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MDR phonon calculation database(10034)
Lattice thermal conductivity calculation datasets for 103 binary compounds by finite displacement method(103)
資源タイプ
データセット(10137)
論文(9)
キーワード
Phonon (10137)
P2_1/c (14) (1072)
Pnma (62) (839)
C2/c (15) (599)
C2/m (12) (368)
Fm-3m (225) (332)
R-3m (166) (315)
Cmcm (63) (301)
P2_1/m (11) (206)
R-3 (148) (196)
(more)
ライセンス
Creative Commons BY Attribution 4.0 International (10144)
http://arxiv.org/licenses/nonexclusive-distrib/1.0/ (1)
http://creativecommons.org/publicdomain/zero/1.0/legalcode (1)
ファイル種別
application/x-xz (10137)
image/png (10034)
application/pdf (9)
10146 件のレコードが見つかりました。
10000 件まで表示します。超過した分は、ファセット検索で絞り込んでください。
Projector-based efficient estimation of force constants
論文
著者
Atsuto Seko
;
Atsushi Togo
キーワード
force constants
,
phonon
,
space group
,
symmetry
刊行年月日
2024-12-02
更新時刻
2024-12-07 12:30:26 +0900
Spglib: a software library for crystal symmetry search
論文
著者
Atsushi Togo
; Kohei Shinohara ; Isao Tanaka
キーワード
Space group
刊行年月日
2024-12-31
更新時刻
2024-11-12 16:30:24 +0900
On-the-fly training of polynomial machine learning potentials in computing lattice thermal conductivity
論文
著者
Atsushi Togo
; Atsuto Seko
キーワード
Polynomial machine learning potential
,
Lattice thermal conductivity calculation
刊行年月日
2024-06-07
更新時刻
2024-08-29 16:30:19 +0900
Symmetry classification of 2D materials: layer groups versus space groups
論文
著者
Jingheng Fu ; Mikael Kuisma ; Ask Hjorth Larsen ; Kohei Shinohara ;
Atsushi Togo
; Kristian S Thygesen
キーワード
Layer group
刊行年月日
2024-07-01
更新時刻
2024-08-21 16:30:34 +0900
Symmetry analysis with spin crystallographic groups: Disentangling effects free of spin-orbit coupling in emergent electromagnetism
論文
著者
Hikaru Watanabe ; Kohei Shinohara ; Takuya Nomoto ;
Atsushi Togo
; Ryotaro Arita
キーワード
Spin point group
刊行年月日
2024-03-28
更新時刻
2024-08-29 16:30:39 +0900
Algorithm for spin symmetry operation search
論文
著者
Kohei Shinohara ;
Atsushi Togo
; Hikaru Watanabe ; Takuya Nomoto ; Isao Tanaka ; Ryotaro Arita
キーワード
Spin symmetry operation
刊行年月日
更新時刻
2024-08-29 16:30:23 +0900
Phono3py input data to calculate lattice thermal conductvities for zincblende-ZnTe
データセット
コレクション
Lattice thermal conductivity calculation datasets for 103 binary compounds by finite displacement method
著者
Atsushi Togo
キーワード
Phonon
,
zincblende-ZnTe
刊行年月日
更新時刻
2024-01-28 16:19:53 +0900
Phono3py input data to calculate lattice thermal conductvities for zincblende-ZnSe
データセット
コレクション
Lattice thermal conductivity calculation datasets for 103 binary compounds by finite displacement method
著者
Atsushi Togo
キーワード
Phonon
,
zincblende-ZnSe
刊行年月日
更新時刻
2024-01-28 16:19:52 +0900
Phono3py input data to calculate lattice thermal conductvities for zincblende-ZnS
データセット
コレクション
Lattice thermal conductivity calculation datasets for 103 binary compounds by finite displacement method
著者
Atsushi Togo
キーワード
Phonon
,
zincblende-ZnS
刊行年月日
更新時刻
2024-01-28 16:19:51 +0900
Phono3py input data to calculate lattice thermal conductvities for zincblende-ZnO
データセット
コレクション
