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Article and Dataset
Collection
MDR phonon calculation database(2553)
Resource type
Dataset(2555)
Keyword
Phonon (2555)
Fm-3m (225) (269)
P2_1/c (14) (201)
Pnma (62) (141)
C2/c (15) (89)
R-3m (166) (80)
P3m1 (156) (76)
Fd-3m (227) (65)
P2_13 (198) (62)
P6_3 (173) (61)
(more)
License
Creative Commons BY Attribution 4.0 International (2555)
File type
application/x-xz (2555)
image/png (2553)
text/markdown (2)
License: Creative Commons BY Attribution 4.0 International
Keyword: Phonon
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2555 records found. Displaying records 1 to 10.
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Input and Output Data for "Quartic Anharmonicity of Rattlers and Its Effect on Lattice Thermal Conductivity of Clathrates from First Principles"
Dataset
Creator
Terumasa Tadano
(author) (
Search by this author
)
Terumasa Tadano
;
Shinji Tsuneyuki
(author) (
Search by this author
)
Shinji Tsuneyuki
Keyword
Clathrates
,
First-principles calculation
,
Phonon
,
Lattice thermal conductivity
Date published
2018-03-07
Updated at
2026-08-19 16:57:17 +0900
Input and Output Data for "Impact of Rattlers on Thermal Conductivity of a Thermoelectric Clathrate: A First-Principles Study"
Dataset
Creator
Terumasa Tadano
(author) (
Search by this author
)
Terumasa Tadano
;
Yoshihiro Gohda
(author) (
Search by this author
)
Yoshihiro Gohda
;
Shinji Tsuneyuki
(author) (
Search by this author
)
Shinji Tsuneyuki
Keyword
Clathrates
,
First-principles calculation
,
Phonon
,
Lattice thermal conductivity
Date published
2015-03-04
Updated at
2026-08-18 15:46:45 +0900
Ab-initio phonon calculation for SiC / R3m (160) / materials id 9947
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
,
SiC
,
R3m (160)
Date published
Updated at
2023-05-14 18:44:59 +0900
Ab-initio phonon calculation for Cs2IBrCl6 / Fm-3m (225) / materials id 992141
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
,
Cs2IBrCl6
,
Fm-3m (225)
Date published
Updated at
2023-05-14 18:44:20 +0900
Ab-initio phonon calculation for NbCu3Te4 / P-43m (215) / materials id 991676
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
,
NbCu3Te4
,
P-43m (215)
Date published
Updated at
2023-05-14 18:43:19 +0900
Ab-initio phonon calculation for VCu3Te4 / P-43m (215) / materials id 991652
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
,
VCu3Te4
,
P-43m (215)
Date published
Updated at
2023-05-14 18:43:03 +0900
Ab-initio phonon calculation for Cs2NaAlH6 / Fm-3m (225) / materials id 989642
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
,
Cs2NaAlH6
,
Fm-3m (225)
Date published
Updated at
2023-05-14 18:32:45 +0900
Ab-initio phonon calculation for Cs2KInF6 / Fm-3m (225) / materials id 989639
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
,
Cs2KInF6
,
Fm-3m (225)
Date published
Updated at
2023-05-14 18:32:19 +0900
Ab-initio phonon calculation for BaReN3 / C2/c (15) / materials id 989637
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
,
BaReN3
,
C2/c (15)
Date published
Updated at
2023-05-14 19:03:06 +0900
Ab-initio phonon calculation for LaWN3 / C2/c (15) / materials id 989633
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
,
LaWN3
,
C2/c (15)
Date published
Updated at
2023-05-14 19:03:05 +0900
Keyword
Phonon
(2555)
Fm-3m (225)
(269)
