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Ab-initio phonon calculation for BN / P6_3/mmc (194) / materials id 7991
Description/Abstract:
Ab-initio phonon calculation for BN / P6_3/mmc (194) Phonon band structure, phonon DOS, thermal properties at constant volume, and phonon...
Keyword:
BN
,
P6_3/mmc (194)
, and
Phonon
Resource Type:
Dataset
Data origin:
simulation
Author:
Atsushi Togo
Date Uploaded:
15/05/2023
Ab-initio phonon calculation for HIO3 / P2_12_12_1 (19) / materials id 625917
Description/Abstract:
Ab-initio phonon calculation for HIO3 / P2_12_12_1 (19) Phonon band structure, phonon DOS, thermal properties at constant volume, and pho...
Keyword:
HIO3
,
P2_12_12_1 (19)
, and
Phonon
Resource Type:
Dataset
Data origin:
simulation
Author:
Atsushi Togo
Date Uploaded:
15/05/2023
Ab-initio phonon calculation for BaTiO3 / Pm-3m (221) / materials id 2998
Description/Abstract:
Ab-initio phonon calculation for BaTiO3 / Pm-3m (221) Phonon band structure, phonon DOS, thermal properties at constant volume, and phono...
Keyword:
BaTiO3
,
Phonon
, and
Pm-3m (221)
Resource Type:
Dataset
Data origin:
simulation
Author:
Atsushi Togo
Date Uploaded:
15/05/2023
Ab-initio phonon calculation for Ag2PS3 / P2_1/c (14) / materials id 558469
Description/Abstract:
Ab-initio phonon calculation for Ag2PS3 / P2_1/c (14) Phonon band structure, phonon DOS, thermal properties at constant volume, and phono...
Keyword:
Ag2PS3
,
P2_1/c (14)
, and
Phonon
Resource Type:
Dataset
Data origin:
simulation
Author:
Atsushi Togo
Date Uploaded:
15/05/2023
Ab-initio phonon calculation for Li5SbS4 / Immm (71) / materials id 768197
Description/Abstract:
Ab-initio phonon calculation for Li5SbS4 / Immm (71) Phonon band structure, phonon DOS, thermal properties at constant volume, and phonon...
Keyword:
Immm (71)
,
Li5SbS4
, and
Phonon
Resource Type:
Dataset
Data origin:
simulation
Author:
Atsushi Togo
Date Uploaded:
15/05/2023
Ab-initio phonon calculation for Ca2AsI / R-3m (166) / materials id 28554
Description/Abstract:
Ab-initio phonon calculation for Ca2AsI / R-3m (166) Phonon band structure, phonon DOS, thermal properties at constant volume, and phonon...
Keyword:
Ca2AsI
,
Phonon
, and
R-3m (166)
Resource Type:
Dataset
Data origin:
simulation
Author:
Atsushi Togo
Date Uploaded:
15/05/2023
Ab-initio phonon calculation for Li2Ti4O9 / P-3c1 (165) / materials id 772151
Description/Abstract:
Ab-initio phonon calculation for Li2Ti4O9 / P-3c1 (165) Phonon band structure, phonon DOS, thermal properties at constant volume, and pho...
Keyword:
Li2Ti4O9
,
P-3c1 (165)
, and
Phonon
Resource Type:
Dataset
Data origin:
simulation
Author:
Atsushi Togo
Date Uploaded:
15/05/2023
Ab-initio phonon calculation for Pb2OF2 / P4_2/nmc (137) / materials id 27355
Description/Abstract:
Ab-initio phonon calculation for Pb2OF2 / P4_2/nmc (137) Phonon band structure, phonon DOS, thermal properties at constant volume, and ph...
Keyword:
P4_2/nmc (137)
,
Pb2OF2
, and
Phonon
Resource Type:
Dataset
Data origin:
simulation
Author:
Atsushi Togo
Date Uploaded:
15/05/2023
Ab-initio phonon calculation for Na2SO4 / Pnma (62) / materials id 505274
Description/Abstract:
Ab-initio phonon calculation for Na2SO4 / Pnma (62) Phonon band structure, phonon DOS, thermal properties at constant volume, and phonon ...
Keyword:
Na2SO4
,
Phonon
, and
Pnma (62)
Resource Type:
Dataset
Data origin:
simulation
Author:
Atsushi Togo
Date Uploaded:
15/05/2023
Ab-initio phonon calculation for TlAgI2 / I4/mcm (140) / materials id 27801
Description/Abstract:
Ab-initio phonon calculation for TlAgI2 / I4/mcm (140) Phonon band structure, phonon DOS, thermal properties at constant volume, and phon...
Keyword:
I4/mcm (140)
,
Phonon
, and
TlAgI2
Resource Type:
Dataset
Data origin:
simulation
Author:
Atsushi Togo
Date Uploaded:
15/05/2023
Ab-initio phonon calculation for ZnS / P3m1 (156) / materials id 555079
Description/Abstract:
Ab-initio phonon calculation for ZnS / P3m1 (156) Phonon band structure, phonon DOS, thermal properties at constant volume, and phonon ra...
Keyword:
P3m1 (156)
,
Phonon
, and
ZnS
Resource Type:
Dataset
Data origin:
simulation
Author:
Atsushi Togo
Date Uploaded:
15/05/2023
Ab-initio phonon calculation for CaAl2O4 / P2_1/c (14) / materials id 2963
Description/Abstract:
Ab-initio phonon calculation for CaAl2O4 / P2_1/c (14) Phonon band structure, phonon DOS, thermal properties at constant volume, and phon...
Keyword:
CaAl2O4
,
P2_1/c (14)
, and
Phonon
Resource Type:
Dataset
Data origin:
simulation
Author:
Atsushi Togo
Date Uploaded:
15/05/2023
Ab-initio phonon calculation for K3Lu(PO4)2 / P-3 (147) / materials id 18150
Description/Abstract:
Ab-initio phonon calculation for K3Lu(PO4)2 / P-3 (147) Phonon band structure, phonon DOS, thermal properties at constant volume, and pho...
