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P6_3/mmc (194)
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Ab-initio phonon calculation for Ba3BAsO3 / P6_3/mmc (194) / materials id 9793
Description/Abstract:
Ab-initio phonon calculation for Ba3BAsO3 / P6_3/mmc (194) Phonon band structure, phonon DOS, thermal properties at constant volume, and ...
Keyword:
Ba3BAsO3
,
P6_3/mmc (194)
, and
Phonon
Resource Type:
Dataset
Data origin:
simulation
Author:
Atsushi Togo
Date Uploaded:
16/05/2023
Ab-initio phonon calculation for Rb3Os2Br9 / P6_3/mmc (194) / materials id 30167
Description/Abstract:
Ab-initio phonon calculation for Rb3Os2Br9 / P6_3/mmc (194) Phonon band structure, phonon DOS, thermal properties at constant volume, and...
Keyword:
P6_3/mmc (194)
,
Phonon
, and
Rb3Os2Br9
Resource Type:
Dataset
Data origin:
simulation
Author:
Atsushi Togo
Date Uploaded:
16/05/2023
Ab-initio phonon calculation for NaAl11O17 / P6_3/mmc (194) / materials id 3405
Description/Abstract:
Ab-initio phonon calculation for NaAl11O17 / P6_3/mmc (194) Phonon band structure, phonon DOS, thermal properties at constant volume, and...
Keyword:
NaAl11O17
,
P6_3/mmc (194)
, and
Phonon
Resource Type:
Dataset
Data origin:
simulation
Author:
Atsushi Togo
Date Uploaded:
16/05/2023
Ab-initio phonon calculation for CsVCl3 / P6_3/mmc (194) / materials id 22977
Description/Abstract:
Ab-initio phonon calculation for CsVCl3 / P6_3/mmc (194) Phonon band structure, phonon DOS, thermal properties at constant volume, and ph...
Keyword:
CsVCl3
,
P6_3/mmc (194)
, and
Phonon
Resource Type:
Dataset
Data origin:
simulation
Author:
Atsushi Togo
Date Uploaded:
16/05/2023
Ab-initio phonon calculation for Cs3Ru2Cl9 / P6_3/mmc (194) / materials id 541646
Description/Abstract:
Ab-initio phonon calculation for Cs3Ru2Cl9 / P6_3/mmc (194) Phonon band structure, phonon DOS, thermal properties at constant volume, and...
Keyword:
Cs3Ru2Cl9
,
P6_3/mmc (194)
, and
Phonon
Resource Type:
Dataset
Data origin:
simulation
Author:
Atsushi Togo
Date Uploaded:
16/05/2023
Ab-initio phonon calculation for Na3P / P6_3/mmc (194) / materials id 1598
Description/Abstract:
Ab-initio phonon calculation for Na3P / P6_3/mmc (194) Phonon band structure, phonon DOS, thermal properties at constant volume, and phon...
Keyword:
Na3P
,
P6_3/mmc (194)
, and
Phonon
Resource Type:
Dataset
Data origin:
simulation
Author:
Atsushi Togo
Date Uploaded:
16/05/2023
Ab-initio phonon calculation for ScTlS2 / P6_3/mmc (194) / materials id 13312
Description/Abstract:
Ab-initio phonon calculation for ScTlS2 / P6_3/mmc (194) Phonon band structure, phonon DOS, thermal properties at constant volume, and ph...
Keyword:
P6_3/mmc (194)
,
Phonon
, and
ScTlS2
Resource Type:
Dataset
Data origin:
simulation
Author:
Atsushi Togo
Date Uploaded:
16/05/2023
Ab-initio phonon calculation for Mg3BN3 / P6_3/mmc (194) / materials id 28955
Description/Abstract:
Ab-initio phonon calculation for Mg3BN3 / P6_3/mmc (194) Phonon band structure, phonon DOS, thermal properties at constant volume, and ph...
Keyword:
Mg3BN3
,
P6_3/mmc (194)
, and
Phonon
Resource Type:
Dataset
Data origin:
simulation
Author:
Atsushi Togo
Date Uploaded:
16/05/2023
Ab-initio phonon calculation for SrTiO3 / P6_3/mmc (194) / materials id 776018
Description/Abstract:
Ab-initio phonon calculation for SrTiO3 / P6_3/mmc (194) Phonon band structure, phonon DOS, thermal properties at constant volume, and ph...
Keyword:
P6_3/mmc (194)
,
Phonon
, and
SrTiO3
Resource Type:
Dataset
Data origin:
simulation
Author:
Atsushi Togo
Date Uploaded:
17/05/2023
Ab-initio phonon calculation for LuGaO3 / P6_3/mmc (194) / materials id 755342
Description/Abstract:
Ab-initio phonon calculation for LuGaO3 / P6_3/mmc (194) Phonon band structure, phonon DOS, thermal properties at constant volume, and ph...
Keyword:
LuGaO3
,
P6_3/mmc (194)
, and
Phonon
Resource Type:
Dataset
Data origin:
simulation
Author:
Atsushi Togo
Date Uploaded:
17/05/2023
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MDR phonon calculation database
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P6_3/mmc (194)
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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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spglib
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