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Ab-initio phonon calculation for CaTiO3 / I4/mcm (140) / materials id 3442
Description/Abstract:
Ab-initio phonon calculation for CaTiO3 / I4/mcm (140) Phonon band structure, phonon DOS, thermal properties at constant volume, and phon...
Keyword:
CaTiO3
,
I4/mcm (140)
, and
Phonon
Resource Type:
Dataset
Data origin:
simulation
Author:
Atsushi Togo
Date Uploaded:
15/05/2023
Ab-initio phonon calculation for RbErSeCl2O3 / P2_1/c (14) / materials id 557019
Description/Abstract:
Ab-initio phonon calculation for RbErSeCl2O3 / P2_1/c (14) Phonon band structure, phonon DOS, thermal properties at constant volume, and ...
Keyword:
P2_1/c (14)
,
Phonon
, and
RbErSeCl2O3
Resource Type:
Dataset
Data origin:
simulation
Author:
Atsushi Togo
Date Uploaded:
15/05/2023
Ab-initio phonon calculation for AlBPbO4 / Pbcn (60) / materials id 558137
Description/Abstract:
Ab-initio phonon calculation for AlBPbO4 / Pbcn (60) Phonon band structure, phonon DOS, thermal properties at constant volume, and phonon...
Keyword:
AlBPbO4
,
Pbcn (60)
, and
Phonon
Resource Type:
Dataset
Data origin:
simulation
Author:
Atsushi Togo
Date Uploaded:
15/05/2023
Ab-initio phonon calculation for NaBi(PO3)4 / P2_1/c (14) / materials id 23621
Description/Abstract:
Ab-initio phonon calculation for NaBi(PO3)4 / P2_1/c (14) Phonon band structure, phonon DOS, thermal properties at constant volume, and p...
Keyword:
NaBi(PO3)4
,
P2_1/c (14)
, and
Phonon
Resource Type:
Dataset
Data origin:
simulation
Author:
Atsushi Togo
Date Uploaded:
15/05/2023
Ab-initio phonon calculation for BaPSe3 / P2_1/c (14) / materials id 11008
Description/Abstract:
Ab-initio phonon calculation for BaPSe3 / P2_1/c (14) Phonon band structure, phonon DOS, thermal properties at constant volume, and phono...
Keyword:
BaPSe3
,
P2_1/c (14)
, and
Phonon
Resource Type:
Dataset
Data origin:
simulation
Author:
Atsushi Togo
Date Uploaded:
15/05/2023
Ab-initio phonon calculation for Er2GeO5 / P2_1/c (14) / materials id 773910
Description/Abstract:
Ab-initio phonon calculation for Er2GeO5 / P2_1/c (14) Phonon band structure, phonon DOS, thermal properties at constant volume, and phon...
Keyword:
Er2GeO5
,
P2_1/c (14)
, and
Phonon
Resource Type:
Dataset
Data origin:
simulation
Author:
Atsushi Togo
Date Uploaded:
15/05/2023
Ab-initio phonon calculation for K3Nd(AsS4)2 / C2/c (15) / materials id 559059
Description/Abstract:
Ab-initio phonon calculation for K3Nd(AsS4)2 / C2/c (15) Phonon band structure, phonon DOS, thermal properties at constant volume, and ph...
Keyword:
C2/c (15)
,
K3Nd(AsS4)2
, and
Phonon
Resource Type:
Dataset
Data origin:
simulation
Author:
Atsushi Togo
Date Uploaded:
15/05/2023
Ab-initio phonon calculation for Ho2SiSeO4 / Pbcm (57) / materials id 18584
Description/Abstract:
Ab-initio phonon calculation for Ho2SiSeO4 / Pbcm (57) Phonon band structure, phonon DOS, thermal properties at constant volume, and phon...
Keyword:
Ho2SiSeO4
,
Pbcm (57)
, and
Phonon
Resource Type:
Dataset
Data origin:
simulation
Author:
Atsushi Togo
Date Uploaded:
15/05/2023
Ab-initio phonon calculation for K6Si2O7 / P2_1/c (14) / materials id 30990
Description/Abstract:
Ab-initio phonon calculation for K6Si2O7 / P2_1/c (14) Phonon band structure, phonon DOS, thermal properties at constant volume, and phon...
Keyword:
K6Si2O7
,
P2_1/c (14)
, and
Phonon
Resource Type:
Dataset
Data origin:
simulation
Author:
Atsushi Togo
Date Uploaded:
15/05/2023
Ab-initio phonon calculation for RbNb4Cl11 / Pmma (51) / materials id 30107
Description/Abstract:
Ab-initio phonon calculation for RbNb4Cl11 / Pmma (51) Phonon band structure, phonon DOS, thermal properties at constant volume, and phon...
Keyword:
Phonon
,
Pmma (51)
, and
RbNb4Cl11
Resource Type:
Dataset
Data origin:
simulation
Author:
Atsushi Togo
Date Uploaded:
15/05/2023
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Type of work
Dataset
10,137
Publication
3
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)
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C2/c (15)
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10,137
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10,137
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10,140
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Creative Commons BY Attribution 4.0 International
10,140
Data origin
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10,034
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Author
Atsushi Togo
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10,140
Isao Tanaka
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Terumasa Tadano
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Hiroyuki Hayashi
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MEXT
10,034
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VASP
10,137
phonopy
10,137
spglib
10,137
phono3py
103
Journal
JOURNAL OF PHYSICS-CONDENSED MATTER
1