Keyword:
K3Lu(PO4)2
,
P-3 (147)
, and
Phonon
Resource Type:
Dataset
Data origin:
simulation
Author:
Atsushi Togo
Date Uploaded:
15/05/2023
Ab-initio phonon calculation for Sm2SiTeO4 / P2_1/c (14) / materials id 17812
Description/Abstract:
Ab-initio phonon calculation for Sm2SiTeO4 / P2_1/c (14) Phonon band structure, phonon DOS, thermal properties at constant volume, and ph...
Keyword:
P2_1/c (14)
,
Phonon
, and
Sm2SiTeO4
Resource Type:
Dataset
Data origin:
simulation
Author:
Atsushi Togo
Date Uploaded:
15/05/2023
Ab-initio phonon calculation for ZnS / P3m1 (156) / materials id 554889
Description/Abstract:
Ab-initio phonon calculation for ZnS / P3m1 (156) Phonon band structure, phonon DOS, thermal properties at constant volume, and phonon ra...
Keyword:
P3m1 (156)
,
Phonon
, and
ZnS
Resource Type:
Dataset
Data origin:
simulation
Author:
Atsushi Togo
Date Uploaded:
15/05/2023
Ab-initio phonon calculation for Nb3N5 / Cmcm (63) / materials id 754556
Description/Abstract:
Ab-initio phonon calculation for Nb3N5 / Cmcm (63) Phonon band structure, phonon DOS, thermal properties at constant volume, and phonon r...
Keyword:
Cmcm (63)
,
Nb3N5
, and
Phonon
Resource Type:
Dataset
Data origin:
simulation
Author:
Atsushi Togo
Date Uploaded:
15/05/2023
Ab-initio phonon calculation for BaGaF5 / P2_12_12_1 (19) / materials id 541629
Description/Abstract:
Ab-initio phonon calculation for BaGaF5 / P2_12_12_1 (19) Phonon band structure, phonon DOS, thermal properties at constant volume, and p...
Keyword:
BaGaF5
,
P2_12_12_1 (19)
, and
Phonon
Resource Type:
Dataset
Data origin:
simulation
Author:
Atsushi Togo
Date Uploaded:
15/05/2023
Ab-initio phonon calculation for NaLiTe / Pnma (62) / materials id 8754
Description/Abstract:
Ab-initio phonon calculation for NaLiTe / Pnma (62) Phonon band structure, phonon DOS, thermal properties at constant volume, and phonon ...
Keyword:
NaLiTe
,
Phonon
, and
Pnma (62)
Resource Type:
Dataset
Data origin:
simulation
Author:
Atsushi Togo
Date Uploaded:
15/05/2023
Ab-initio phonon calculation for Li2GeF6 / P4_2/mnm (136) / materials id 7791
Description/Abstract:
Ab-initio phonon calculation for Li2GeF6 / P4_2/mnm (136) Phonon band structure, phonon DOS, thermal properties at constant volume, and p...
Keyword:
Li2GeF6
,
P4_2/mnm (136)
, and
Phonon
Resource Type:
Dataset
Data origin:
simulation
Author:
Atsushi Togo
Date Uploaded:
15/05/2023
Ab-initio phonon calculation for Na3BSbPO7 / P2_1/m (11) / materials id 768556
Description/Abstract:
Ab-initio phonon calculation for Na3BSbPO7 / P2_1/m (11) Phonon band structure, phonon DOS, thermal properties at constant volume, and ph...
Keyword:
Na3BSbPO7
,
P2_1/m (11)
, and
Phonon
Resource Type:
Dataset
Data origin:
simulation
Author:
Atsushi Togo
Date Uploaded:
15/05/2023
Ab-initio phonon calculation for P3Pb5ClO12 / P6_3/m (176) / materials id 504748
Description/Abstract:
Ab-initio phonon calculation for P3Pb5ClO12 / P6_3/m (176) Phonon band structure, phonon DOS, thermal properties at constant volume, and ...
Keyword:
P3Pb5ClO12
,
P6_3/m (176)
, and
Phonon
Resource Type:
Dataset
Data origin:
simulation
Author:
Atsushi Togo
Date Uploaded:
15/05/2023
Ab-initio phonon calculation for Tl4CrI6 / Cccm (66) / materials id 23391
Description/Abstract:
Ab-initio phonon calculation for Tl4CrI6 / Cccm (66) Phonon band structure, phonon DOS, thermal properties at constant volume, and phonon...
Keyword:
Cccm (66)
,
Phonon
, and
Tl4CrI6
Resource Type:
Dataset
Data origin:
simulation
Author:
Atsushi Togo
Date Uploaded:
15/05/2023
Ab-initio phonon calculation for LiGaBr3 / P2_1/m (11) / materials id 28327
Description/Abstract:
Ab-initio phonon calculation for LiGaBr3 / P2_1/m (11) Phonon band structure, phonon DOS, thermal properties at constant volume, and phon...
Keyword:
LiGaBr3
,
P2_1/m (11)
, and
Phonon
Resource Type:
Dataset
Data origin:
simulation
Author:
Atsushi Togo
Date Uploaded:
15/05/2023
Ab-initio phonon calculation for YbClF / P4/nmm (129) / materials id 557483
Description/Abstract:
Ab-initio phonon calculation for YbClF / P4/nmm (129) Phonon band structure, phonon DOS, thermal properties at constant volume, and phono...
Keyword:
P4/nmm (129)
,
Phonon
, and
YbClF
Resource Type:
Dataset
Data origin:
simulation
Author:
Atsushi Togo
Date Uploaded:
15/05/2023
Ab-initio phonon calculation for CaSeO3 / Pnma (62) / materials id 754140
Description/Abstract:
Ab-initio phonon calculation for CaSeO3 / Pnma (62) Phonon band structure, phonon DOS, thermal properties at constant volume, and phonon ...
