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Ab-initio phonon calculation for NaGe / P2_1/c (14) / materials id 29657
Description/Abstract:
Ab-initio phonon calculation for NaGe / P2_1/c (14) Phonon band structure, phonon DOS, thermal properties at constant volume, and phonon ...
Keyword:
NaGe
,
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 H4IN / Imm2 (44) / materials id 34381
Description/Abstract:
Ab-initio phonon calculation for H4IN / Imm2 (44) Phonon band structure, phonon DOS, thermal properties at constant volume, and phonon ra...
Keyword:
H4IN
,
Imm2 (44)
, and
Phonon
Resource Type:
Dataset
Data origin:
simulation
Author:
Atsushi Togo
Date Uploaded:
25/05/2023
Ab-initio phonon calculation for Li5GaO4 / Pbca (61) / materials id 4657
Description/Abstract:
Ab-initio phonon calculation for Li5GaO4 / Pbca (61) Phonon band structure, phonon DOS, thermal properties at constant volume, and phonon...
Keyword:
Li5GaO4
,
Pbca (61)
, and
Phonon
Resource Type:
Dataset
Data origin:
simulation
Author:
Atsushi Togo
Date Uploaded:
25/05/2023
Ab-initio phonon calculation for Ba5Er2ZrAl2O13 / P6_3/mmc (194) / materials id 558566
Description/Abstract:
Ab-initio phonon calculation for Ba5Er2ZrAl2O13 / P6_3/mmc (194) Phonon band structure, phonon DOS, thermal properties at constant volume...
Keyword:
Ba5Er2ZrAl2O13
,
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 Sr3Ta6(Si2O13)2 / P-62m (189) / materials id 17103
Description/Abstract:
Ab-initio phonon calculation for Sr3Ta6(Si2O13)2 / P-62m (189) Phonon band structure, phonon DOS, thermal properties at constant volume, ...
Keyword:
P-62m (189)
,
Phonon
, and
Sr3Ta6(Si2O13)2
Resource Type:
Dataset
Data origin:
simulation
Author:
Atsushi Togo
Date Uploaded:
25/05/2023
Ab-initio phonon calculation for RbEr2Cu3S5 / Cmcm (63) / materials id 17344
Description/Abstract:
Ab-initio phonon calculation for RbEr2Cu3S5 / Cmcm (63) Phonon band structure, phonon DOS, thermal properties at constant volume, and pho...
Keyword:
Cmcm (63)
,
Phonon
, and
RbEr2Cu3S5
Resource Type:
Dataset
Data origin:
simulation
Author:
Atsushi Togo
Date Uploaded:
25/05/2023
Ab-initio phonon calculation for K2NaRhF6 / Fm-3m (225) / materials id 14039
Description/Abstract:
Ab-initio phonon calculation for K2NaRhF6 / Fm-3m (225) Phonon band structure, phonon DOS, thermal properties at constant volume, and pho...
Keyword:
Fm-3m (225)
,
K2NaRhF6
, and
Phonon
Resource Type:
Dataset
Data origin:
simulation
Author:
Atsushi Togo
Date Uploaded:
25/05/2023
Ab-initio phonon calculation for KPHNO2 / R-3 (148) / materials id 23942
Description/Abstract:
Ab-initio phonon calculation for KPHNO2 / R-3 (148) Phonon band structure, phonon DOS, thermal properties at constant volume, and phonon ...
Keyword:
KPHNO2
,
Phonon
, and
R-3 (148)
Resource Type:
Dataset
Data origin:
simulation
Author:
Atsushi Togo
Date Uploaded:
25/05/2023
Ab-initio phonon calculation for PrClO / P4/nmm (129) / materials id 27984
Description/Abstract:
Ab-initio phonon calculation for PrClO / P4/nmm (129) Phonon band structure, phonon DOS, thermal properties at constant volume, and phono...
Keyword:
P4/nmm (129)
,
Phonon
, and
PrClO
Resource Type:
Dataset
Data origin:
simulation
Author:
Atsushi Togo
Date Uploaded:
25/05/2023
Ab-initio phonon calculation for PrBrO / P4/nmm (129) / materials id 975666
Description/Abstract:
Ab-initio phonon calculation for PrBrO / P4/nmm (129) Phonon band structure, phonon DOS, thermal properties at constant volume, and phono...
Keyword:
P4/nmm (129)
,
Phonon
, and
PrBrO
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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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