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Collection
MDR phonon calculation database(245)
Lattice thermal conductivity calculation datasets for 103 binary compounds by finite displacement method (PBE)(103)
Lattice thermal conductivity calculation datasets for 103 binary compounds by finite displacement method(103)
Resource type
Dataset(451)
Keyword
Phonon (451)
Ia-3d (230) (43)
C2/c (15) (29)
P31c (159) (15)
Pnma (62) (14)
Fddd (70) (13)
Cmce (64) (10)
I4_1/acd (142) (7)
MgAl2O4 (7)
C2/m (12) (6)
(more)
License
Creative Commons BY Attribution 4.0 International (451)
File type
application/x-xz (451)
image/png (245)
Keyword: Phonon
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451 records found.
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Ab-initio phonon calculation for CsInS2 / C2/c (15) / materials id 559459
Dataset
Collection
MDR phonon calculation database
Creator
Atsushi Togo
(author) (
Search by this author
)
https://orcid.org/0000-0001-8393-9766
MaDIS, National Institute for Materials Science
NIMS Researchers Directory SAMURAI
Atsushi Togo
Keyword
Phonon
,
CsInS2
,
C2/c (15)
Date published
Updated at
2023-05-14 18:33:21 +0900
Ab-initio phonon calculation for K3Nd(AsS4)2 / C2/c (15) / materials id 559059
Dataset
Collection
MDR phonon calculation database
Creator
Atsushi Togo
(author) (
Search by this author
)
https://orcid.org/0000-0001-8393-9766
MaDIS, National Institute for Materials Science
NIMS Researchers Directory SAMURAI
Atsushi Togo
Keyword
Phonon
,
K3Nd(AsS4)2
,
C2/c (15)
Date published
Updated at
2023-05-14 18:58:11 +0900
Ab-initio phonon calculation for CdI2 / P3m1 (156) / materials id 571595
Dataset
Collection
MDR phonon calculation database
Creator
Atsushi Togo
(author) (
Search by this author
)
https://orcid.org/0000-0001-8393-9766
MaDIS, National Institute for Materials Science
NIMS Researchers Directory SAMURAI
Atsushi Togo
Keyword
Phonon
,
CdI2
,
P3m1 (156)
Date published
Updated at
2023-05-14 18:57:49 +0900
Ab-initio phonon calculation for CdI2 / P3m1 (156) / materials id 571592
Dataset
Collection
MDR phonon calculation database
Creator
Atsushi Togo
(author) (
Search by this author
)
https://orcid.org/0000-0001-8393-9766
MaDIS, National Institute for Materials Science
NIMS Researchers Directory SAMURAI
Atsushi Togo
Keyword
Phonon
,
CdI2
,
P3m1 (156)
Date published
Updated at
2023-05-14 18:57:48 +0900
Ab-initio phonon calculation for CdI2 / P3m1 (156) / materials id 571559
Dataset
Collection
MDR phonon calculation database
Creator
Atsushi Togo
(author) (
Search by this author
)
https://orcid.org/0000-0001-8393-9766
MaDIS, National Institute for Materials Science
NIMS Researchers Directory SAMURAI
Atsushi Togo
Keyword
Phonon
,
CdI2
,
P3m1 (156)
Date published
Updated at
2023-05-14 18:57:42 +0900
Ab-initio phonon calculation for Ti4Bi2O11 / C2/c (15) / materials id 559154
Dataset
Collection
MDR phonon calculation database
Creator
Atsushi Togo