Keyword:
CaSeO3
,
Phonon
, and
Pnma (62)
Resource Type:
Dataset
Data origin:
simulation
Author:
Atsushi Togo
Date Uploaded:
15/05/2023
Ab-initio phonon calculation for LiCuS / Pnma (62) / materials id 753826
Description/Abstract:
Ab-initio phonon calculation for LiCuS / Pnma (62) Phonon band structure, phonon DOS, thermal properties at constant volume, and phonon r...
Keyword:
LiCuS
,
Phonon
, and
Pnma (62)
Resource Type:
Dataset
Data origin:
simulation
Author:
Atsushi Togo
Date Uploaded:
15/05/2023
Ab-initio phonon calculation for Rb6Sn2S7 / P2_12_12_1 (19) / materials id 29705
Description/Abstract:
Ab-initio phonon calculation for Rb6Sn2S7 / P2_12_12_1 (19) Phonon band structure, phonon DOS, thermal properties at constant volume, and...
Keyword:
P2_12_12_1 (19)
,
Phonon
, and
Rb6Sn2S7
Resource Type:
Dataset
Data origin:
simulation
Author:
Atsushi Togo
Date Uploaded:
15/05/2023
Ab-initio phonon calculation for Dy2SO2 / P-3m1 (164) / materials id 12669
Description/Abstract:
Ab-initio phonon calculation for Dy2SO2 / P-3m1 (164) Phonon band structure, phonon DOS, thermal properties at constant volume, and phono...
Keyword:
Dy2SO2
,
P-3m1 (164)
, and
Phonon
Resource Type:
Dataset
Data origin:
simulation
Author:
Atsushi Togo
Date Uploaded:
15/05/2023
Ab-initio phonon calculation for KRb2ScF6 / I4/m (87) / materials id 9348
Description/Abstract:
Ab-initio phonon calculation for KRb2ScF6 / I4/m (87) Phonon band structure, phonon DOS, thermal properties at constant volume, and phono...
Keyword:
I4/m (87)
,
KRb2ScF6
, and
Phonon
Resource Type:
Dataset
Data origin:
simulation
Author:
Atsushi Togo
Date Uploaded:
15/05/2023
Ab-initio phonon calculation for Ag3P11 / Cm (8) / materials id 27821
Description/Abstract:
Ab-initio phonon calculation for Ag3P11 / Cm (8) Phonon band structure, phonon DOS, thermal properties at constant volume, and phonon raw...
Keyword:
Ag3P11
,
Cm (8)
, and
Phonon
Resource Type:
Dataset
Data origin:
simulation
Author:
Atsushi Togo
Date Uploaded:
15/05/2023
Ab-initio phonon calculation for Rb2AgCl3 / Pnma (62) / materials id 29693
Description/Abstract:
Ab-initio phonon calculation for Rb2AgCl3 / Pnma (62) Phonon band structure, phonon DOS, thermal properties at constant volume, and phono...
Keyword:
Phonon
,
Pnma (62)
, and
Rb2AgCl3
Resource Type:
Dataset
Data origin:
simulation
Author:
Atsushi Togo
Date Uploaded:
15/05/2023
Ab-initio phonon calculation for As2O5 / P4_12_12 (92) / materials id 555434
Description/Abstract:
Ab-initio phonon calculation for As2O5 / P4_12_12 (92) Phonon band structure, phonon DOS, thermal properties at constant volume, and phon...
Keyword:
As2O5
,
P4_12_12 (92)
, and
Phonon
Resource Type:
Dataset
Data origin:
simulation
Author:
Atsushi Togo
Date Uploaded:
15/05/2023
Ab-initio phonon calculation for KGaSb2 / Cmce (64) / materials id 29383
Description/Abstract:
Ab-initio phonon calculation for KGaSb2 / Cmce (64) Phonon band structure, phonon DOS, thermal properties at constant volume, and phonon ...
Keyword:
Cmce (64)
,
KGaSb2
, and
Phonon
Resource Type:
Dataset
Data origin:
simulation
Author:
Atsushi Togo
Date Uploaded:
15/05/2023
Ab-initio phonon calculation for Tb3Al5O12 / Ia-3d (230) / materials id 14387
Description/Abstract:
Ab-initio phonon calculation for Tb3Al5O12 / Ia-3d (230) Phonon band structure, phonon DOS, thermal properties at constant volume, and ph...
Keyword:
Ia-3d (230)
,
Phonon
, and
Tb3Al5O12
Resource Type:
Dataset
Data origin:
simulation
Author:
Atsushi Togo
Date Uploaded:
15/05/2023
Ab-initio phonon calculation for CaPH3O4 / P2_1/c (14) / materials id 24170
Description/Abstract:
Ab-initio phonon calculation for CaPH3O4 / P2_1/c (14) Phonon band structure, phonon DOS, thermal properties at constant volume, and phon...
Keyword:
CaPH3O4
,
P2_1/c (14)
, and
Phonon
Resource Type:
Dataset
Data origin:
simulation
Author:
Atsushi Togo
Date Uploaded:
15/05/2023
Ab-initio phonon calculation for Al2O3 / R-3c (167) / materials id 1143
Description/Abstract:
Ab-initio phonon calculation for Al2O3 / R-3c (167) Phonon band structure, phonon DOS, thermal properties at constant volume, and phonon ...
Keyword:
Al2O3
,
Phonon
, and
R-3c (167)
Resource Type:
Dataset
Data origin:
simulation
Author:
Atsushi Togo
Date Uploaded:
15/05/2023
Ab-initio phonon calculation for RbAlF4 / P4/mmm (123) / materials id 5479
Description/Abstract:
Ab-initio phonon calculation for RbAlF4 / P4/mmm (123) Phonon band structure, phonon DOS, thermal properties at constant volume, and phon...
Keyword:
P4/mmm (123)
,
Phonon
, and
RbAlF4
Resource Type:
Dataset
Data origin:
simulation
Author:
Atsushi Togo
Date Uploaded:
15/05/2023
Ab-initio phonon calculation for Na4SnO3 / Cc (9) / materials id 28261
Description/Abstract:
Ab-initio phonon calculation for Na4SnO3 / Cc (9) Phonon band structure, phonon DOS, thermal properties at constant volume, and phonon ra...
