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Ab-initio phonon calculation for Sm2Ge2O7 / C2/m (12) / materials id 754621
Description/Abstract:
Ab-initio phonon calculation for Sm2Ge2O7 / C2/m (12) Phonon band structure, phonon DOS, thermal properties at constant volume, and phono...
Keyword:
C2/m (12)
,
Phonon
, and
Sm2Ge2O7
Resource Type:
Dataset
Data origin:
simulation
Author:
Atsushi Togo
Date Uploaded:
25/05/2023
Ab-initio phonon calculation for KGeAuS3 / P2_1/c (14) / materials id 554859
Description/Abstract:
Ab-initio phonon calculation for KGeAuS3 / P2_1/c (14) Phonon band structure, phonon DOS, thermal properties at constant volume, and phon...
Keyword:
KGeAuS3
,
P2_1/c (14)
, and
Phonon
Resource Type:
Dataset
Data origin:
simulation
Author:
Atsushi Togo
Date Uploaded:
25/05/2023
Ab-initio phonon calculation for AgBr / Fm-3m (225) / materials id 23231
Description/Abstract:
Ab-initio phonon calculation for AgBr / Fm-3m (225) Phonon band structure, phonon DOS, thermal properties at constant volume, and phonon ...
Keyword:
AgBr
,
Fm-3m (225)
, and
Phonon
Resource Type:
Dataset
Data origin:
simulation
Author:
Atsushi Togo
Date Uploaded:
25/05/2023
Ab-initio phonon calculation for ZnPb2F6 / P4_2/ncm (138) / materials id 20006
Description/Abstract:
Ab-initio phonon calculation for ZnPb2F6 / P4_2/ncm (138) Phonon band structure, phonon DOS, thermal properties at constant volume, and p...
Keyword:
P4_2/ncm (138)
,
Phonon
, and
ZnPb2F6
Resource Type:
Dataset
Data origin:
simulation
Author:
Atsushi Togo
Date Uploaded:
25/05/2023
Ab-initio phonon calculation for NaY(SiO3)2 / P2_1/c (14) / materials id 560039
Description/Abstract:
Ab-initio phonon calculation for NaY(SiO3)2 / P2_1/c (14) Phonon band structure, phonon DOS, thermal properties at constant volume, and p...
Keyword:
NaY(SiO3)2
,
P2_1/c (14)
, and
Phonon
Resource Type:
Dataset
Data origin:
simulation
Author:
Atsushi Togo
Date Uploaded:
25/05/2023
Ab-initio phonon calculation for K2SbAu / Cmcm (63) / materials id 867335
Description/Abstract:
Ab-initio phonon calculation for K2SbAu / Cmcm (63) Phonon band structure, phonon DOS, thermal properties at constant volume, and phonon ...
Keyword:
Cmcm (63)
,
K2SbAu
, and
Phonon
Resource Type:
Dataset
Data origin:
simulation
Author:
Atsushi Togo
Date Uploaded:
25/05/2023
Ab-initio phonon calculation for GaCuO2 / P6_3/mmc (194) / materials id 11019
Description/Abstract:
Ab-initio phonon calculation for GaCuO2 / P6_3/mmc (194) Phonon band structure, phonon DOS, thermal properties at constant volume, and ph...
Keyword:
GaCuO2
,
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 Te3As2 / C2/m (12) / materials id 484
Description/Abstract:
Ab-initio phonon calculation for Te3As2 / C2/m (12) Phonon band structure, phonon DOS, thermal properties at constant volume, and phonon ...
Keyword:
C2/m (12)
,
Phonon
, and
Te3As2
Resource Type:
Dataset
Data origin:
simulation
Author:
Atsushi Togo
Date Uploaded:
25/05/2023
Ab-initio phonon calculation for Sr4Ti3O10 / I4/mmm (139) / materials id 31213
Description/Abstract:
Ab-initio phonon calculation for Sr4Ti3O10 / I4/mmm (139) Phonon band structure, phonon DOS, thermal properties at constant volume, and p...
Keyword:
I4/mmm (139)
,
Phonon
, and
Sr4Ti3O10
Resource Type:
Dataset
Data origin:
simulation
Author:
Atsushi Togo
Date Uploaded:
25/05/2023
Ab-initio phonon calculation for MgH2 / Pbcn (60) / materials id 569051
Description/Abstract:
Ab-initio phonon calculation for MgH2 / Pbcn (60) Phonon band structure, phonon DOS, thermal properties at constant volume, and phonon ra...
Keyword:
MgH2
,
Pbcn (60)
, and
Phonon
Resource Type:
Dataset
Data origin:
simulation
Author:
Atsushi Togo
Date Uploaded:
25/05/2023
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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
[remove]
10,137
P2_1/c (14)
1,072
Pnma (62)
839
C2/c (15)
599
C2/m (12)
368
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Publisher
NIMS
10,137
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Dataset
10,137
Visibility
open
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