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MDR lattice thermal conductivity calculation database(4811)
MDR phonon calculation database(6)
Lattice thermal conductivity calculation datasets for 103 binary compounds by finite displacement method (PBE)(1)
Lattice thermal conductivity calculation datasets for 103 binary compounds by finite displacement method(1)
Resource type
Dataset(4821)
Keyword
Lattice thermal conductivity (4811)
Phonon (8)
BiOF (7)
ZrO2 (6)
Al(HO)3 (5)
Al2O3 (5)
AlHO2 (5)
HfO2 (5)
Na2Si2O5 (5)
SiO2 (5)
(more)
License
Creative Commons BY Attribution 4.0 International (4821)
File type
application/x-xz (4821)
image/png (4817)
text/x-log (4811)
text/markdown (2)
text/plain (2)
image/svg+xml (1)
File type: application/x-xz
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4821 records found.
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First-principles lattice thermal conductivity calculation for K2NaInAs2 / Ibam (72) / materials id 21510
Dataset
Collection
MDR lattice thermal conductivity calculation database
Creator
Atsushi Togo
(author) (
Search by this author
)
https://orcid.org/0000-0001-8393-9766
Center for Basic Research on Materials, National Institute for Materials Science
NIMS Researchers Directory SAMURAI
Atsushi Togo
Keyword
Lattice thermal conductivity
,
K2NaInAs2
Date published
Updated at
2026-01-24 13:38:02 +0900
Phono3py input data to calculate lattice thermal conductvities for rocksalt-NaI
Dataset
Collection
Lattice thermal conductivity calculation datasets for 103 binary compounds by finite displacement method
Creator
Atsushi Togo
(author) (
Search by this author
)
https://orcid.org/0000-0001-8393-9766
Center for Basic Research on Materials, National Institute for Materials Science
NIMS Researchers Directory SAMURAI
Atsushi Togo
Keyword
Phonon
,
rocksalt-NaI
Date published
Updated at
2024-01-28 16:16:13 +0900
Phono3py input data to calculate lattice thermal conductivities for rocksalt-NaI (PBE)
Dataset
Collection
Lattice thermal conductivity calculation datasets for 103 binary compounds by finite displacement method (PBE)
Creator
Atsushi Togo
(author) (
Search by this author
)
https://orcid.org/0000-0001-8393-9766
Center for Basic Research on Materials, National Institute for Materials Science
NIMS Researchers Directory SAMURAI
Atsushi Togo
Keyword
Phonon
,
rocksalt-NaI
Date published
Updated at
2025-10-27 16:31:36 +0900
First-principles lattice thermal conductivity calculation for NaInI4 / P2_1/c (14) / materials id 28570
Dataset
Collection
MDR lattice thermal conductivity calculation database
Creator
Atsushi Togo
(author) (
Search by this author
)
https://orcid.org/0000-0001-8393-9766
Center for Basic Research on Materials, National Institute for Materials Science
NIMS Researchers Directory SAMURAI
Atsushi Togo
Keyword
Lattice thermal conductivity
,
NaInI4
Date published
Updated at
2026-01-24 15:29:43 +0900