Keyword:
Cc (9)
,
Na4SnO3
, and
Phonon
Resource Type:
Dataset
Data origin:
simulation
Author:
Atsushi Togo
Date Uploaded:
15/05/2023
Ab-initio phonon calculation for CdHg6(As2Br3)2 / Pa-3 (205) / materials id 567910
Description/Abstract:
Ab-initio phonon calculation for CdHg6(As2Br3)2 / Pa-3 (205) Phonon band structure, phonon DOS, thermal properties at constant volume, an...
Keyword:
CdHg6(As2Br3)2
,
Pa-3 (205)
, and
Phonon
Resource Type:
Dataset
Data origin:
simulation
Author:
Atsushi Togo
Date Uploaded:
15/05/2023
Ab-initio phonon calculation for AlInSe3 / P6_1 (169) / materials id 862787
Description/Abstract:
Ab-initio phonon calculation for AlInSe3 / P6_1 (169) Phonon band structure, phonon DOS, thermal properties at constant volume, and phono...
Keyword:
AlInSe3
,
P6_1 (169)
, and
Phonon
Resource Type:
Dataset
Data origin:
simulation
Author:
Atsushi Togo
Date Uploaded:
15/05/2023
Ab-initio phonon calculation for Sr5Al2F16 / Ccce (68) / materials id 29978
Description/Abstract:
Ab-initio phonon calculation for Sr5Al2F16 / Ccce (68) Phonon band structure, phonon DOS, thermal properties at constant volume, and phon...
Keyword:
Ccce (68)
,
Phonon
, and
Sr5Al2F16
Resource Type:
Dataset
Data origin:
simulation
Author:
Atsushi Togo
Date Uploaded:
15/05/2023
Ab-initio phonon calculation for CsLu(NbCl3)6 / P-31c (163) / materials id 570921
Description/Abstract:
Ab-initio phonon calculation for CsLu(NbCl3)6 / P-31c (163) Phonon band structure, phonon DOS, thermal properties at constant volume, and...
Keyword:
CsLu(NbCl3)6
,
P-31c (163)
, and
Phonon
Resource Type:
Dataset
Data origin:
simulation
Author:
Atsushi Togo
Date Uploaded:
15/05/2023
Ab-initio phonon calculation for CaHfO3 / Pnma (62) / materials id 754853
Description/Abstract:
Ab-initio phonon calculation for CaHfO3 / Pnma (62) Phonon band structure, phonon DOS, thermal properties at constant volume, and phonon ...
Keyword:
CaHfO3
,
Phonon
, and
Pnma (62)
Resource Type:
Dataset
Data origin:
simulation
Author:
Atsushi Togo
Date Uploaded:
15/05/2023
Ab-initio phonon calculation for TaAgF6 / P4_2/mcm (132) / materials id 29993
Description/Abstract:
Ab-initio phonon calculation for TaAgF6 / P4_2/mcm (132) Phonon band structure, phonon DOS, thermal properties at constant volume, and ph...
Keyword:
P4_2/mcm (132)
,
Phonon
, and
TaAgF6
Resource Type:
Dataset
Data origin:
simulation
Author:
Atsushi Togo
Date Uploaded:
15/05/2023
Ab-initio phonon calculation for Rb2NaTlF6 / Fm-3m (225) / materials id 989548
Description/Abstract:
Ab-initio phonon calculation for Rb2NaTlF6 / Fm-3m (225) Phonon band structure, phonon DOS, thermal properties at constant volume, and ph...
Keyword:
Fm-3m (225)
,
Phonon
, and
Rb2NaTlF6
Resource Type:
Dataset
Data origin:
simulation
Author:
Atsushi Togo
Date Uploaded:
15/05/2023
Ab-initio phonon calculation for KRb3CdCl6 / R-3c (167) / materials id 570158
Description/Abstract:
Ab-initio phonon calculation for KRb3CdCl6 / R-3c (167) Phonon band structure, phonon DOS, thermal properties at constant volume, and pho...
Keyword:
KRb3CdCl6
,
Phonon
, and
R-3c (167)
Resource Type:
Dataset
Data origin:
simulation
Author:
Atsushi Togo
Date Uploaded:
15/05/2023
Ab-initio phonon calculation for Ba(LaS2)2 / I-42d (122) / materials id 33615
Description/Abstract:
Ab-initio phonon calculation for Ba(LaS2)2 / I-42d (122) Phonon band structure, phonon DOS, thermal properties at constant volume, and ph...
Keyword:
Ba(LaS2)2
,
I-42d (122)
, and
Phonon
Resource Type:
Dataset
Data origin:
simulation
Author:
Atsushi Togo
Date Uploaded:
15/05/2023
Ab-initio phonon calculation for KAl(SO4)2 / P-3m1 (164) / materials id 7645
Description/Abstract:
Ab-initio phonon calculation for KAl(SO4)2 / P-3m1 (164) Phonon band structure, phonon DOS, thermal properties at constant volume, and ph...
Keyword:
KAl(SO4)2
,
P-3m1 (164)
, and
Phonon
Resource Type:
Dataset
Data origin:
simulation
Author:
Atsushi Togo
Date Uploaded:
15/05/2023
Ab-initio phonon calculation for Na3HoCl6 / P2_1/c (14) / materials id 29836
Description/Abstract:
Ab-initio phonon calculation for Na3HoCl6 / P2_1/c (14) Phonon band structure, phonon DOS, thermal properties at constant volume, and pho...
Keyword:
Na3HoCl6
,
P2_1/c (14)
, and
Phonon
Resource Type:
Dataset
Data origin:
simulation
Author:
Atsushi Togo
Date Uploaded:
15/05/2023
Ab-initio phonon calculation for Ba2Cu2O5 / Pna2_1 (33) / materials id 772788
Description/Abstract:
Ab-initio phonon calculation for Ba2Cu2O5 / Pna2_1 (33) Phonon band structure, phonon DOS, thermal properties at constant volume, and pho...
