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5021.
Ab-initio phonon calculation for Nd5Te2Cl3O10 / C2/m (12) / materials id 560170
Description/Abstract:
Ab-initio phonon calculation for Nd5Te2Cl3O10 / C2/m (12) Phonon band structure, phonon DOS, thermal properties at constant volume, and p...
Keyword:
C2/m (12)
,
Nd5Te2Cl3O10
, and
Phonon
Resource Type:
Dataset
Data origin:
simulation
Author:
Atsushi Togo
Date Uploaded:
22/05/2023
5022.
Ab-initio phonon calculation for CsReF8 / P4/nmm (129) / materials id 29842
Description/Abstract:
Ab-initio phonon calculation for CsReF8 / P4/nmm (129) Phonon band structure, phonon DOS, thermal properties at constant volume, and phon...
Keyword:
CsReF8
,
P4/nmm (129)
, and
Phonon
Resource Type:
Dataset
Data origin:
simulation
Author:
Atsushi Togo
Date Uploaded:
22/05/2023
5023.
Ab-initio phonon calculation for Na5InO4 / Pbca (61) / materials id 14493
Description/Abstract:
Ab-initio phonon calculation for Na5InO4 / Pbca (61) Phonon band structure, phonon DOS, thermal properties at constant volume, and phonon...
Keyword:
Na5InO4
,
Pbca (61)
, and
Phonon
Resource Type:
Dataset
Data origin:
simulation
Author:
Atsushi Togo
Date Uploaded:
22/05/2023
5024.
Ab-initio phonon calculation for Na3Li3Al2F12 / Ia-3d (230) / materials id 6711
Description/Abstract:
Ab-initio phonon calculation for Na3Li3Al2F12 / Ia-3d (230) Phonon band structure, phonon DOS, thermal properties at constant volume, and...
Keyword:
Ia-3d (230)
,
Na3Li3Al2F12
, and
Phonon
Resource Type:
Dataset
Data origin:
simulation
Author:
Atsushi Togo
Date Uploaded:
22/05/2023
5025.
Ab-initio phonon calculation for Ag2PbO2 / C2/c (15) / materials id 20210
Description/Abstract:
Ab-initio phonon calculation for Ag2PbO2 / C2/c (15) Phonon band structure, phonon DOS, thermal properties at constant volume, and phonon...
Keyword:
Ag2PbO2
,
C2/c (15)
, and
Phonon
Resource Type:
Dataset
Data origin:
simulation
Author:
Atsushi Togo
Date Uploaded:
22/05/2023
5026.
Ab-initio phonon calculation for In2S3 / I4_1/amd (141) / materials id 22216
Description/Abstract:
Ab-initio phonon calculation for In2S3 / I4_1/amd (141) Phonon band structure, phonon DOS, thermal properties at constant volume, and pho...
Keyword:
I4_1/amd (141)
,
In2S3
, and
Phonon
Resource Type:
Dataset
Data origin:
simulation
Author:
Atsushi Togo
Date Uploaded:
22/05/2023
5027.
Ab-initio phonon calculation for Ba2B5ClO9 / Pnn2 (34) / materials id 555742
Description/Abstract:
Ab-initio phonon calculation for Ba2B5ClO9 / Pnn2 (34) Phonon band structure, phonon DOS, thermal properties at constant volume, and phon...
Keyword:
Ba2B5ClO9
,
Phonon
, and
Pnn2 (34)
Resource Type:
Dataset
Data origin:
simulation
Author:
Atsushi Togo
Date Uploaded:
22/05/2023
5028.
Ab-initio phonon calculation for Sm(HO)3 / P6_3/m (176) / materials id 625402
Description/Abstract:
Ab-initio phonon calculation for Sm(HO)3 / P6_3/m (176) Phonon band structure, phonon DOS, thermal properties at constant volume, and pho...
Keyword:
P6_3/m (176)
,
Phonon
, and
Sm(HO)3
Resource Type:
Dataset
Data origin:
simulation
Author:
Atsushi Togo
Date Uploaded:
22/05/2023
5029.
Ab-initio phonon calculation for Cs3InO3 / P2_1/c (14) / materials id 28381
Description/Abstract:
Ab-initio phonon calculation for Cs3InO3 / P2_1/c (14) Phonon band structure, phonon DOS, thermal properties at constant volume, and phon...
Keyword:
Cs3InO3
,
P2_1/c (14)
, and
Phonon
Resource Type:
Dataset
Data origin:
simulation
Author:
Atsushi Togo
Date Uploaded:
22/05/2023
5030.
Ab-initio phonon calculation for KZnP / P6_3/mmc (194) / materials id 7437
Description/Abstract:
Ab-initio phonon calculation for KZnP / P6_3/mmc (194) Phonon band structure, phonon DOS, thermal properties at constant volume, and phon...
Keyword:
KZnP
,
P6_3/mmc (194)
, and
Phonon
Resource Type:
Dataset
Data origin:
simulation
Author:
Atsushi Togo
Date Uploaded:
22/05/2023
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Type of work
Dataset
10,137
Collection
MDR phonon calculation database
10,034
Lattice thermal conductivity calculation datasets for 103 binary compounds by finite displacement method
103
Keyword
Phonon
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10,137
P2_1/c (14)
1,072
Pnma (62)
839
C2/c (15)
599
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NIMS
10,137
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10,137
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10,137
Rights Statement Sim
Creative Commons BY Attribution 4.0 International
10,137
Data origin
simulation
10,034
simulations
103
Author
Atsushi Togo
10,137
Funder
MEXT
10,034
Software
VASP
10,137
phonopy
10,137
spglib
10,137
phono3py
103