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Article and Dataset
Collection
MDR phonon calculation database(1268)
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(1474)
Journal article(1)
Keyword
Phonon (1475)
P2_1/c (14) (152)
Pna2_1 (33) (128)
C2/c (15) (84)
Fm-3m (225) (67)
Pnma (62) (54)
Pnna (52) (37)
R-3m (166) (32)
C2/m (12) (31)
Cmcm (63) (30)
(more)
License
Creative Commons BY Attribution 4.0 International (1475)
File type
application/x-xz (1474)
image/png (1268)
application/pdf (1)
Keyword: Phonon
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1475 records found. Displaying records 1 to 10.
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Ab-initio phonon calculation for Ba2NaReO6 / Fm-3m (225) / materials id 6798
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
,
Ba2NaReO6
,
Fm-3m (225)
Date published
Updated at
2023-05-14 18:58:02 +0900
Ab-initio phonon calculation for NaReO4 / I4_1/a (88) / materials id 5558
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
,
NaReO4
,
I4_1/a (88)
Date published
Updated at
2023-05-14 18:48:20 +0900
Ab-initio phonon calculation for K3NaRe2O9 / P6_3/mmc (194) / materials id 541393
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
,
K3NaRe2O9
,
P6_3/mmc (194)
Date published
Updated at
2023-05-14 18:34:30 +0900
Database and deep-learning scalability of anharmonic phonon properties by automated brute-force first-principles calculations
Journal article
Creator
Masato Ohnishi
(author) (
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)
Masato Ohnishi
;
Tianqi Deng
(author) (
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)
Tianqi Deng
;
Pol Torres
(author) (
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)
Pol Torres
;
Zhihao Xu
(author) (
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)
Zhihao Xu
;
Terumasa Tadano
(author) (
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)
https://orcid.org/0000-0002-8132-2161
NIMS Researchers Directory SAMURAI
Terumasa Tadano
;
Haoming Zhang
(author) (
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)
Haoming Zhang
;
Wei Nong
(author) (
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)
Wei Nong
;
Masatoshi Hanai
(author) (
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)
Masatoshi Hanai
;
Zeyu Wang
(author) (
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)
Zeyu Wang
;
Michimasa Morita
(author) (
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)
Michimasa Morita
;
Zhiting Tian
(author) (
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)
Zhiting Tian
;
Ming Hu
(author) (
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)
Ming Hu
;
Xiulin Ruan
(author) (
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)
Xiulin Ruan
;
Ryo Yoshida
(author) (
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)
Ryo Yoshida
;
Toyotaro Suzumura
(author) (
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)
Toyotaro Suzumura
;
Lucas Lindsay
(author) (
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)
Lucas Lindsay
;
Alan J. H. McGaughey
(author) (
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)
Alan J. H. McGaughey
;
Tengfei Luo
(author) (
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)
Tengfei Luo
;
Kedar Hippalgaonkar
(author) (
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)
Kedar Hippalgaonkar
;
Junichiro Shiomi
(author) (
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)
Junichiro Shiomi
Keyword
Thermal conductivity
,
Phonon
,
First-principles calculation
Date published
2026-04-13
Updated at
2026-05-12 08:46:56 +0900
Ab-initio phonon calculation for NaAlO2 / Pna2_1 (33) / materials id 9212
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
,
NaAlO2
,
Pna2_1 (33)
Date published
Updated at
2023-05-14 18:59:27 +0900
Ab-initio phonon calculation for NaGeSbO5 / Pna2_1 (33) / materials id 8341
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
,
NaGeSbO5
,
Pna2_1 (33)
Date published
Updated at
2023-05-14 19:05:36 +0900