Keyword:
Ba2Cu2O5
,
Phonon
, and
Pna2_1 (33)
Resource Type:
Dataset
Data origin:
simulation
Author:
Atsushi Togo
Date Uploaded:
15/05/2023
Ab-initio phonon calculation for Rb3PS4 / Pnma (62) / materials id 16863
Description/Abstract:
Ab-initio phonon calculation for Rb3PS4 / Pnma (62) Phonon band structure, phonon DOS, thermal properties at constant volume, and phonon ...
Keyword:
Phonon
,
Pnma (62)
, and
Rb3PS4
Resource Type:
Dataset
Data origin:
simulation
Author:
Atsushi Togo
Date Uploaded:
15/05/2023
Ab-initio phonon calculation for ErTlSe2 / R-3m (166) / materials id 570117
Description/Abstract:
Ab-initio phonon calculation for ErTlSe2 / R-3m (166) Phonon band structure, phonon DOS, thermal properties at constant volume, and phono...
Keyword:
ErTlSe2
,
Phonon
, and
R-3m (166)
Resource Type:
Dataset
Data origin:
simulation
Author:
Atsushi Togo
Date Uploaded:
15/05/2023
Ab-initio phonon calculation for GaHO2 / Pnma (62) / materials id 634326
Description/Abstract:
Ab-initio phonon calculation for GaHO2 / Pnma (62) Phonon band structure, phonon DOS, thermal properties at constant volume, and phonon r...
Keyword:
GaHO2
,
Phonon
, and
Pnma (62)
Resource Type:
Dataset
Data origin:
simulation
Author:
Atsushi Togo
Date Uploaded:
15/05/2023
Ab-initio phonon calculation for Na2TiO3 / C2/c (15) / materials id 752423
Description/Abstract:
Ab-initio phonon calculation for Na2TiO3 / C2/c (15) Phonon band structure, phonon DOS, thermal properties at constant volume, and phonon...
Keyword:
C2/c (15)
,
Na2TiO3
, and
Phonon
Resource Type:
Dataset
Data origin:
simulation
Author:
Atsushi Togo
Date Uploaded:
15/05/2023
Ab-initio phonon calculation for SrTi4(PO4)6 / R-3 (148) / materials id 17298
Description/Abstract:
Ab-initio phonon calculation for SrTi4(PO4)6 / R-3 (148) Phonon band structure, phonon DOS, thermal properties at constant volume, and ph...
Keyword:
Phonon
,
R-3 (148)
, and
SrTi4(PO4)6
Resource Type:
Dataset
Data origin:
simulation
Author:
Atsushi Togo
Date Uploaded:
15/05/2023
Ab-initio phonon calculation for CaWN3 / C2/m (12) / materials id 989616
Description/Abstract:
Ab-initio phonon calculation for CaWN3 / C2/m (12) Phonon band structure, phonon DOS, thermal properties at constant volume, and phonon r...
Keyword:
C2/m (12)
,
CaWN3
, and
Phonon
Resource Type:
Dataset
Data origin:
simulation
Author:
Atsushi Togo
Date Uploaded:
15/05/2023
Ab-initio phonon calculation for ZnS / P3m1 (156) / materials id 556392
Description/Abstract:
Ab-initio phonon calculation for ZnS / P3m1 (156) Phonon band structure, phonon DOS, thermal properties at constant volume, and phonon ra...
Keyword:
P3m1 (156)
,
Phonon
, and
ZnS
Resource Type:
Dataset
Data origin:
simulation
Author:
Atsushi Togo
Date Uploaded:
15/05/2023
Ab-initio phonon calculation for Sr2CuBrO2 / R-3m (166) / materials id 552537
Description/Abstract:
Ab-initio phonon calculation for Sr2CuBrO2 / R-3m (166) Phonon band structure, phonon DOS, thermal properties at constant volume, and pho...
Keyword:
Phonon
,
R-3m (166)
, and
Sr2CuBrO2
Resource Type:
Dataset
Data origin:
simulation
Author:
Atsushi Togo
Date Uploaded:
15/05/2023
Ab-initio phonon calculation for YbBr2 / Pbcn (60) / materials id 571232
Description/Abstract:
Ab-initio phonon calculation for YbBr2 / Pbcn (60) Phonon band structure, phonon DOS, thermal properties at constant volume, and phonon r...
Keyword:
Pbcn (60)
,
Phonon
, and
YbBr2
Resource Type:
Dataset
Data origin:
simulation
Author:
Atsushi Togo
Date Uploaded:
15/05/2023
Ab-initio phonon calculation for NaNd(Si3O7)2 / Ibam (72) / materials id 560226
Description/Abstract:
Ab-initio phonon calculation for NaNd(Si3O7)2 / Ibam (72) Phonon band structure, phonon DOS, thermal properties at constant volume, and p...
Keyword:
Ibam (72)
,
NaNd(Si3O7)2
, and
Phonon
Resource Type:
Dataset
Data origin:
simulation
Author:
Atsushi Togo
Date Uploaded:
15/05/2023
Ab-initio phonon calculation for Ba7Na3Ti7Nb3O30 / Pm (6) / materials id 695409
Description/Abstract:
Ab-initio phonon calculation for Ba7Na3Ti7Nb3O30 / Pm (6) Phonon band structure, phonon DOS, thermal properties at constant volume, and p...
Keyword:
Ba7Na3Ti7Nb3O30
,
Phonon
, and
Pm (6)
Resource Type:
Dataset
Data origin:
simulation
Author:
Atsushi Togo
Date Uploaded:
15/05/2023
Ab-initio phonon calculation for Ca2BHN2 / Pnma (62) / materials id 24266
Description/Abstract:
Ab-initio phonon calculation for Ca2BHN2 / Pnma (62) Phonon band structure, phonon DOS, thermal properties at constant volume, and phonon...
