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Collection
MDR phonon calculation database(8981)
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(9187)
Journal article(1)
Keyword
Phonon (9188)
P2_1/c (14) (1072)
Pnma (62) (839)
C2/c (15) (599)
C2/m (12) (368)
Cmcm (63) (301)
R-3m (166) (279)
P2_1/m (11) (206)
P-3m1 (164) (190)
P6_3/mmc (194) (167)
(more)
License
Creative Commons BY Attribution 4.0 International (9188)
File type
application/x-xz (9187)
image/png (8981)
application/pdf (1)
Keyword: Phonon
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9188 records found. Displaying records 1 to 10.
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Ab-initio phonon calculation for Re3(TeBr)7 / R-3 (148) / materials id 623087
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(TeBr)7
,
R-3 (148)
Date published
Updated at
2023-05-14 18:53:52 +0900
Ab-initio phonon calculation for NaGa3Te5 / R32 (155) / materials id 29462
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
,
NaGa3Te5
,
R32 (155)
Date published
Updated at
2023-05-14 18:50:00 +0900
Ab-initio phonon calculation for CsMgP(H6O5)2 / F-43m (216) / materials id 761178
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
,
CsMgP(H6O5)2
,
F-43m (216)
Date published
Updated at
2023-05-14 19:00:33 +0900
Ab-initio phonon calculation for K2NbCuSe4 / Fddd (70) / materials id 9003
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
,
K2NbCuSe4
,
Fddd (70)
Date published
Updated at
2023-05-14 18:57:00 +0900
Ab-initio phonon calculation for K2TaCuSe4 / Fddd (70) / materials id 8972
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
,
K2TaCuSe4
,
Fddd (70)
Date published
Updated at
2023-05-14 18:56:29 +0900
Ab-initio phonon calculation for B6H10N / Fm-3 (202) / materials id 31064
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
,
B6H10N
,
Fm-3 (202)
Date published
Updated at
2023-05-14 18:46:59 +0900
Ab-initio phonon calculation for K3PSe16 / Fd-3 (203) / materials id 29947
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
,
K3PSe16
,
Fd-3 (203)
Date published
Updated at
2023-05-14 18:34:20 +0900
Ab-initio phonon calculation for La2GaN3 / C2/c (15) / materials id 568036
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
,
La2GaN3
,
C2/c (15)
Date published
Updated at
2023-05-14 18:40:25 +0900
Ab-initio phonon calculation for Ca11InSb9 / Iba2 (45) / materials id 29722
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
,
Ca11InSb9
,
Iba2 (45)
Date published
Updated at
2023-05-14 18:50:57 +0900
Ab-initio phonon calculation for NdGa3(BO3)4 / R32 (155) / materials id 561187
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
,
NdGa3(BO3)4
,
R32 (155)
Date published
Updated at
2023-05-14 18:54:42 +0900
Keyword
Phonon
(9188)
P2_1/c (14)
(1072)
Pnma (62)
(839)
C2/c (15)
(599)
C2/m (12)
(368)
Cmcm (63)
(301)
R-3m (166)
(279)
P2_1/m (11)
(206)
P-3m1 (164)
(190)
P6_3/mmc (194)
(167)
R-3 (148)
(166)
P4/nmm (129)
(147)
R-3c (167)
(147)
I4/mmm (139)
(134)
Fm-3m (225)
(130)
Pbca (61)
(128)
Pna2_1 (33)
(128)
Pbcn (60)
(123)
P2_12_12_1 (19)
(120)
P3m1 (156)
(111)
Cmc2_1 (36)
(108)
P2_1 (4)
(100)
I4/mcm (140)
(95)
Cmce (64)
(91)
I-42d (122)
(87)
Fd-3m (227)
(85)
CdI2
(84)
P2/c (13)
(83)
Cc (9)
(82)
Pm-3m (221)
(80)
P6_3mc (186)
(79)
I4_1/amd (141)
(72)
P6_3/m (176)
(72)
R3m (160)
(68)
Cm (8)
(66)
P4_2/mnm (136)
(66)
F-43m (216)
(62)
Fddd (70)
(62)
I-4 (82)
(61)
Ibam (72)
(61)
Pnnm (58)
(61)
P4/mmm (123)
(60)
C2 (5)
(59)
Pbcm (57)
(58)
Imma (74)
(55)
Pmn2_1 (31)
(55)
SiO2
(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)
Ia-3 (206)
(35)
R3 (146)
(35)
I4/m (87)
(34)
I4_1/acd (142)
(34)
P2_13 (198)
(33)
ZnS
(33)
Fdd2 (43)
(31)
P6_3cm (185)
(31)
P-62m (189)
(30)
Pca2_1 (29)
(30)
P3_121 (152)
(29)
P6_3 (173)
(28)
P-3 (147)
(25)
P-31c (163)
(25)
I-42m (121)
(24)
I-43m (217)
(24)
P-31m (162)
(23)
P-3c1 (165)
(23)
R32 (155)
(23)
P-43n (218)
(22)
Pmc2_1 (26)
(22)
Cmmm (65)
(18)
Amm2 (38)
(16)
P4_12_12 (92)
(16)
Aea2 (41)
(15)
P2/m (10)
(15)
P-6c2 (188)
(14)
Pmma (51)
(14)
Fmmm (69)
(13)
P-42_1m (113)
(13)
P-62c (190)
(13)
P6_3/mcm (193)
(13)
SiC
(13)
Ima2 (46)
(12)
Imm2 (44)
(12)
P-43m (215)
(12)
P2_12_12 (18)
(12)
P4_2/nmc (137)
(12)
Pmna (53)
(12)
P2 (3)
(11)
P4/mnc (128)
(11)
P4/ncc (130)
(11)
Pccn (56)
(11)
Pm (6)
(11)
Pn-3 (201)
(11)
MgAl2O4
(10)
P-42_1c (114)
(10)
P4/n (85)
(10)
P4/nbm (125)
(10)
P4_2/n (86)
(10)
P6_222 (180)
(10)
PbI2
(10)
BiOF
(9)
Cmme (67)
(9)
Fmm2 (42)
(9)
P-6m2 (187)
(9)
P31c (159)
(9)
P321 (150)
(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)
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)
LiAgF4
(5)
LiNbO3
(5)
Na2Si2O5
(5)
P31m (157)
(5)
P3_1 (144)
(5)
P4_122 (91)
(5)
P4_132 (213)
(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)
GeO2
(4)
GeS2
(4)
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Filter
Collection
MDR phonon calculation database(8981)
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(9187)
Journal article(1)
Keyword
Phonon (9188)
P2_1/c (14) (1072)
Pnma (62) (839)
C2/c (15) (599)
C2/m (12) (368)
Cmcm (63) (301)
R-3m (166) (279)
P2_1/m (11) (206)
P-3m1 (164) (190)
P6_3/mmc (194) (167)
(more)
License
Creative Commons BY Attribution 4.0 International (9188)
File type
application/x-xz (9187)
image/png (8981)
application/pdf (1)