Lattice thermal conductivity calculation datasets for 103 binary compounds by finite displacement method
著者
Atsushi Togo
キーワード
Phonon
,
zincblende-ZnO
刊行年月日
更新時刻
2024-01-28 16:19:50 +0900
キーワード
Phonon
(10137)
P2_1/c (14)
(1072)
Pnma (62)
(839)
C2/c (15)
(599)
C2/m (12)
(368)
Fm-3m (225)
(332)
R-3m (166)
(315)
Cmcm (63)
(301)
P2_1/m (11)
(206)
R-3 (148)
(196)
P-3m1 (164)
(192)
P6_3/mmc (194)
(176)
P3m1 (156)
(171)
R-3c (167)
(152)
P4/nmm (129)
(151)
I4/mmm (139)
(146)
Fd-3m (227)
(142)
Pbca (61)
(128)
Pna2_1 (33)
(128)
Pbcn (60)
(123)
P2_12_12_1 (19)
(120)
I-42d (122)
(115)
P6_3mc (186)
(115)
CdI2
(114)
Cmc2_1 (36)
(108)
I4_1/amd (141)
(107)
P2_1 (4)
(100)
I4/mcm (140)
(98)
Cmce (64)
(91)
P6_3/m (176)
(89)
P6_3 (173)
(87)
Pm-3m (221)
(85)
R3m (160)
(85)
P2/c (13)
(83)
Cc (9)
(82)
F-43m (216)
(73)
P4_2/mnm (136)
(73)
I-4 (82)
(70)
P2_13 (198)
(70)
Pa-3 (205)
(70)
Cm (8)
(66)
ZnS
(66)
SiO2
(65)
Fddd (70)
(62)
Ibam (72)
(61)
P4/mmm (123)
(61)
Pnnm (58)
(61)
C2 (5)
(59)
Pbcm (57)
(58)
Imma (74)
(55)
Pmn2_1 (31)
(55)
I4_1/a (88)
(54)
P-43n (218)
(51)
Pc (7)
(51)
I-43m (217)
(50)
Pbam (55)
(47)
R3 (146)
(47)
Ia-3d (230)
(45)
P4/mbm (127)
(44)
Immm (71)
(43)
P321 (150)
(42)
I4/m (87)
(41)
Pmmn (59)
(41)
P-42_1m (113)
(40)
R3c (161)
(39)
P3_121 (152)
(37)
Pnna (52)
(37)
Ama2 (40)
(36)
C222_1 (20)
(36)
Ia-3 (206)
(36)
I4_1/acd (142)
(35)
P-62m (189)
(35)
P6_3cm (185)
(34)
Fdd2 (43)
(31)
P-3 (147)
(31)
P-31c (163)
(31)
Pca2_1 (29)
(30)
P-3c1 (165)
(28)
P4_12_12 (92)
(28)
I-42m (121)
(25)
P4_2/nmc (137)
(24)
R32 (155)
(24)
P-31m (162)
(23)
P-6c2 (188)
(22)
Pmc2_1 (26)
(22)
P-43m (215)
(19)
SiC
(19)
Cmmm (65)
(18)
Amm2 (38)
(16)
Im-3m (229)
(16)
Pn-3 (201)
(16)
Aea2 (41)
(15)
P-62c (190)
(15)
P2/m (10)
(15)
P31c (159)
(15)
P4_2/n (86)
(15)
MgAl2O4
(14)
P4/mnc (128)
(14)
P4/n (85)
(14)
P6_3/mcm (193)
(14)
Pmma (51)
(14)
Fmmm (69)
(13)
I2_13 (199)
(13)
P-42_1c (114)
(13)
P4/ncc (130)
(13)
Ima2 (46)
(12)
Imm2 (44)
(12)
P-6 (174)
(12)
P2_12_12 (18)
(12)
Pmna (53)
(12)
P2 (3)
(11)
P3_221 (154)
(11)
P4_32_12 (96)
(11)
P6_222 (180)
(11)
PbI2
(11)
Pccn (56)
(11)
Pm (6)
(11)
I-43d (220)
(10)
I4mm (107)
(10)
P4/nbm (125)
(10)
BiOF
(9)
Cmme (67)
(9)
Fmm2 (42)
(9)
P-6m2 (187)
(9)
P4_2/m (84)
(9)
P6_322 (182)
(9)
Al2O3
(8)
Ba2CaI6
(8)
Ba2SrI6
(8)
I-4m2 (119)
(8)
NaNbO3
(8)
P-4m2 (115)
(8)
P3_1 (144)
(8)
P4_122 (91)
(8)
P4_2/mcm (132)
(8)
P4_2/ncm (138)
(8)
P4bm (100)
(8)
Pcca (54)
(8)
ZrO2
(8)
Aem2 (39)
(7)
Al(HO)3
(7)
BaSr2I6
(7)
BaTiO3
(7)
Cccm (66)
(7)
I2_12_12_1 (24)
(7)
Iba2 (45)
(7)
Ibca (73)
(7)
LiAgF2
(7)
LiAlSiO4
(7)
P4_132 (213)
(7)
P4_2/mbc (135)
(7)
P4_332 (212)
(7)
SrHfO3
(7)
AlHO2
(6)
AlPO4
(6)
Ccc2 (37)
(6)
CuI
(6)
HfO2
(6)
I23 (197)
(6)
I4_1md (109)
(6)
I4cm (108)
(6)
LiCuS
(6)
Mg(GaO2)2
(6)
P-4b2 (117)
(6)
P31m (157)
(6)
P4_2mc (105)
(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)
I4 (79)
(5)
I422 (97)
(5)
Im-3 (204)
(5)
LiAgF4
(5)
LiNbO3
(5)
Na2Si2O5
(5)
Na3CuO2
(5)
P-42m (111)
(5)
P4_1 (76)
(5)
P4mm (99)
(5)
Pn-3m (224)
(5)
Sr2CaI6
(5)
SrCa2I6
(5)
TeO2
(5)
Y2Si2O7
(5)
Ag2S
(4)
Ba(HO)2
(4)
Ba2Ti6N2O11
(4)
Ba3GeO5
(4)
BaCO3
(4)
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