Keyword:
Ca2BHN2
,
Phonon
, and
Pnma (62)
Resource Type:
Dataset
Data origin:
simulation
Author:
Atsushi Togo
Date Uploaded:
15/05/2023
Ab-initio phonon calculation for K2Si4O9 / P6_3/m (176) / materials id 8380
Description/Abstract:
Ab-initio phonon calculation for K2Si4O9 / P6_3/m (176) Phonon band structure, phonon DOS, thermal properties at constant volume, and pho...
Keyword:
K2Si4O9
,
P6_3/m (176)
, and
Phonon
Resource Type:
Dataset
Data origin:
simulation
Author:
Atsushi Togo
Date Uploaded:
15/05/2023
Ab-initio phonon calculation for Na2Sb4O11 / R-3c (167) / materials id 780683
Description/Abstract:
Ab-initio phonon calculation for Na2Sb4O11 / R-3c (167) Phonon band structure, phonon DOS, thermal properties at constant volume, and pho...
Keyword:
Na2Sb4O11
,
Phonon
, and
R-3c (167)
Resource Type:
Dataset
Data origin:
simulation
Author:
Atsushi Togo
Date Uploaded:
15/05/2023
Ab-initio phonon calculation for NaW6NCl18 / P6_3/m (176) / materials id 569050
Description/Abstract:
Ab-initio phonon calculation for NaW6NCl18 / P6_3/m (176) Phonon band structure, phonon DOS, thermal properties at constant volume, and p...
Keyword:
NaW6NCl18
,
P6_3/m (176)
, and
Phonon
Resource Type:
Dataset
Data origin:
simulation
Author:
Atsushi Togo
Date Uploaded:
15/05/2023
Ab-initio phonon calculation for LuTa7O19 / P-6c2 (188) / materials id 780049
Description/Abstract:
Ab-initio phonon calculation for LuTa7O19 / P-6c2 (188) Phonon band structure, phonon DOS, thermal properties at constant volume, and pho...
Keyword:
LuTa7O19
,
P-6c2 (188)
, and
Phonon
Resource Type:
Dataset
Data origin:
simulation
Author:
Atsushi Togo
Date Uploaded:
15/05/2023
Ab-initio phonon calculation for Ba2TaBiO6 / R-3 (148) / materials id 23092
Description/Abstract:
Ab-initio phonon calculation for Ba2TaBiO6 / R-3 (148) Phonon band structure, phonon DOS, thermal properties at constant volume, and phon...
Keyword:
Ba2TaBiO6
,
Phonon
, and
R-3 (148)
Resource Type:
Dataset
Data origin:
simulation
Author:
Atsushi Togo
Date Uploaded:
15/05/2023
Ab-initio phonon calculation for Tl3PbBr5 / P4_1 (76) / materials id 570753
Description/Abstract:
Ab-initio phonon calculation for Tl3PbBr5 / P4_1 (76) Phonon band structure, phonon DOS, thermal properties at constant volume, and phono...
Keyword:
P4_1 (76)
,
Phonon
, and
Tl3PbBr5
Resource Type:
Dataset
Data origin:
simulation
Author:
Atsushi Togo
Date Uploaded:
15/05/2023
Ab-initio phonon calculation for ZnBi2B2O7 / Pba2 (32) / materials id 555880
Description/Abstract:
Ab-initio phonon calculation for ZnBi2B2O7 / Pba2 (32) Phonon band structure, phonon DOS, thermal properties at constant volume, and phon...
Keyword:
Pba2 (32)
,
Phonon
, and
ZnBi2B2O7
Resource Type:
Dataset
Data origin:
simulation
Author:
Atsushi Togo
Date Uploaded:
15/05/2023
Ab-initio phonon calculation for LuSeClO3 / Pnma (62) / materials id 23096
Description/Abstract:
Ab-initio phonon calculation for LuSeClO3 / Pnma (62) Phonon band structure, phonon DOS, thermal properties at constant volume, and phono...
Keyword:
LuSeClO3
,
Phonon
, and
Pnma (62)
Resource Type:
Dataset
Data origin:
simulation
Author:
Atsushi Togo
Date Uploaded:
15/05/2023
Ab-initio phonon calculation for Li4GeO4 / Cmcm (63) / materials id 4558
Description/Abstract:
Ab-initio phonon calculation for Li4GeO4 / Cmcm (63) Phonon band structure, phonon DOS, thermal properties at constant volume, and phonon...
Keyword:
Cmcm (63)
,
Li4GeO4
, and
Phonon
Resource Type:
Dataset
Data origin:
simulation
Author:
Atsushi Togo
Date Uploaded:
15/05/2023
Ab-initio phonon calculation for K2Hg3(GeS4)2 / C2 (5) / materials id 11131
Description/Abstract:
Ab-initio phonon calculation for K2Hg3(GeS4)2 / C2 (5) Phonon band structure, phonon DOS, thermal properties at constant volume, and phon...
Keyword:
C2 (5)
,
K2Hg3(GeS4)2
, and
Phonon
Resource Type:
Dataset
Data origin:
simulation
Author:
Atsushi Togo
Date Uploaded:
15/05/2023
Ab-initio phonon calculation for Rb2Pd(IBr2)2 / I4/mmm (139) / materials id 567948
Description/Abstract:
Ab-initio phonon calculation for Rb2Pd(IBr2)2 / I4/mmm (139) Phonon band structure, phonon DOS, thermal properties at constant volume, an...
Keyword:
I4/mmm (139)
,
Phonon
, and
Rb2Pd(IBr2)2
Resource Type:
Dataset
Data origin:
simulation
Author:
Atsushi Togo
Date Uploaded:
15/05/2023
Ab-initio phonon calculation for RbZnPO4 / P2_1 (4) / materials id 18463
Description/Abstract:
Ab-initio phonon calculation for RbZnPO4 / P2_1 (4) Phonon band structure, phonon DOS, thermal properties at constant volume, and phonon ...
