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Ab-initio phonon calculation for FeAsS / P2_1/c (14) / materials id 561511
Description/Abstract:
Ab-initio phonon calculation for FeAsS / P2_1/c (14) Phonon band structure, phonon DOS, thermal properties at constant volume, and phonon...
Keyword:
FeAsS
,
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 Na4UC3O11 / P-3c1 (165) / materials id 6046
Description/Abstract:
Ab-initio phonon calculation for Na4UC3O11 / P-3c1 (165) Phonon band structure, phonon DOS, thermal properties at constant volume, and ph...
Keyword:
Na4UC3O11
,
P-3c1 (165)
, and
Phonon
Resource Type:
Dataset
Data origin:
simulation
Author:
Atsushi Togo
Date Uploaded:
25/05/2023
Ab-initio phonon calculation for SrHClO / P6_3mc (186) / materials id 24066
Description/Abstract:
Ab-initio phonon calculation for SrHClO / P6_3mc (186) Phonon band structure, phonon DOS, thermal properties at constant volume, and phon...
Keyword:
P6_3mc (186)
,
Phonon
, and
SrHClO
Resource Type:
Dataset
Data origin:
simulation
Author:
Atsushi Togo
Date Uploaded:
25/05/2023
Ab-initio phonon calculation for Li2HfO3 / C2/m (12) / materials id 756597
Description/Abstract:
Ab-initio phonon calculation for Li2HfO3 / C2/m (12) Phonon band structure, phonon DOS, thermal properties at constant volume, and phonon...
Keyword:
C2/m (12)
,
Li2HfO3
, and
Phonon
Resource Type:
Dataset
Data origin:
simulation
Author:
Atsushi Togo
Date Uploaded:
25/05/2023
Ab-initio phonon calculation for Al2Ge2O7 / C2/c (15) / materials id 9751
Description/Abstract:
Ab-initio phonon calculation for Al2Ge2O7 / C2/c (15) Phonon band structure, phonon DOS, thermal properties at constant volume, and phono...
Keyword:
Al2Ge2O7
,
C2/c (15)
, and
Phonon
Resource Type:
Dataset
Data origin:
simulation
Author:
Atsushi Togo
Date Uploaded:
25/05/2023
Ab-initio phonon calculation for Rb2SbAuS4 / Pbcm (57) / materials id 556894
Description/Abstract:
Ab-initio phonon calculation for Rb2SbAuS4 / Pbcm (57) Phonon band structure, phonon DOS, thermal properties at constant volume, and phon...
Keyword:
Pbcm (57)
,
Phonon
, and
Rb2SbAuS4
Resource Type:
Dataset
Data origin:
simulation
Author:
Atsushi Togo
Date Uploaded:
25/05/2023
Ab-initio phonon calculation for AlF3 / Pm-3m (221) / materials id 8039
Description/Abstract:
Ab-initio phonon calculation for AlF3 / Pm-3m (221) Phonon band structure, phonon DOS, thermal properties at constant volume, and phonon ...
Keyword:
AlF3
,
Phonon
, and
Pm-3m (221)
Resource Type:
Dataset
Data origin:
simulation
Author:
Atsushi Togo
Date Uploaded:
25/05/2023
Ab-initio phonon calculation for KSm2Cl5 / P2_1/c (14) / materials id 568044
Description/Abstract:
Ab-initio phonon calculation for KSm2Cl5 / P2_1/c (14) Phonon band structure, phonon DOS, thermal properties at constant volume, and phon...
Keyword:
KSm2Cl5
,
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 Ag8GeS6 / Pna2_1 (33) / materials id 9770
Description/Abstract:
Ab-initio phonon calculation for Ag8GeS6 / Pna2_1 (33) Phonon band structure, phonon DOS, thermal properties at constant volume, and phon...
Keyword:
Ag8GeS6
,
Phonon
, and
Pna2_1 (33)
Resource Type:
Dataset
Data origin:
simulation
Author:
Atsushi Togo
Date Uploaded:
25/05/2023
Ab-initio phonon calculation for Rb2P3 / Fmmm (69) / materials id 2079
Description/Abstract:
Ab-initio phonon calculation for Rb2P3 / Fmmm (69) Phonon band structure, phonon DOS, thermal properties at constant volume, and phonon r...
Keyword:
Fmmm (69)
,
Phonon
, and
Rb2P3
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
10,137
P2_1/c (14)
1,072
Pnma (62)
839
C2/c (15)
599
C2/m (12)
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NIMS
10,137
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Dataset
10,137
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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
[remove]
10,137
spglib
10,137
phono3py
103