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Collection
MDR phonon calculation database(1685)
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(1893)
Journal article(1)
Keyword
Phonon (1894)
P2_1/c (14) (184)
C2/c (15) (124)
Pnma (62) (88)
C2/m (12) (67)
R-3m (166) (55)
Cmcm (63) (45)
P2_1/m (11) (44)
Fm-3m (225) (39)
Pbca (61) (33)
(more)
License
Creative Commons BY Attribution 4.0 International (1894)
File type
application/x-xz (1893)
image/png (1685)
text/markdown (2)
application/pdf (1)
License: Creative Commons BY Attribution 4.0 International
Keyword: Phonon
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1894 records found. Displaying records 1 to 10.
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Ab-initio phonon calculation for N2 / Pa-3 (205) / materials id 25
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
,
N2
,
Pa-3 (205)
Date published
Updated at
2023-05-14 18:46:48 +0900
Ab-initio phonon calculation for N2 / P2_13 (198) / materials id 154
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
,
N2
,
P2_13 (198)
Date published
Updated at
2023-05-14 18:35:21 +0900
Ab-initio phonon calculation for NiP2 / C2/c (15) / materials id 486
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
,
NiP2
,
C2/c (15)
Date published
Updated at
2023-05-14 18:43:32 +0900
Ab-initio phonon calculation for Ne / Fm-3m (225) / materials id 111
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
,
Ne
,
Fm-3m (225)
Date published
Updated at
2023-05-14 18:33:02 +0900
Ab-initio phonon calculation for NaH2N / Fddd (70) / materials id 632394
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
,
NaH2N
,
Fddd (70)
Date published
Updated at
2023-05-14 18:57:37 +0900
Ab-initio phonon calculation for NaH2N / Fddd (70) / materials id 23850
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
,
NaH2N
,
Fddd (70)
Date published
Updated at
2023-05-14 18:44:14 +0900
Ab-initio phonon calculation for Na5InO4 / Pmmn (59) / materials id 8840
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
,
Na5InO4
,
Pmmn (59)
Date published
Updated at
2023-05-14 18:54:11 +0900
Ab-initio phonon calculation for NaTe / Pbcn (60) / materials id 28353
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
,
NaTe
,
Pbcn (60)
Date published
Updated at
2023-05-14 18:35:09 +0900
Ab-initio phonon calculation for Na3P11 / Pbcn (60) / materials id 473
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
,
Na3P11
,
Pbcn (60)
Date published
Updated at
2023-05-14 18:35:26 +0900
Ab-initio phonon calculation for Na4UO5 / I4/m (87) / materials id 5327
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
,
Na4UO5
,
I4/m (87)
Date published
Updated at
2023-05-14 18:51:36 +0900
Keyword
Phonon
(1894)
P2_1/c (14)
(184)
C2/c (15)
(124)
Pnma (62)
(88)
C2/m (12)
(67)
R-3m (166)
(55)
Cmcm (63)
(45)
P2_1/m (11)
(44)
Fm-3m (225)
(39)
Pbca (61)