Keyword:
P2_1 (4)
,
Phonon
, and
RbZnPO4
Resource Type:
Dataset
Data origin:
simulation
Author:
Atsushi Togo
Date Uploaded:
15/05/2023
Ab-initio phonon calculation for TlSbSe2 / P2_1/m (11) / materials id 567318
Description/Abstract:
Ab-initio phonon calculation for TlSbSe2 / P2_1/m (11) Phonon band structure, phonon DOS, thermal properties at constant volume, and phon...
Keyword:
P2_1/m (11)
,
Phonon
, and
TlSbSe2
Resource Type:
Dataset
Data origin:
simulation
Author:
Atsushi Togo
Date Uploaded:
15/05/2023
Ab-initio phonon calculation for Na8Ga2O7 / P2_1/c (14) / materials id 27618
Description/Abstract:
Ab-initio phonon calculation for Na8Ga2O7 / P2_1/c (14) Phonon band structure, phonon DOS, thermal properties at constant volume, and pho...
Keyword:
Na8Ga2O7
,
P2_1/c (14)
, and
Phonon
Resource Type:
Dataset
Data origin:
simulation
Author:
Atsushi Togo
Date Uploaded:
15/05/2023
Ab-initio phonon calculation for La3CuSnS7 / P6_3 (173) / materials id 510566
Description/Abstract:
Ab-initio phonon calculation for La3CuSnS7 / P6_3 (173) Phonon band structure, phonon DOS, thermal properties at constant volume, and pho...
Keyword:
La3CuSnS7
,
P6_3 (173)
, and
Phonon
Resource Type:
Dataset
Data origin:
simulation
Author:
Atsushi Togo
Date Uploaded:
15/05/2023
Ab-initio phonon calculation for PdS2 / Pbca (61) / materials id 13682
Description/Abstract:
Ab-initio phonon calculation for PdS2 / Pbca (61) Phonon band structure, phonon DOS, thermal properties at constant volume, and phonon ra...
Keyword:
Pbca (61)
,
PdS2
, and
Phonon
Resource Type:
Dataset
Data origin:
simulation
Author:
Atsushi Togo
Date Uploaded:
15/05/2023
Ab-initio phonon calculation for CdI2 / P3m1 (156) / materials id 571668
Description/Abstract:
Ab-initio phonon calculation for CdI2 / P3m1 (156) Phonon band structure, phonon DOS, thermal properties at constant volume, and phonon r...
Keyword:
CdI2
,
P3m1 (156)
, and
Phonon
Resource Type:
Dataset
Data origin:
simulation
Author:
Atsushi Togo
Date Uploaded:
15/05/2023
Ab-initio phonon calculation for MgSiN2 / Pna2_1 (33) / materials id 3677
Description/Abstract:
Ab-initio phonon calculation for MgSiN2 / Pna2_1 (33) Phonon band structure, phonon DOS, thermal properties at constant volume, and phono...
Keyword:
MgSiN2
,
Phonon
, and
Pna2_1 (33)
Resource Type:
Dataset
Data origin:
simulation
Author:
Atsushi Togo
Date Uploaded:
15/05/2023
Ab-initio phonon calculation for ZnCN2 / I-42d (122) / materials id 29826
Description/Abstract:
Ab-initio phonon calculation for ZnCN2 / I-42d (122) Phonon band structure, phonon DOS, thermal properties at constant volume, and phonon...
Keyword:
I-42d (122)
,
Phonon
, and
ZnCN2
Resource Type:
Dataset
Data origin:
simulation
Author:
Atsushi Togo
Date Uploaded:
15/05/2023
Ab-initio phonon calculation for Er2SeO2 / P-3m1 (164) / materials id 13975
Description/Abstract:
Ab-initio phonon calculation for Er2SeO2 / P-3m1 (164) Phonon band structure, phonon DOS, thermal properties at constant volume, and phon...
Keyword:
Er2SeO2
,
P-3m1 (164)
, and
Phonon
Resource Type:
Dataset
Data origin:
simulation
Author:
Atsushi Togo
Date Uploaded:
15/05/2023
Ab-initio phonon calculation for Rb3Er3(PS4)4 / P2_1/c (14) / materials id 583084
Description/Abstract:
Ab-initio phonon calculation for Rb3Er3(PS4)4 / P2_1/c (14) Phonon band structure, phonon DOS, thermal properties at constant volume, and...
Keyword:
P2_1/c (14)
,
Phonon
, and
Rb3Er3(PS4)4
Resource Type:
Dataset
Data origin:
simulation
Author:
Atsushi Togo
Date Uploaded:
15/05/2023
Ab-initio phonon calculation for RhCl3 / C2/m (12) / materials id 27770
Description/Abstract:
Ab-initio phonon calculation for RhCl3 / C2/m (12) Phonon band structure, phonon DOS, thermal properties at constant volume, and phonon r...
Keyword:
C2/m (12)
,
Phonon
, and
RhCl3
Resource Type:
Dataset
Data origin:
simulation
Author:
Atsushi Togo
Date Uploaded:
15/05/2023
Ab-initio phonon calculation for Dy2TeO2 / I4/mmm (139) / materials id 16037
Description/Abstract:
Ab-initio phonon calculation for Dy2TeO2 / I4/mmm (139) Phonon band structure, phonon DOS, thermal properties at constant volume, and pho...
Keyword:
Dy2TeO2
,
I4/mmm (139)
, and
Phonon
Resource Type:
Dataset
Data origin:
simulation
Author:
Atsushi Togo
Date Uploaded:
15/05/2023
Ab-initio phonon calculation for Mg2SiO4 / Pnma (62) / materials id 2895
Description/Abstract:
Ab-initio phonon calculation for Mg2SiO4 / Pnma (62) Phonon band structure, phonon DOS, thermal properties at constant volume, and phonon...
Keyword:
Mg2SiO4
,
Phonon
, and
Pnma (62)
Resource Type:
Dataset
Data origin:
simulation
Author:
Atsushi Togo
Date Uploaded:
15/05/2023
Ab-initio phonon calculation for CsLuCdTe3 / Cmcm (63) / materials id 12492
Description/Abstract:
Ab-initio phonon calculation for CsLuCdTe3 / Cmcm (63) Phonon band structure, phonon DOS, thermal properties at constant volume, and phon...