P2_1/c (14)
(201)
Pnma (62)
(141)
C2/c (15)
(89)
R-3m (166)
(80)
P3m1 (156)
(76)
Fd-3m (227)
(65)
P2_13 (198)
(62)
P6_3 (173)
(61)
R-3c (167)
(55)
R-3 (148)
(54)
I-42d (122)
(53)
C2/m (12)
(48)
P-43n (218)
(48)
I4_1/amd (141)
(46)
P6_3mc (186)
(44)
CdI2
(43)
Pa-3 (205)
(43)
ZnS
(42)
I-43m (217)
(40)
F-43m (216)
(38)
P6_3/m (176)
(36)
Pbca (61)
(36)
R3m (160)
(35)
P321 (150)
(34)
Cmc2_1 (36)
(28)
I4/mmm (139)
(28)
P-42_1m (113)
(28)
Ia-3 (206)
(26)
P3_121 (152)
(25)
Pna2_1 (33)
(21)
P-31c (163)
(20)
Cmcm (63)
(19)
P-43m (215)
(19)
P2_1/m (11)
(19)
Pbcn (60)
(19)
I4/m (87)
(18)
P4_12_12 (92)
(18)
Cc (9)
(17)
R3 (146)
(17)
P4_2/mnm (136)
(16)
P4_2/nmc (137)
(16)
P6_3/mmc (194)
(15)
SiO2
(15)
I4/mcm (140)
(14)
P2_12_12_1 (19)
(14)
Pnnm (58)
(14)
I-4 (82)
(12)
Im-3m (229)
(12)
P-31m (162)
(12)
P-3m1 (164)
(12)
P4/mbm (127)
(12)
P-3 (147)
(11)
P-6 (174)
(11)
P-62m (189)
(11)
P31c (159)
(11)
Pbcm (57)
(11)
SiC
(11)
C2 (5)
(10)
I2_13 (199)
(10)
P2_1 (4)
(10)
P2/c (13)
(9)
Pm-3m (221)
(9)
I4_1/a (88)
(8)
Imma (74)
(8)
P-3c1 (165)
(8)
P-6c2 (188)
(8)
P4_2/n (86)
(8)
P6_3/mcm (193)
(8)
Pn-3 (201)
(8)
Cmce (64)
(7)
I-43d (220)
(7)
I4mm (107)
(7)
Immm (71)
(7)
P4/n (85)
(7)
P4/nmm (129)
(7)
P4_2/mbc (135)
(7)
Al2O3
(6)
Cm (8)
(6)
I23 (197)
(6)
I4_1/acd (142)
(6)
P4_2mc (105)
(6)
Pc (7)
(6)
Pmc2_1 (26)
(6)
Pmmn (59)
(6)
I4_1md (109)
(5)
Ibam (72)
(5)
NaNbO3
(5)
P3_221 (154)
(5)
P4_132 (213)
(5)
Pmna (53)
(5)
Pn-3m (224)
(5)
SrTaNO2
(5)
Amm2 (38)
(4)
Ba(HO)2
(4)
Bi(BO2)3
(4)
Fdd2 (43)
(4)
Fddd (70)
(4)
Fmmm (69)
(4)
I2_12_12_1 (24)
(4)
MgAl2O4
(4)
MgSiO3
(4)
P-62c (190)
(4)
P3 (143)
(4)
P3_2 (145)
(4)
P4/mmm (123)
(4)
P4_32_12 (96)
(4)
P4_332 (212)
(4)
P6_222 (180)
(4)
P6_3cm (185)
(4)
Pca2_1 (29)
(4)
Pnna (52)
(4)
SiP2O7
(4)
SrHfO3
(4)
AlPO4
(3)
BeF2
(3)
CaTiO3
(3)
HIO3
(3)
HfPbO3
(3)
Im-3 (204)
(3)
K3Nb3(BO6)2
(3)
KRb2ScF6
(3)
Li6Br3N
(3)
LiNbO3
(3)
LiSbO3
(3)
P-42_1c (114)
(3)
P-4c2 (116)
(3)
P3_1 (144)
(3)
P4/mnc (128)
(3)
P4/nbm (125)
(3)
P4/ncc (130)
(3)
P4_122 (91)
(3)
P4_2/mcm (132)
(3)
P6_322 (182)
(3)
P6_422 (181)
(3)
PbI2
(3)
Pba2 (32)
(3)
Pbam (55)
(3)
Pnn2 (34)
(3)
ScBiO3
(3)
SrSnO3
(3)
SrZrO3
(3)
TeHO3
(3)
Ti3(BiO3)4
(3)
TiCdO3
(3)
Zn(HO)2
(3)
AgBr
(2)
AgTeO3
(2)
Al2Se3
(2)
Al5C3N
(2)
AlGaO3
(2)
Ama2 (40)
(2)
Ba2BiSbO6
(2)
Ba2HoTaO6
(2)
Ba2LaCl7
(2)
Ba2LaTaO6
(2)
Ba2NdNbO6
(2)
Ba2TaBiO6
(2)
Ba2YBr7
(2)
Ba2YF7
(2)
Ba2YI7
(2)
Ba2YTaO6
(2)
Ba3GeO5
(2)
Ba4LiNb3O12
(2)
BaBPO5
(2)
BaCO3
(2)
BaCa(CO3)2
(2)
Be(HO)2
(2)
Bi3O2F5
(2)
BiOF
(2)
C222_1 (20)
(2)
Ca3N2
(2)
Ca3UO6
(2)
CaAl2Si2(H2O5)2
(2)
CaCO3
(2)
CaSeO3
(2)
CdGe(BiO3)2
(2)
CdSeO3
(2)
Clathrates
(2)
CsSn
(2)
CuAg3S2
(2)
First-principles calculation
(2)
Ga2S3
(2)
Ga3NO3
(2)
GaAg(PSe3)2
(2)
Ge2N2O
(2)
Ge3N4
(2)
Ge3Os2
(2)
Ge3Pb5O11
(2)
GeO2
(2)
HgSeO3
(2)
In(IO3)3
(2)
In2S3
(2)
InBiO3
(2)
K2LiAlF6
(2)
K2LiAlH6
(2)
K2P3
(2)
K3ClO
(2)
K5YO4
(2)
RDE metadata def
RDE invoice schema
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Filter
Collection
MDR phonon calculation database(2553)
Resource type
Dataset(2555)
Keyword
Phonon (2555)
Fm-3m (225) (269)
P2_1/c (14) (201)
Pnma (62) (141)
C2/c (15) (89)
R-3m (166) (80)
P3m1 (156) (76)
Fd-3m (227) (65)
P2_13 (198) (62)
P6_3 (173) (61)
(more)
License
Creative Commons BY Attribution 4.0 International (2555)
File type
application/x-xz (2555)
image/png (2553)
text/markdown (2)