First-principles lattice thermal conductivity calculation for NaIO4 / I4_1/a (88) / materials id 27401
Dataset
Collection
MDR lattice thermal conductivity calculation database
Creator
Atsushi Togo
(author) (
Search by this author
)
https://orcid.org/0000-0001-8393-9766
Center for Basic Research on Materials, National Institute for Materials Science
NIMS Researchers Directory SAMURAI
Atsushi Togo
Keyword
Lattice thermal conductivity
,
NaIO4
Date published
Updated at
2026-01-24 15:27:25 +0900
First-principles lattice thermal conductivity calculation for NaInS2 / R-3m (166) / materials id 20289
Dataset
Collection
MDR lattice thermal conductivity calculation database
Creator
Atsushi Togo
(author) (
Search by this author
)
https://orcid.org/0000-0001-8393-9766
Center for Basic Research on Materials, National Institute for Materials Science
NIMS Researchers Directory SAMURAI
Atsushi Togo
Keyword
Lattice thermal conductivity
,
NaInS2
Date published
Updated at
2026-01-24 15:11:20 +0900
First-principles lattice thermal conductivity calculation for NaInP2O7 / P2_1/c (14) / materials id 6290
Dataset
Collection
MDR lattice thermal conductivity calculation database
Creator
Atsushi Togo
(author) (
Search by this author
)
https://orcid.org/0000-0001-8393-9766
Center for Basic Research on Materials, National Institute for Materials Science
NIMS Researchers Directory SAMURAI
Atsushi Togo
Keyword
Lattice thermal conductivity
,
NaInP2O7
Date published
Updated at
2026-01-24 15:10:30 +0900
First-principles lattice thermal conductivity calculation for K2NaInP2 / Ibam (72) / materials id 21511
Dataset
Collection
MDR lattice thermal conductivity calculation database
Creator
Atsushi Togo
(author) (
Search by this author
)
https://orcid.org/0000-0001-8393-9766
Center for Basic Research on Materials, National Institute for Materials Science
NIMS Researchers Directory SAMURAI
Atsushi Togo
Keyword
Lattice thermal conductivity
,
K2NaInP2
Date published
Updated at
2026-01-24 14:58:54 +0900
First-principles lattice thermal conductivity calculation for NaI / Fm-3m (225) / materials id 23268
Dataset
Collection
MDR lattice thermal conductivity calculation database
Creator
Atsushi Togo
(author) (
Search by this author
)
https://orcid.org/0000-0001-8393-9766
Center for Basic Research on Materials, National Institute for Materials Science
NIMS Researchers Directory SAMURAI
Atsushi Togo
Keyword
Lattice thermal conductivity
,
NaI
Date published
Updated at
2026-01-24 14:57:11 +0900
First-principles lattice thermal conductivity calculation for NaInO2 / R-3m (166) / materials id 5175
Dataset
Collection
MDR lattice thermal conductivity calculation database
Creator
Atsushi Togo
(author) (
Search by this author
)
https://orcid.org/0000-0001-8393-9766
Center for Basic Research on Materials, National Institute for Materials Science
NIMS Researchers Directory SAMURAI
Atsushi Togo
Keyword
Lattice thermal conductivity
,
NaInO2
Date published
Updated at
2026-01-24 14:14:00 +0900
Keyword
Lattice thermal conductivity
