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Ab-initio phonon calculation for KMgF3 / Pm-3m (221) / materials id 3448
Description/Abstract:
Ab-initio phonon calculation for KMgF3 / Pm-3m (221) Phonon band structure, phonon DOS, thermal properties at constant volume, and phonon...
Keyword:
KMgF3
,
Phonon
, and
Pm-3m (221)
Resource Type:
Dataset
Data origin:
simulation
Author:
Atsushi Togo
Date Uploaded:
25/05/2023
Ab-initio phonon calculation for LaSb5O12 / R-3m (166) / materials id 31419
Description/Abstract:
Ab-initio phonon calculation for LaSb5O12 / R-3m (166) Phonon band structure, phonon DOS, thermal properties at constant volume, and phon...
Keyword:
LaSb5O12
,
Phonon
, and
R-3m (166)
Resource Type:
Dataset
Data origin:
simulation
Author:
Atsushi Togo
Date Uploaded:
25/05/2023
Ab-initio phonon calculation for NdAsO4 / I4_1/amd (141) / materials id 755357
Description/Abstract:
Ab-initio phonon calculation for NdAsO4 / I4_1/amd (141) Phonon band structure, phonon DOS, thermal properties at constant volume, and ph...
Keyword:
I4_1/amd (141)
,
NdAsO4
, and
Phonon
Resource Type:
Dataset
Data origin:
simulation
Author:
Atsushi Togo
Date Uploaded:
25/05/2023
Ab-initio phonon calculation for Ba17Er16Zn8Pt4O57 / I4/m (87) / materials id 561249
Description/Abstract:
Ab-initio phonon calculation for Ba17Er16Zn8Pt4O57 / I4/m (87) Phonon band structure, phonon DOS, thermal properties at constant volume, ...
Keyword:
Ba17Er16Zn8Pt4O57
,
I4/m (87)
, and
Phonon
Resource Type:
Dataset
Data origin:
simulation
Author:
Atsushi Togo
Date Uploaded:
25/05/2023
Ab-initio phonon calculation for Tb2Sn2O7 / Fd-3m (227) / materials id 4991
Description/Abstract:
Ab-initio phonon calculation for Tb2Sn2O7 / Fd-3m (227) Phonon band structure, phonon DOS, thermal properties at constant volume, and pho...
Keyword:
Fd-3m (227)
,
Phonon
, and
Tb2Sn2O7
Resource Type:
Dataset
Data origin:
simulation
Author:
Atsushi Togo
Date Uploaded:
25/05/2023
Ab-initio phonon calculation for NdInO3 / Pnma (62) / materials id 755138
Description/Abstract:
Ab-initio phonon calculation for NdInO3 / Pnma (62) Phonon band structure, phonon DOS, thermal properties at constant volume, and phonon ...
Keyword:
NdInO3
,
Phonon
, and
Pnma (62)
Resource Type:
Dataset
Data origin:
simulation
Author:
Atsushi Togo
Date Uploaded:
25/05/2023
Ab-initio phonon calculation for Sr4Al14O25 / Pmma (51) / materials id 5512
Description/Abstract:
Ab-initio phonon calculation for Sr4Al14O25 / Pmma (51) Phonon band structure, phonon DOS, thermal properties at constant volume, and pho...
Keyword:
Phonon
,
Pmma (51)
, and
Sr4Al14O25
Resource Type:
Dataset
Data origin:
simulation
Author:
Atsushi Togo
Date Uploaded:
25/05/2023
Ab-initio phonon calculation for BaZnSiO4 / P6_3 (173) / materials id 561305
Description/Abstract:
Ab-initio phonon calculation for BaZnSiO4 / P6_3 (173) Phonon band structure, phonon DOS, thermal properties at constant volume, and phon...
Keyword:
BaZnSiO4
,
P6_3 (173)
, and
Phonon
Resource Type:
Dataset
Data origin:
simulation
Author:
Atsushi Togo
Date Uploaded:
25/05/2023
Ab-initio phonon calculation for NaTmO2 / I4_1/amd (141) / materials id 754334
Description/Abstract:
Ab-initio phonon calculation for NaTmO2 / I4_1/amd (141) Phonon band structure, phonon DOS, thermal properties at constant volume, and ph...
Keyword:
I4_1/amd (141)
,
NaTmO2
, and
Phonon
Resource Type:
Dataset
Data origin:
simulation
Author:
Atsushi Togo
Date Uploaded:
25/05/2023
Ab-initio phonon calculation for CsB3O5 / P2_1 (4) / materials id 3977
Description/Abstract:
Ab-initio phonon calculation for CsB3O5 / P2_1 (4) Phonon band structure, phonon DOS, thermal properties at constant volume, and phonon r...
Keyword:
CsB3O5
,
P2_1 (4)
, 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
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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
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