(33)
R-3c (167)
(31)
Pbcn (60)
(30)
P4/nmm (129)
(29)
P6_3/mmc (194)
(29)
Pna2_1 (33)
(29)
P-3m1 (164)
(27)
I4_1/amd (141)
(25)
P6_3mc (186)
(23)
P2_12_12_1 (19)
(21)
Cm (8)
(20)
I4/mmm (139)
(20)
Fd-3m (227)
(19)
P2/c (13)
(19)
P6_3 (173)
(18)
I-42d (122)
(17)
Cmc2_1 (36)
(16)
Cmce (64)
(15)
I4/mcm (140)
(15)
P4_2/n (86)
(15)
Pa-3 (205)
(15)
Fddd (70)
(14)
I-43m (217)
(14)
P4/n (85)
(14)
Ibam (72)
(13)
P-43n (218)
(13)
P2_1 (4)
(13)
P4_2/mnm (136)
(13)
R-3 (148)
(13)
C2 (5)
(12)
P2_13 (198)
(12)
P6_3/m (176)
(12)
Pc (7)
(12)
R3c (161)
(12)
R3m (160)
(12)
I4_1/a (88)
(11)
Pbcm (57)
(11)
Pm-3m (221)
(11)
Cc (9)
(10)
Imma (74)
(9)
P-3 (147)
(9)
P-42_1m (113)
(9)
Pca2_1 (29)
(9)
Pmmn (59)
(9)
R3 (146)
(9)
I-4 (82)
(8)
Ia-3 (206)
(8)
NaNbO3
(8)
P4/mmm (123)
(8)
Pnnm (58)
(8)
R32 (155)
(8)
Ama2 (40)
(7)
F-43m (216)
(7)
P-42_1c (114)
(7)
Pm (6)
(7)
Pmn2_1 (31)
(7)
Pnna (52)
(7)
Ia-3d (230)
(6)
P-3c1 (165)
(6)
P-43m (215)
(6)
P-62m (189)
(6)
P3_121 (152)
(6)
P4_132 (213)
(6)
P4_2/nmc (137)
(6)
Pbam (55)
(6)
SrTaNO2
(6)
Fdd2 (43)
(5)
I4_1/acd (142)
(5)
Imm2 (44)
(5)
Na2Si2O5
(5)
Na3CuO2
(5)
P321 (150)
(5)
Pmc2_1 (26)
(5)
Ba2Ti6N2O11
(4)
Ca3N2
(4)
Cmmm (65)
(4)
I-42m (121)
(4)
I4/m (87)
(4)
Im-3m (229)
(4)
LaMoN3
(4)
LaWN3
(4)
Li6Br3N
(4)
Na2SnO3
(4)
NaTaO3
(4)
Nb2O5
(4)
NbPO5
(4)
P-31c (163)
(4)
P2_12_12 (18)
(4)
P4/mbm (127)
(4)
P6_222 (180)
(4)
Sr2Ti6N2O11
(4)
YWN3
(4)
Amm2 (38)
(3)
BN
(3)
C222_1 (20)
(3)
Ca3(AlN2)2
(3)
Fd-3 (203)
(3)
First-principles calculation
(3)
Fmm2 (42)
(3)
Ga3NO3
(3)
Hf3N2O3
(3)
I4mm (107)
(3)
Immm (71)
(3)
KNO3
(3)
Li3BN2
(3)
Li7VN4
(3)
N2
(3)
Na2Ge2O5
(3)
Na2SO4
(3)
Na2UO4
(3)
NaAl11O17
(3)
NaHO
(3)
NaLaO2
(3)
NaLiCO3
(3)
NaLuO2
(3)
NaSiBO4
(3)
NaTmO2
(3)
Nd(HO)3
(3)
Nd2O3
(3)
NdTaO4
(3)
P-6 (174)
(3)
P2/m (10)
(3)
P31c (159)
(3)
P4/nbm (125)
(3)
P4_122 (91)
(3)
P4_2/m (84)
(3)
PNO
(3)
Pmna (53)
(3)
RbNO3
(3)
Ti3N2O3
(3)
Zr3N4
(3)
Al5C3N
(2)
AlN
(2)
BaWN3
(2)
Be3N2
(2)
BeSiN2
(2)
Ca2Si5N8
(2)
Ca3AsN
(2)
Ccce (68)
(2)
Clathrates
(2)
Cmme (67)
(2)
GaN
(2)
Ge2N2O
(2)
Ge3N4
(2)
H3N
(2)
H4BrN
(2)
H4NF
(2)
Hf3N4
(2)
HfBrN
(2)
I-43d (220)
(2)
I2_12_12_1 (24)
(2)
I2_13 (199)
(2)
I4_1md (109)
(2)
I4cm (108)
(2)
Ibca (73)
(2)
Ima2 (46)
(2)
LaTa2NO5
(2)
Lattice thermal conductivity
(2)
Li3N
(2)
Li5NCl2
(2)
LiMgN
(2)
Lu2(CN2)3
(2)
MgSiN2
(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)
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Filter
Collection
MDR phonon calculation database(1685)
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(1893)
Journal article(1)
Keyword
Phonon (1894)
P2_1/c (14) (184)
C2/c (15) (124)
Pnma (62) (88)
C2/m (12) (67)
R-3m (166) (55)
Cmcm (63) (45)
P2_1/m (11) (44)
Fm-3m (225) (39)
Pbca (61) (33)
(more)
License
Creative Commons BY Attribution 4.0 International (1894)
File type
application/x-xz (1893)
image/png (1685)
text/markdown (2)
application/pdf (1)