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Collection
MDR phonon calculation database(9064)
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(9270)
Journal article(1)
Keyword
Phonon (9271)
P2_1/c (14) (1072)
Pnma (62) (839)
C2/c (15) (599)
C2/m (12) (368)
Cmcm (63) (301)
R-3m (166) (286)
P2_1/m (11) (206)
P-3m1 (164) (190)
R-3 (148) (178)
(more)
License
Creative Commons BY Attribution 4.0 International (9271)
File type
application/x-xz (9270)
image/png (9064)
application/pdf (1)
Keyword: Phonon
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9271 records found. Displaying records 1 to 10.
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Ab-initio phonon calculation for Zn2Hg2OF6 / Fd-3m (227) / materials id 17972
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
,
Zn2Hg2OF6
,
Fd-3m (227)
Date published
Updated at
2023-05-14 18:32:27 +0900
Ab-initio phonon calculation for Nd2Zr2O7 / Fd-3m (227) / materials id 5977
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
,
Nd2Zr2O7
,
Fd-3m (227)
Date published
Updated at
2023-05-14 18:32:59 +0900
Ab-initio phonon calculation for Ta2Cd2O7 / Fd-3m (227) / materials id 5548
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
,
Ta2Cd2O7
,
Fd-3m (227)
Date published
Updated at
2023-05-14 18:54:25 +0900
Ab-initio phonon calculation for Ca2Ta2O7 / Fd-3m (227) / materials id 14026
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
,
Ca2Ta2O7
,
Fd-3m (227)
Date published
Updated at
2023-05-14 18:35:07 +0900
Ab-initio phonon calculation for Tl2Pt2O7 / Fd-3m (227) / materials id 13801
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
,
Tl2Pt2O7
,
Fd-3m (227)
Date published
Updated at
2023-05-14 18:33:59 +0900
Ab-initio phonon calculation for Nd2Pt2O7 / Fd-3m (227) / materials id 9765
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
,
Nd2Pt2O7
,
Fd-3m (227)
Date published
Updated at
2023-05-14 19:01:54 +0900
Ab-initio phonon calculation for Er2Ti2O7 / Fd-3m (227) / materials id 5889
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
,
Er2Ti2O7
,
Fd-3m (227)
Date published
Updated at
2023-05-14 18:59:24 +0900
Ab-initio phonon calculation for Nb2Cd2O7 / Fd-3m (227) / materials id 5472
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
,
Nb2Cd2O7
,
Fd-3m (227)
Date published
Updated at
2023-05-14 18:50:15 +0900
Ab-initio phonon calculation for Y2Ti2O7 / Fd-3m (227) / materials id 5373
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
,
Y2Ti2O7
,
Fd-3m (227)
Date published
Updated at
2023-05-14 18:50:54 +0900
Ab-initio phonon calculation for Tb2Sn2O7 / Fd-3m (227) / materials id 4991
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
,
Tb2Sn2O7
,
Fd-3m (227)
Date published
Updated at
2023-05-14 18:44:57 +0900
Keyword
Phonon
(9271)
P2_1/c (14)
(1072)
Pnma (62)
(839)
C2/c (15)
(599)
C2/m (12)
(368)
Cmcm (63)
(301)
R-3m (166)
(286)
P2_1/m (11)
(206)
P-3m1 (164)
(190)
R-3 (148)
(178)
P6_3/mmc (194)
(173)
R-3c (167)
(148)
P4/nmm (129)
(147)
Fm-3m (225)
(135)
I4/mmm (139)
(135)
Pbca (61)
(128)
Pna2_1 (33)
(128)
Pbcn (60)
(123)
P2_12_12_1 (19)
(120)
P3m1 (156)
(114)