(author) (
Search by this author
)
https://orcid.org/0000-0001-8393-9766
MaDIS, National Institute for Materials Science
NIMS Researchers Directory SAMURAI
Atsushi Togo
Keyword
Phonon
,
Ti4Bi2O11
,
C2/c (15)
Date published
Updated at
2023-05-14 18:58:22 +0900
Ab-initio phonon calculation for BeF2 / P3_121 (152) / materials id 15951
Dataset
Collection
MDR phonon calculation database
Creator
Atsushi Togo
(author) (
Search by this author
)
https://orcid.org/0000-0001-8393-9766
MaDIS, National Institute for Materials Science
NIMS Researchers Directory SAMURAI
Atsushi Togo
Keyword
Phonon
,
BeF2
,
P3_121 (152)
Date published
Updated at
2023-05-14 18:41:32 +0900
Ab-initio phonon calculation for SrAl2B2O7 / R32 (155) / materials id 15939
Dataset
Collection
MDR phonon calculation database
Creator
Atsushi Togo
(author) (
Search by this author
)
https://orcid.org/0000-0001-8393-9766
MaDIS, National Institute for Materials Science
NIMS Researchers Directory SAMURAI
Atsushi Togo
Keyword
Phonon
,
SrAl2B2O7
,
R32 (155)
Date published
Updated at
2023-05-14 18:41:30 +0900
Ab-initio phonon calculation for Re3(SeBr)7 / P31c (159) / materials id 680015
Dataset
Collection
MDR phonon calculation database
Creator
Atsushi Togo
(author) (
Search by this author
)
https://orcid.org/0000-0001-8393-9766
MaDIS, National Institute for Materials Science
NIMS Researchers Directory SAMURAI
Atsushi Togo
Keyword
Phonon
,
Re3(SeBr)7
,
P31c (159)
Date published
Updated at
2023-05-14 18:58:07 +0900
Ab-initio phonon calculation for Ba2NaNb5O15 / P4bm (100) / materials id 15983
Dataset
Collection
MDR phonon calculation database
Creator
Atsushi Togo
(author) (
Search by this author
)
https://orcid.org/0000-0001-8393-9766
MaDIS, National Institute for Materials Science
NIMS Researchers Directory SAMURAI
Atsushi Togo
Keyword
Phonon
,
Ba2NaNb5O15
,
P4bm (100)
Date published
Updated at
2023-05-14 18:41:30 +0900
Keyword
Phonon
(451)
Ia-3d (230)
(43)
C2/c (15)
(29)
P31c (159)
(15)
Pnma (62)
(14)
Fddd (70)
(13)
Cmce (64)
(10)
I4_1/acd (142)
(7)
MgAl2O4
(7)
C2/m (12)
(6)
F-43m (216)
(5)
Fd-3 (203)
(5)
Fd-3m (227)
(5)
CdI2
(4)
Fdd2 (43)
(4)
I4/m (87)
(4)
Ibam (72)
(4)
P2_1/c (14)
(4)
P3m1 (156)
(4)
Pbca (61)
(4)
R3m (160)
(4)
Cm (8)
(3)
I4_1/a (88)
(3)
Ia-3 (206)
(3)
R-3c (167)
(3)
Cc (9)
(2)
F-43c (219)
(2)
I-43d (220)
(2)
Im-3 (204)
(2)
KAlSiO4
(2)
Na3MgC2ClO6
(2)
Na4Bi2C4SO16
(2)
Na6Mg2C4SO16
(2)
P6_3 (173)
(2)
Pbcn (60)
(2)
R-3 (148)
(2)
R32 (155)
(2)
R3c (161)
(2)
rocksalt-AgBr
(2)
rocksalt-AgCl
(2)
rocksalt-BaO
(2)
rocksalt-BaS
(2)
rocksalt-BaSe
(2)
rocksalt-BaTe
(2)
rocksalt-CaO
(2)
rocksalt-CaS
(2)
rocksalt-CaSe
(2)
rocksalt-CaTe
(2)
rocksalt-CdO
(2)
rocksalt-CsF
(2)
rocksalt-KBr
(2)
rocksalt-KCl
(2)
rocksalt-KF
(2)
rocksalt-KH
(2)
rocksalt-KI
(2)
rocksalt-LiBr
(2)
rocksalt-LiCl
(2)
rocksalt-LiF
(2)
rocksalt-LiH
(2)
rocksalt-LiI
(2)
rocksalt-MgO
(2)
rocksalt-NaBr
(2)
rocksalt-NaCl
(2)
rocksalt-NaF
(2)
rocksalt-NaH
(2)
rocksalt-NaI
(2)
rocksalt-PbS
