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P6_3/mmc (194)
Remove constraint Keyword: P6_3/mmc (194)
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Ab-initio phonon calculation for Ba2AlInO5 / P6_3/mmc (194) / materials id 556282
Description/Abstract:
Ab-initio phonon calculation for Ba2AlInO5 / P6_3/mmc (194) Phonon band structure, phonon DOS, thermal properties at constant volume, and...
Keyword:
Ba2AlInO5
,
P6_3/mmc (194)
, and
Phonon
Resource Type:
Dataset
Data origin:
simulation
Author:
Atsushi Togo
Date Uploaded:
27/05/2023
Ab-initio phonon calculation for Cs3Sb2I9 / P6_3/mmc (194) / materials id 23029
Description/Abstract:
Ab-initio phonon calculation for Cs3Sb2I9 / P6_3/mmc (194) Phonon band structure, phonon DOS, thermal properties at constant volume, and ...
Keyword:
Cs3Sb2I9
,
P6_3/mmc (194)
, and
Phonon
Resource Type:
Dataset
Data origin:
simulation
Author:
Atsushi Togo
Date Uploaded:
27/05/2023
Ab-initio phonon calculation for NdI3 / P6_3/mmc (194) / materials id 864617
Description/Abstract:
Ab-initio phonon calculation for NdI3 / P6_3/mmc (194) Phonon band structure, phonon DOS, thermal properties at constant volume, and phon...
Keyword:
NdI3
,
P6_3/mmc (194)
, and
Phonon
Resource Type:
Dataset
Data origin:
simulation
Author:
Atsushi Togo
Date Uploaded:
27/05/2023
Ab-initio phonon calculation for Cs3Cr2Br9 / P6_3/mmc (194) / materials id 23451
Description/Abstract:
Ab-initio phonon calculation for Cs3Cr2Br9 / P6_3/mmc (194) Phonon band structure, phonon DOS, thermal properties at constant volume, and...
Keyword:
Cs3Cr2Br9
,
P6_3/mmc (194)
, and
Phonon
Resource Type:
Dataset
Data origin:
simulation
Author:
Atsushi Togo
Date Uploaded:
27/05/2023
Ab-initio phonon calculation for N2O5 / P6_3/mmc (194) / materials id 504769
Description/Abstract:
Ab-initio phonon calculation for N2O5 / P6_3/mmc (194) Phonon band structure, phonon DOS, thermal properties at constant volume, and phon...
Keyword:
N2O5
,
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 InSe / P6_3/mmc (194) / materials id 20485
Description/Abstract:
Ab-initio phonon calculation for InSe / P6_3/mmc (194) Phonon band structure, phonon DOS, thermal properties at constant volume, and phon...
Keyword:
InSe
,
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 SrH2 / P6_3/mmc (194) / materials id 23759
Description/Abstract:
Ab-initio phonon calculation for SrH2 / P6_3/mmc (194) Phonon band structure, phonon DOS, thermal properties at constant volume, and phon...
Keyword:
P6_3/mmc (194)
,
Phonon
, and
SrH2
Resource Type:
Dataset
Data origin:
simulation
Author:
Atsushi Togo
Date Uploaded:
26/05/2023
Ab-initio phonon calculation for K6Na3GaSb4 / P6_3/mmc (194) / materials id 6112
Description/Abstract:
Ab-initio phonon calculation for K6Na3GaSb4 / P6_3/mmc (194) Phonon band structure, phonon DOS, thermal properties at constant volume, an...
Keyword:
K6Na3GaSb4
,
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 Cs6K3AlSb4 / P6_3/mmc (194) / materials id 17120
Description/Abstract:
Ab-initio phonon calculation for Cs6K3AlSb4 / P6_3/mmc (194) Phonon band structure, phonon DOS, thermal properties at constant volume, an...
Keyword:
Cs6K3AlSb4
,
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 CsMnBr3 / P6_3/mmc (194) / materials id 23048
Description/Abstract:
Ab-initio phonon calculation for CsMnBr3 / P6_3/mmc (194) Phonon band structure, phonon DOS, thermal properties at constant volume, and p...
Keyword:
CsMnBr3
,
P6_3/mmc (194)
, and
Phonon
Resource Type:
Dataset
Data origin:
simulation
Author:
Atsushi Togo
Date Uploaded:
26/05/2023
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Dataset
176
Collection
MDR phonon calculation database
176
Keyword
P6_3/mmc (194)
[remove]
176
Phonon
176
BN
3
SiO2
3
NaAl11O17
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NIMS
176
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176
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176
Rights Statement Sim
Creative Commons BY Attribution 4.0 International
176
Data origin
simulation
[remove]
176
Author
Atsushi Togo
176
Funder
MEXT
176
Software
VASP
176
phonopy
176
spglib
176