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P6_3/mmc (194)
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Ab-initio phonon calculation for Ba3MgSb2O9 / P6_3/mmc (194) / materials id 16978
Description/Abstract:
Ab-initio phonon calculation for Ba3MgSb2O9 / P6_3/mmc (194) Phonon band structure, phonon DOS, thermal properties at constant volume, an...
Keyword:
Ba3MgSb2O9
,
P6_3/mmc (194)
, and
Phonon
Resource Type:
Dataset
Data origin:
simulation
Author:
Atsushi Togo
Date Uploaded:
26/05/2023
Ab-initio phonon calculation for KZnSb / P6_3/mmc (194) / materials id 7438
Description/Abstract:
Ab-initio phonon calculation for KZnSb / P6_3/mmc (194) Phonon band structure, phonon DOS, thermal properties at constant volume, and pho...
Keyword:
KZnSb
,
P6_3/mmc (194)
, and
Phonon
Resource Type:
Dataset
Data origin:
simulation
Author:
Atsushi Togo
Date Uploaded:
25/05/2023
Ab-initio phonon calculation for KNbSe2 / P6_3/mmc (194) / materials id 7940
Description/Abstract:
Ab-initio phonon calculation for KNbSe2 / P6_3/mmc (194) Phonon band structure, phonon DOS, thermal properties at constant volume, and ph...
Keyword:
KNbSe2
,
P6_3/mmc (194)
, and
Phonon
Resource Type:
Dataset
Data origin:
simulation
Author:
Atsushi Togo
Date Uploaded:
25/05/2023
Ab-initio phonon calculation for Pr(CdP)3 / P6_3/mmc (194) / materials id 10334
Description/Abstract:
Ab-initio phonon calculation for Pr(CdP)3 / P6_3/mmc (194) Phonon band structure, phonon DOS, thermal properties at constant volume, and ...
Keyword:
P6_3/mmc (194)
,
Phonon
, and
Pr(CdP)3
Resource Type:
Dataset
Data origin:
simulation
Author:
Atsushi Togo
Date Uploaded:
25/05/2023
Ab-initio phonon calculation for KCuTe / P6_3/mmc (194) / materials id 7436
Description/Abstract:
Ab-initio phonon calculation for KCuTe / P6_3/mmc (194) Phonon band structure, phonon DOS, thermal properties at constant volume, and pho...
Keyword:
KCuTe
,
P6_3/mmc (194)
, and
Phonon
Resource Type:
Dataset
Data origin:
simulation
Author:
Atsushi Togo
Date Uploaded:
25/05/2023
Ab-initio phonon calculation for AsF5 / P6_3/mmc (194) / materials id 8723
Description/Abstract:
Ab-initio phonon calculation for AsF5 / P6_3/mmc (194) Phonon band structure, phonon DOS, thermal properties at constant volume, and phon...
Keyword:
AsF5
,
P6_3/mmc (194)
, and
Phonon
Resource Type:
Dataset
Data origin:
simulation
Author:
Atsushi Togo
Date Uploaded:
25/05/2023
Ab-initio phonon calculation for GaAgO2 / P6_3/mmc (194) / materials id 11020
Description/Abstract:
Ab-initio phonon calculation for GaAgO2 / P6_3/mmc (194) Phonon band structure, phonon DOS, thermal properties at constant volume, and ph...
Keyword:
GaAgO2
,
P6_3/mmc (194)
, and
Phonon
Resource Type:
Dataset
Data origin:
simulation
Author:
Atsushi Togo
Date Uploaded:
25/05/2023
Ab-initio phonon calculation for Al11InO17 / P6_3/mmc (194) / materials id 766248
Description/Abstract:
Ab-initio phonon calculation for Al11InO17 / P6_3/mmc (194) Phonon band structure, phonon DOS, thermal properties at constant volume, and...
Keyword:
Al11InO17
,
P6_3/mmc (194)
, and
Phonon
Resource Type:
Dataset
Data origin:
simulation
Author:
Atsushi Togo
Date Uploaded:
25/05/2023
Ab-initio phonon calculation for Rb3ClO / P6_3/mmc (194) / materials id 772199
Description/Abstract:
Ab-initio phonon calculation for Rb3ClO / P6_3/mmc (194) Phonon band structure, phonon DOS, thermal properties at constant volume, and ph...
Keyword:
P6_3/mmc (194)
,
Phonon
, and
Rb3ClO
Resource Type:
Dataset
Data origin:
simulation
Author:
Atsushi Togo
Date Uploaded:
25/05/2023
Ab-initio phonon calculation for GaTe / P6_3/mmc (194) / materials id 10009
Description/Abstract:
Ab-initio phonon calculation for GaTe / P6_3/mmc (194) Phonon band structure, phonon DOS, thermal properties at constant volume, and phon...
Keyword:
GaTe
,
P6_3/mmc (194)
, and
Phonon
Resource Type:
Dataset
Data origin:
simulation
Author:
Atsushi Togo
Date Uploaded:
25/05/2023
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Dataset
176
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MDR phonon calculation database
176
Keyword
P6_3/mmc (194)
[remove]
176
Phonon
176
BN
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SiO2
3
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NIMS
176
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Rights Statement Sim
Creative Commons BY Attribution 4.0 International
176
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176
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Atsushi Togo
176
Funder
MEXT
176
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VASP
176
phonopy
176
spglib
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