(2)
rocksalt-PbSe
(2)
rocksalt-PbTe
(2)
rocksalt-RbBr
(2)
rocksalt-RbCl
(2)
rocksalt-RbF
(2)
rocksalt-RbH
(2)
rocksalt-RbI
(2)
rocksalt-SrO
(2)
wurtzite-AgI
(2)
wurtzite-AlAs
(2)
wurtzite-AlN
(2)
wurtzite-AlP
(2)
wurtzite-AlSb
(2)
wurtzite-BAs
(2)
wurtzite-BN
(2)
wurtzite-BP
(2)
wurtzite-BeO
(2)
wurtzite-BeS
(2)
wurtzite-BeSe
(2)
wurtzite-BeTe
(2)
wurtzite-CdS
(2)
wurtzite-CdSe
(2)
wurtzite-CdTe
(2)
wurtzite-CuBr
(2)
wurtzite-CuCl
(2)
wurtzite-CuH
(2)
wurtzite-CuI
(2)
wurtzite-GaAs
(2)
wurtzite-GaN
(2)
wurtzite-GaP
(2)
wurtzite-GaSb
(2)
wurtzite-InAs
(2)
wurtzite-InN
(2)
wurtzite-InP
(2)
wurtzite-InSb
(2)
wurtzite-MgTe
(2)
wurtzite-SiC
(2)
wurtzite-ZnO
(2)
wurtzite-ZnS
(2)
wurtzite-ZnSe
(2)
wurtzite-ZnTe
(2)
zincblende-AgI
(2)
zincblende-AlAs
(2)
zincblende-AlN
(2)
zincblende-AlP
(2)
zincblende-AlSb
(2)
zincblende-BAs
(2)
zincblende-BN
(2)
zincblende-BP
(2)
zincblende-BeO
(2)
zincblende-BeS
(2)
zincblende-BeSe
(2)
zincblende-BeTe
(2)
zincblende-CdS
(2)
zincblende-CdSe
(2)
zincblende-CdTe
(2)
zincblende-CuBr
(2)
zincblende-CuCl
(2)
zincblende-CuH
(2)
zincblende-CuI
(2)
zincblende-GaAs
(2)
zincblende-GaN
(2)
zincblende-GaP
(2)
zincblende-GaSb
(2)
zincblende-InAs
(2)
zincblende-InN
(2)
zincblende-InP
(2)
zincblende-InSb
(2)
zincblende-MgTe
(2)
zincblende-SiC
(2)
zincblende-ZnO
(2)
zincblende-ZnS
(2)
zincblende-ZnSe
(2)
zincblende-ZnTe
(2)
Aea2 (41)
(1)
Aem2 (39)
(1)
AgSb(S8F3)2
(1)
Al(PO3)3
(1)
Al13Si5H18ClO38
(1)
Al2Cd3(SiO4)3
(1)
Al2CdSe4
(1)
Al4C3
(1)
AlH12(NO5)3
(1)
Ba(InS2)2
(1)
Ba(InSe2)2
(1)
Ba14AlSb11
(1)
Ba17Dy16Zn8Pt4O57
(1)
Ba17Er16Zn8Pt4O57
(1)
Ba17Ho16Zn8Pt4O57
(1)
Ba17Y16Zn8Pt4O57
(1)
Ba2NaNb5O15
(1)
Ba2Nd7Si11N23
(1)
Ba3In2(HO)12
(1)
Ba3Lu2Zn5O11
(1)
Ba3Zn5In2O11
(1)
Ba3Zr6BeCl18
(1)
Ba4Al2O7
(1)
Ba4Na(BO3)3
(1)
Ba4Ti11O26
(1)
Ba4Ti13O30
(1)
Ba7Al64O103
(1)
Ba7Cu3H17
(1)
BaGa2(GeO4)2
(1)
BaGa2(SiO4)2
(1)
BaLa2Te5O14
(1)
BaLi2Ti6O14
(1)
BaNa2Nd2Si4CO15
(1)
BaSrTa2O7
(1)
BaTi2O5
(1)
BeF2
(1)
Bi2Te2O7
(1)
C2 (5)
(1)
C222_1 (20)
(1)
Ca(AlS2)2
(1)
Ca(GaS2)2
(1)
Ca12Be17O29
(1)
Ca13Y6F43
(1)
Ca19(Mg4H27)2
(1)
Ca2Zr5Ti2O16
(1)
Ca3Al2(HO)12
(1)
Ca3Al2(SiO4)3
(1)
Ca3Ga2(SiO4)3
(1)
Ca3Ga2Si(SnO6)2
(1)
Ca3In2(SiO4)3
(1)
Ca3Sc2(GeO4)3
(1)
Ca3Sc2(SiO4)3
(1)
Ca3Y2(GeO4)3
(1)
Ca3Zn3(TeO6)2
(1)
Ca4Al6O13
(1)
Ca4Si2H2CO11
(1)
Ca4Te5O14
(1)
CaGeO3
(1)
CaH12(IO6)2
(1)
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Filter
Collection
MDR phonon calculation database(245)
Lattice thermal conductivity calculation datasets for 103 binary compounds by finite displacement method (PBE)(103)
Lattice thermal conductivity calculation datasets for 103 binary compounds by finite displacement method(103)
Resource type
Dataset(451)
Keyword
Phonon (451)
Ia-3d (230) (43)
C2/c (15) (29)
P31c (159) (15)
Pnma (62) (14)
Fddd (70) (13)
Cmce (64) (10)
I4_1/acd (142) (7)
MgAl2O4 (7)
C2/m (12) (6)
(more)
License
Creative Commons BY Attribution 4.0 International (451)
File type
application/x-xz (451)
image/png (245)