Cmc2_1 (36)
(108)
P2_1 (4)
(100)
I4/mcm (140)
(95)
Cmce (64)
(91)
CdI2
(87)
I-42d (122)
(87)
Fd-3m (227)
(85)
P2/c (13)
(83)
Cc (9)
(82)
P6_3mc (186)
(81)
Pm-3m (221)
(80)
P6_3/m (176)
(78)
I4_1/amd (141)
(73)
R3m (160)
(72)
P4_2/mnm (136)
(67)
Cm (8)
(66)
F-43m (216)
(62)
Fddd (70)
(62)
I-4 (82)
(62)
Ibam (72)
(61)
P4/mmm (123)
(61)
Pnnm (58)
(61)
C2 (5)
(59)
Pbcm (57)
(58)
SiO2
(56)
Imma (74)
(55)
Pmn2_1 (31)
(55)
Pa-3 (205)
(54)
Pc (7)
(51)
I4_1/a (88)
(49)
Pbam (55)
(47)
Ia-3d (230)
(45)
Immm (71)
(43)
Pmmn (59)
(41)
R3c (161)
(38)
P4/mbm (127)
(37)
Pnna (52)
(37)
Ama2 (40)
(36)
C222_1 (20)
(36)
I4/m (87)
(36)
ZnS
(36)
Ia-3 (206)
(35)
R3 (146)
(35)
I4_1/acd (142)
(34)
P-62m (189)
(33)
P2_13 (198)
(33)
P6_3cm (185)
(33)
Fdd2 (43)
(31)
Pca2_1 (29)
(30)
P3_121 (152)
(29)
P6_3 (173)
(28)
P-3 (147)
(26)
P-31c (163)
(25)
I-42m (121)
(24)
I-43m (217)
(24)
P-3c1 (165)
(24)
P-31m (162)
(23)
R32 (155)
(23)
P-43n (218)
(22)
Pmc2_1 (26)
(22)
Cmmm (65)
(18)
P-42_1m (113)
(17)
Amm2 (38)
(16)
P4_12_12 (92)
(16)
Aea2 (41)
(15)
P2/m (10)
(15)
P4_2/n (86)
(15)
P-62c (190)
(14)
P-6c2 (188)
(14)
Pmma (51)
(14)
Fmmm (69)
(13)
P4_2/nmc (137)
(13)
P6_3/mcm (193)
(13)
Pn-3 (201)
(13)
SiC
(13)
Ima2 (46)
(12)
Imm2 (44)
(12)
P-43m (215)
(12)
P2_12_12 (18)
(12)
Pmna (53)
(12)
P2 (3)
(11)
P321 (150)
(11)
P4/mnc (128)
(11)
P4/n (85)
(11)
P4/ncc (130)
(11)
P6_222 (180)
(11)
Pccn (56)
(11)
Pm (6)
(11)
MgAl2O4
(10)
P-42_1c (114)
(10)
P4/nbm (125)
(10)
PbI2
(10)
BiOF
(9)
Cmme (67)
(9)
Fmm2 (42)
(9)
P-6m2 (187)
(9)
P31c (159)
(9)
P4_32_12 (96)
(9)
Al2O3
(8)
I-4m2 (119)
(8)
NaNbO3
(8)
P-4m2 (115)
(8)
P3_221 (154)
(8)
P4_2/mcm (132)
(8)
P6_322 (182)
(8)
Pcca (54)
(8)
ZrO2
(8)
Aem2 (39)
(7)
Al(HO)3
(7)
Ba2CaI6
(7)
Ba2SrI6
(7)
BaTiO3
(7)
Cccm (66)
(7)
I2_12_12_1 (24)
(7)
I2_13 (199)
(7)
I4mm (107)
(7)
Iba2 (45)
(7)
Ibca (73)
(7)
LiAgF2
(7)
LiAlSiO4
(7)
P-6 (174)
(7)
P4_2/ncm (138)
(7)
SrHfO3
(7)
AlHO2
(6)
AlPO4
(6)
BaSr2I6
(6)
Ccc2 (37)
(6)
CuI
(6)
HfO2
(6)
I23 (197)
(6)
I4cm (108)
(6)
LiCuS
(6)
P-4b2 (117)
(6)
P31m (157)
(6)
P4_132 (213)
(6)
P4bm (100)
(6)
P6/mmm (191)
(6)
P6_1 (169)
(6)
P6_422 (181)
(6)
Pba2 (32)
(6)
Pnn2 (34)
(6)
SrTaNO2
(6)
TiO2
(6)
AgI
(5)
AlF3
(5)
Ba3(BrO)2
(5)
Ccce (68)
(5)
Fd-3 (203)
(5)
Fm-3 (202)
(5)
H2O
(5)
I-43d (220)
(5)
I4 (79)
(5)
I422 (97)
(5)
LiAgF4
(5)
LiNbO3
(5)
Na2Si2O5
(5)
P-42m (111)
(5)
P3_1 (144)
(5)
P4_122 (91)
(5)
P4_2/m (84)
(5)
P4mm (99)
(5)
TeO2
(5)
Y2Si2O7
(5)
Ag2S
(4)
Ba(HO)2
(4)
Ba2Ti6N2O11
(4)
Ba3GeO5
(4)
BaCO3
(4)
BaCa2I6
(4)
Bi(BO2)3
(4)
Ca(BO2)2
(4)
Ca(HO)2
(4)
Ca3N2
(4)
CaAl2O4
(4)
CaCO3
(4)
CaSO4
(4)
CaTiO3
(4)
CsSnI3
(4)
CuBr
(4)
GaSe
(4)
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Collection
MDR phonon calculation database(9064)
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(9270)
Journal article(1)
Keyword
Phonon (9271)
P2_1/c (14) (1072)
Pnma (62) (839)
C2/c (15) (599)
C2/m (12) (368)
Cmcm (63) (301)
R-3m (166) (286)
P2_1/m (11) (206)
P-3m1 (164) (190)
R-3 (148) (178)
(more)
License
Creative Commons BY Attribution 4.0 International (9271)
File type
application/x-xz (9270)
image/png (9064)
application/pdf (1)