Ab-initio phonon calculation for Na2Ti2O5 / Pna2_1 (33) / materials id 779729
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
,
Na2Ti2O5
,
Pna2_1 (33)
Date published
Updated at
2023-05-14 19:03:19 +0900
Ab-initio phonon calculation for KNaZrSi3H4O11 / Pna2_1 (33) / materials id 773906
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
,
KNaZrSi3H4O11
,
Pna2_1 (33)
Date published
Updated at
2023-05-14 19:03:00 +0900
Ab-initio phonon calculation for Na2Ge2O5 / Pna2_1 (33) / materials id 771248
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
,
Na2Ge2O5
,
Pna2_1 (33)
Date published
Updated at
2023-05-14 19:02:26 +0900
Ab-initio phonon calculation for NaZnAsO4 / P6_3 (173) / materials id 6566
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
,
NaZnAsO4
,
P6_3 (173)
Date published
Updated at
2023-05-14 18:48:34 +0900
Keyword
Phonon
(1475)
P2_1/c (14)
(152)
Pna2_1 (33)
(128)
C2/c (15)
(84)
Fm-3m (225)
(67)
Pnma (62)
(54)
Pnna (52)
(37)
R-3m (166)
(32)
C2/m (12)
(31)
Cmcm (63)
(30)
P4/nmm (129)
(30)
R-3c (167)
(29)
P2_1/m (11)
(28)
Pbcn (60)
(21)
Pbca (61)
(20)
Ibam (72)
(19)
I4_1/amd (141)
(18)
P2_12_12_1 (19)
(18)
P6_3/mmc (194)
(16)
P6_3mc (186)
(15)
Cmce (64)
(12)
Fddd (70)
(12)
Pmna (53)
(12)
P-3m1 (164)
(11)
P-43n (218)
(11)
P2/c (13)
(11)
I4/mmm (139)
(10)
P2_13 (198)
(10)
P4_2/mnm (136)
(10)
P6_3 (173)
(10)
C2 (5)
(9)
I-43m (217)
(9)
P2_1 (4)
(9)
R-3 (148)
(9)
Cmc2_1 (36)
(8)
I4/m (87)
(8)
I4_1/a (88)
(8)
NaNbO3
(8)
Pnnm (58)
(8)
R3c (161)
(8)
Cc (9)
(7)
P-3 (147)
(7)
P-62m (189)
(7)
Pca2_1 (29)
(7)
Pm-3m (221)
(7)
R3m (160)
(7)
Ama2 (40)
(6)
Fd-3m (227)
(6)
I4/mcm (140)
(6)
Ia-3d (230)
(6)
Imma (74)
(6)
P-31c (163)
(6)
P-42_1c (114)
(6)
Pc (7)
(6)
R3 (146)
(6)
Fdd2 (43)
(5)
I-42m (121)
(5)
Na2Si2O5
(5)
Na3CuO2
(5)
P321 (150)
(5)
Pbam (55)
(5)
Pbcm (57)
(5)
F-43m (216)
(4)
I-42d (122)
(4)
I4_1/acd (142)
(4)
Na2SnO3
(4)
NaTaO3
(4)
P-3c1 (165)
(4)
P4/nbm (125)
(4)
P4_2/nmc (137)
(4)
Pmmn (59)
(4)
Pmn2_1 (31)
(4)
Fd-3 (203)
(3)
I-4 (82)
(3)
I4mm (107)
(3)
Im-3m (229)
(3)
Ima2 (46)
(3)
KNa(BH4)2
(3)
Na2Ge2O5
(3)
Na2SO4
(3)
Na2UO4
(3)
NaAl11O17
(3)
NaHO
(3)
NaLaO2
(3)
NaLiCO3
(3)
NaLuO2
(3)
NaSiBO4
(3)
NaTmO2
(3)
P-42_1m (113)
(3)
P3_121 (152)
(3)
P4/mbm (127)
(3)
P4_132 (213)
(3)
P4_2/m (84)
(3)
P6_3/m (176)
(3)
Pcca (54)
(3)
Pm (6)
(3)
Pmc2_1 (26)
(3)
R32 (155)
(3)
AlGaO3
(2)
BaNa6O4
(2)
Cmmm (65)
(2)
Iba2 (45)
(2)
Imm2 (44)
(2)
Immm (71)
(2)
K2ZnCl4
(2)
KNaSO4
(2)
Na2BeF4
(2)
Na2BeSiO4
(2)
Na2BiO3
(2)
Na2CO3
(2)
Na2Ge2Se5
(2)
Na2LiAlH6
(2)
Na2MgSiO4
(2)
Na2O
(2)
Na2PtO3
(2)
Na2S
(2)
Na2SnO2
(2)
Na2SnSe3
(2)
Na2TeO4
(2)
Na2ThF6
(2)
Na2Ti2O5
(2)
Na2TiF6
(2)
Na2TiSiO5
(2)
Na2Zn2O3
(2)
Na2ZnSiO4
(2)
Na3AlF6
(2)
Na3BiO4
(2)
Na3CuO3
(2)
Na3GaS3
(2)
Na3MgC2ClO6
(2)
Na3PO4
(2)
Na3PS4
(2)
Na3YCl6
(2)
Na4Bi2C4SO16
(2)
Na4Ti5O12
(2)
Na4Zr2(SiO4)3
(2)
Na5InO4
(2)
Na5LaO4
(2)
Na5P3O10
(2)
Na5ReO6
(2)
Na6Mg2C4SO16
(2)
Na6MgO4
(2)
Na6PbO5
(2)
Na6Ti2O7
(2)
Na8Al6Si6SO28
(2)
NaAlH2CO5
(2)
NaAlSiO4
(2)
NaBH4
(2)
NaCaAlF6
(2)
NaClO4
(2)
NaDyO2
(2)
NaErO2
(2)
NaGaO2
(2)
NaGeSbO5
(2)
NaH2N
(2)
NaHS
(2)
NaHoO2
(2)
NaMgF3
(2)
NaN3
(2)
NaNb3O8
(2)
NaPO3
(2)
NaS
(2)
NaSb(PS3)2
(2)
NaSb3O8
(2)
NaSbS2
(2)
NaSmO2
(2)
NaTlO2
(2)
NaZnAsO4
(2)
NaZnPO4
(2)
NbSbO4
(2)
P-4 (81)
(2)
P-42m (111)
(2)
P-6 (174)
(2)
P-62c (190)
(2)
P2/m (10)
(2)
P23 (195)
(2)
P31c (159)
(2)
P31m (157)
(2)
P3m1 (156)
(2)
P4/mmm (123)
(2)
P4/mnc (128)
(2)
P4_122 (91)
(2)
P6_3/mcm (193)
(2)
P6_3cm (185)
(2)
Rb2NaHoF6
(2)
SbO2
(2)
TeHO3
(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)
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Collection
MDR phonon calculation database(1268)
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(1474)
Journal article(1)
Keyword
Phonon (1475)
P2_1/c (14) (152)
Pna2_1 (33) (128)
C2/c (15) (84)
Fm-3m (225) (67)
Pnma (62) (54)
Pnna (52) (37)
R-3m (166) (32)
C2/m (12) (31)
Cmcm (63) (30)
(more)
License
Creative Commons BY Attribution 4.0 International (1475)
File type
application/x-xz (1474)
image/png (1268)
application/pdf (1)