calculation for ScAgO2 / P6_3/mmc (194) Phonon band structure, phonon DOS, thermal properties at constant volume, and ph...
Keyword:
P6_3/mmc (194)
,
Phonon
, and
ScAgO2
Resource Type:
Dataset
Data origin:
simulation
Author:
Atsushi Togo
Date Uploaded:
17/05/2023
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MDR phonon calculation database
176
Keyword
P6_3/mmc (194)
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NIMS
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176
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Atsushi Togo
176
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MEXT
176
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VASP
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phonopy
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spglib
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