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Ab-initio phonon calculation for BaBiBO4 / Pnma (62) / materials id 559186
Description/Abstract:
Ab-initio phonon calculation for BaBiBO4 / Pnma (62) Phonon band structure, phonon DOS, thermal properties at constant volume, and phonon...
Keyword:
BaBiBO4
,
Phonon
, and
Pnma (62)
Resource Type:
Dataset
Data origin:
simulation
Author:
Atsushi Togo
Date Uploaded:
26/05/2023
Ab-initio phonon calculation for Tl2SiF6 / Fm-3m (225) / materials id 5033
Description/Abstract:
Ab-initio phonon calculation for Tl2SiF6 / Fm-3m (225) Phonon band structure, phonon DOS, thermal properties at constant volume, and phon...
Keyword:
Fm-3m (225)
,
Phonon
, and
Tl2SiF6
Resource Type:
Dataset
Data origin:
simulation
Author:
Atsushi Togo
Date Uploaded:
26/05/2023
Ab-initio phonon calculation for PPdS / Pbcn (60) / materials id 7280
Description/Abstract:
Ab-initio phonon calculation for PPdS / Pbcn (60) Phonon band structure, phonon DOS, thermal properties at constant volume, and phonon ra...
Keyword:
PPdS
,
Pbcn (60)
, and
Phonon
Resource Type:
Dataset
Data origin:
simulation
Author:
Atsushi Togo
Date Uploaded:
26/05/2023
Ab-initio phonon calculation for ZnF2 / P4_2/mnm (136) / materials id 1873
Description/Abstract:
Ab-initio phonon calculation for ZnF2 / P4_2/mnm (136) Phonon band structure, phonon DOS, thermal properties at constant volume, and phon...
Keyword:
P4_2/mnm (136)
,
Phonon
, and
ZnF2
Resource Type:
Dataset
Data origin:
simulation
Author:
Atsushi Togo
Date Uploaded:
26/05/2023
Ab-initio phonon calculation for Al2SiO5 / Pnnm (58) / materials id 4753
Description/Abstract:
Ab-initio phonon calculation for Al2SiO5 / Pnnm (58) Phonon band structure, phonon DOS, thermal properties at constant volume, and phonon...
Keyword:
Al2SiO5
,
Phonon
, and
Pnnm (58)
Resource Type:
Dataset
Data origin:
simulation
Author:
Atsushi Togo
Date Uploaded:
26/05/2023
Ab-initio phonon calculation for NdP5O14 / Pmna (53) / materials id 560681
Description/Abstract:
Ab-initio phonon calculation for NdP5O14 / Pmna (53) Phonon band structure, phonon DOS, thermal properties at constant volume, and phonon...
Keyword:
NdP5O14
,
Phonon
, and
Pmna (53)
Resource Type:
Dataset
Data origin:
simulation
Author:
Atsushi Togo
Date Uploaded:
26/05/2023
Ab-initio phonon calculation for Ba3(GaS3)2 / C2/c (15) / materials id 29302
Description/Abstract:
Ab-initio phonon calculation for Ba3(GaS3)2 / C2/c (15) Phonon band structure, phonon DOS, thermal properties at constant volume, and pho...
Keyword:
Ba3(GaS3)2
,
C2/c (15)
, and
Phonon
Resource Type:
Dataset
Data origin:
simulation
Author:
Atsushi Togo
Date Uploaded:
26/05/2023
Ab-initio phonon calculation for Dy2TiO5 / Pnma (62) / materials id 771165
Description/Abstract:
Ab-initio phonon calculation for Dy2TiO5 / Pnma (62) Phonon band structure, phonon DOS, thermal properties at constant volume, and phonon...
Keyword:
Dy2TiO5
,
Phonon
, and
Pnma (62)
Resource Type:
Dataset
Data origin:
simulation
Author:
Atsushi Togo
Date Uploaded:
26/05/2023
Ab-initio phonon calculation for KHS / R3m (160) / materials id 38011
Description/Abstract:
Ab-initio phonon calculation for KHS / R3m (160) Phonon band structure, phonon DOS, thermal properties at constant volume, and phonon raw...
Keyword:
KHS
,
Phonon
, and
R3m (160)
Resource Type:
Dataset
Data origin:
simulation
Author:
Atsushi Togo
Date Uploaded:
26/05/2023
Ab-initio phonon calculation for Bi2Te4O11 / P2_1/c (14) / materials id 28990
Description/Abstract:
Ab-initio phonon calculation for Bi2Te4O11 / P2_1/c (14) Phonon band structure, phonon DOS, thermal properties at constant volume, and ph...
Keyword:
Bi2Te4O11
,
P2_1/c (14)
, and
Phonon
Resource Type:
Dataset
Data origin:
simulation
Author:
Atsushi Togo
Date Uploaded:
26/05/2023
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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)
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C2/m (12)
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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
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10,137
phonopy
10,137
spglib
10,137
phono3py
103