(4811)
Phonon
(8)
BiOF
(7)
ZrO2
(6)
Al(HO)3
(5)
Al2O3
(5)
AlHO2
(5)
HfO2
(5)
Na2Si2O5
(5)
SiO2
(5)
TiO2
(5)
AgI
(4)
Ba(HO)2
(4)
Cd(InSe2)2
(4)
CdI2
(4)
Ho2S3
(4)
MgH2
(4)
MgSiO3
(4)
Na3CuO2
(4)
Rb2O
(4)
Y2Si2O7
(4)
Ba2Sc2O5
(3)
Ba2SrI6
(3)
BaCl2
(3)
BaLa2O4
(3)
Ca3(AlN2)2
(3)
Ca3N2
(3)
Ca4Ta2O9
(3)
CdP2
(3)
CuI
(3)
Dy2S3
(3)
K2LiAlF6
(3)
K2O
(3)
K2PbO3
(3)
KHO
(3)
KSbO3
(3)
La2O3
(3)
Li3CuS2
(3)
LiAgF4
(3)
LiBeH3
(3)
LiI
(3)
LiSbO3
(3)
LiYF4
(3)
Lu2GeO5
(3)
MgAl2O4
(3)
MgGeO3
(3)
Na2SnO3
(3)
Na2UO4
(3)
NaLaO2
(3)
NaLiCO3
(3)
NaLuO2
(3)
NaTmO2
(3)
NdTaO4
(3)
PbI2
(3)
Rb2GeF6
(3)
Rh2O3
(3)
ScHO2
(3)
SmAsO4
(3)
SmTaO4
(3)
SnO2
(3)
Sr2CaI6
(3)
SrCa2I6
(3)
SrLu2O4
(3)
SrSc2O4
(3)
Tm2GeO5
(3)
Tm2S3
(3)
Y2HfO5
(3)
ZnP2
(3)
ZnS
(3)
Zr3N4
(3)
Ac2S3
(2)
AgBr
(2)
AgCl
(2)
Al2CdSe4
(2)
Al2SiO5
(2)
Al5C3N
(2)
AlAs
(2)
AlBPbO4
(2)
AlCuO2
(2)
AlF3
(2)
AlN
(2)
AlP
(2)
Ar
(2)
Ba(AlTe2)2
(2)
Ba(H2O3)2
(2)
Ba2GeO4
(2)
Ba2LaCl7
(2)
Ba2Si3O8
(2)
Ba2Ti6N2O11
(2)
Ba3(SnP2)2
(2)
Ba4Sn3O10
(2)
BaBe2Si2O7
(2)
BaCO3
(2)
BaCa2I6
(2)
BaF2
(2)
BaI2
(2)
BaLiP
(2)
BaLu2O4
(2)
BaTm2O4
(2)
BaYF5
(2)
BaZnCl4
(2)
BaZrF6
(2)
Be3N2
(2)
BeO
(2)
Bi3BrO4
(2)
BiAsO4
(2)
Ca(BO2)2
(2)
Ca(GaO2)2
(2)
Ca2SiO4
(2)
Ca2SnS4
(2)
Ca3Ta2O8
(2)
CaAl2O4
(2)
CaAlF5
(2)
CaC2
(2)
CaCl2
(2)
CaPbI4
(2)
CaSO4
(2)
CaSeO3
(2)
CaSnO3
(2)
CaTiO3
(2)
Cd(HO)2
(2)
Cd2P3Cl
(2)
CdBr2
(2)
CdGe(BiO3)2
(2)
CdGeO3
(2)
CdS
(2)
CdSe
(2)
CdSeO4
(2)
CdSnO3
(2)
CdTe
(2)
CoAsS
(2)
Cs2MgH4
(2)
Cs2PtF6
(2)
CsAlF4
(2)
CsBr
(2)
CsCl
(2)
CsDyS2
(2)
CsMgH3
(2)
CsPrS2
(2)
CsSn
(2)
Cu3SbS3
(2)
CuBr
(2)
CuCl
(2)
Dy2O3
(2)
Dy2SO2
(2)
Dy2SiO5
(2)
DyGaO3
(2)
DyHO2
(2)
DyTaO4
(2)
Er2S3
(2)
Er2Si2O7
(2)
Er2SiO5
(2)
Er2TeO2
(2)
ErNbO4
(2)
ErTaO4
(2)
FeP4
(2)
FeS2
(2)
Ga2O3
(2)
GaCuO2
(2)
GaHO2
(2)
GaN
(2)
GaP
(2)
GaSe
(2)
GaTe
(2)
GeO2
(2)
H4BrN
(2)
Heusler alloys
(2)
Hf2P2O9
(2)
Hf3N2O3
(2)
Hf3N4
(2)
HfZrO4
(2)
Hg3(ClO)2
(2)
HgS
(2)
HgSeO3
(2)
Ho2SO2
(2)
HoBO3
(2)
HoGaO3
(2)
HoHO2
(2)
HoTaO4
(2)
In2O3
(2)
In3SnI5
(2)
InP
(2)
InPO4
(2)
InS
(2)
K2GeF6
(2)
K2LiAlH6
(2)
K2Mg2O3
(2)
K2P3
(2)
K2SiF6
(2)
K2ThF6
(2)
KAlH4
(2)
KAuCl4
(2)
KCaF3
(2)
KNa(BH4)2
(2)
KNdO2
(2)
KY(PO3)4
(2)
La(BO2)3
(2)
La2HfO5
(2)
La2S3
(2)
La2Se2O
(2)
RDE metadata def
RDE invoice schema
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Filter
Collection
MDR lattice thermal conductivity calculation database(4811)
MDR phonon calculation database(6)
Lattice thermal conductivity calculation datasets for 103 binary compounds by finite displacement method (PBE)(1)
Lattice thermal conductivity calculation datasets for 103 binary compounds by finite displacement method(1)
Resource type
Dataset(4821)
Keyword
Lattice thermal conductivity (4811)
Phonon (8)
BiOF (7)
ZrO2 (6)
Al(HO)3 (5)
Al2O3 (5)
AlHO2 (5)
HfO2 (5)
Na2Si2O5 (5)
SiO2 (5)
(more)
License
Creative Commons BY Attribution 4.0 International (4821)
File type
application/x-xz (4821)
image/png (4817)
text/x-log (4811)
text/markdown (2)
text/plain (2)
image/svg+xml (1)