Keyword:
Cmcm (63)
,
CsLuCdTe3
, and
Phonon
Resource Type:
Dataset
Data origin:
simulation
Author:
Atsushi Togo
Date Uploaded:
15/05/2023
Ab-initio phonon calculation for Ba8P5Br / I-4 (82) / materials id 34034
Description/Abstract:
Ab-initio phonon calculation for Ba8P5Br / I-4 (82) Phonon band structure, phonon DOS, thermal properties at constant volume, and phonon ...
Keyword:
Ba8P5Br
,
I-4 (82)
, and
Phonon
Resource Type:
Dataset
Data origin:
simulation
Author:
Atsushi Togo
Date Uploaded:
15/05/2023
Ab-initio phonon calculation for RbHo2Cu3S5 / Cmcm (63) / materials id 17929
Description/Abstract:
Ab-initio phonon calculation for RbHo2Cu3S5 / Cmcm (63) Phonon band structure, phonon DOS, thermal properties at constant volume, and pho...
Keyword:
Cmcm (63)
,
Phonon
, and
RbHo2Cu3S5
Resource Type:
Dataset
Data origin:
simulation
Author:
Atsushi Togo
Date Uploaded:
15/05/2023
Ab-initio phonon calculation for Na2BeO2 / P2_1/c (14) / materials id 28588
Description/Abstract:
Ab-initio phonon calculation for Na2BeO2 / P2_1/c (14) Phonon band structure, phonon DOS, thermal properties at constant volume, and phon...
Keyword:
Na2BeO2
,
P2_1/c (14)
, and
Phonon
Resource Type:
Dataset
Data origin:
simulation
Author:
Atsushi Togo
Date Uploaded:
15/05/2023
Ab-initio phonon calculation for Cs2ZrF6 / P-3m1 (164) / materials id 7903
Description/Abstract:
Ab-initio phonon calculation for Cs2ZrF6 / P-3m1 (164) Phonon band structure, phonon DOS, thermal properties at constant volume, and phon...
Keyword:
Cs2ZrF6
,
P-3m1 (164)
, and
Phonon
Resource Type:
Dataset
Data origin:
simulation
Author:
Atsushi Togo
Date Uploaded:
15/05/2023
Ab-initio phonon calculation for Ca2Ge7O16 / P-4b2 (117) / materials id 29273
Description/Abstract:
Ab-initio phonon calculation for Ca2Ge7O16 / P-4b2 (117) Phonon band structure, phonon DOS, thermal properties at constant volume, and ph...
Keyword:
Ca2Ge7O16
,
P-4b2 (117)
, and
Phonon
Resource Type:
Dataset
Data origin:
simulation
Author:
Atsushi Togo
Date Uploaded:
15/05/2023
Ab-initio phonon calculation for Li2BeSiO4 / C222_1 (20) / materials id 554159
Description/Abstract:
Ab-initio phonon calculation for Li2BeSiO4 / C222_1 (20) Phonon band structure, phonon DOS, thermal properties at constant volume, and ph...
Keyword:
C222_1 (20)
,
Li2BeSiO4
, and
Phonon
Resource Type:
Dataset
Data origin:
simulation
Author:
Atsushi Togo
Date Uploaded:
15/05/2023
Ab-initio phonon calculation for Sr3Er2(BO3)4 / Pna2_1 (33) / materials id 13960
Description/Abstract:
Ab-initio phonon calculation for Sr3Er2(BO3)4 / Pna2_1 (33) Phonon band structure, phonon DOS, thermal properties at constant volume, and...
Keyword:
Phonon
,
Pna2_1 (33)
, and
Sr3Er2(BO3)4
Resource Type:
Dataset
Data origin:
simulation
Author:
Atsushi Togo
Date Uploaded:
15/05/2023
Ab-initio phonon calculation for Ca4Mg4Fe3H22 / P-43m (215) / materials id 644264
Description/Abstract:
Ab-initio phonon calculation for Ca4Mg4Fe3H22 / P-43m (215) Phonon band structure, phonon DOS, thermal properties at constant volume, and...
Keyword:
Ca4Mg4Fe3H22
,
P-43m (215)
, and
Phonon
Resource Type:
Dataset
Data origin:
simulation
Author:
Atsushi Togo
Date Uploaded:
15/05/2023
Ab-initio phonon calculation for Er3Sb5O12 / I-43m (217) / materials id 772087
Description/Abstract:
Ab-initio phonon calculation for Er3Sb5O12 / I-43m (217) Phonon band structure, phonon DOS, thermal properties at constant volume, and ph...
Keyword:
Er3Sb5O12
,
I-43m (217)
, and
Phonon
Resource Type:
Dataset
Data origin:
simulation
Author:
Atsushi Togo
Date Uploaded:
15/05/2023
Ab-initio phonon calculation for Sm3NbO7 / C222_1 (20) / materials id 756591
Description/Abstract:
Ab-initio phonon calculation for Sm3NbO7 / C222_1 (20) Phonon band structure, phonon DOS, thermal properties at constant volume, and phon...
Keyword:
C222_1 (20)
,
Phonon
, and
Sm3NbO7
Resource Type:
Dataset
Data origin:
simulation
Author:
Atsushi Togo
Date Uploaded:
15/05/2023
Ab-initio phonon calculation for NaAuSe2 / P2_1/c (14) / materials id 29139
Description/Abstract:
Ab-initio phonon calculation for NaAuSe2 / P2_1/c (14) Phonon band structure, phonon DOS, thermal properties at constant volume, and phon...
Keyword:
NaAuSe2
,
P2_1/c (14)
, and
Phonon
Resource Type:
Dataset
Data origin:
simulation
Author:
Atsushi Togo
Date Uploaded:
15/05/2023
Ab-initio phonon calculation for Rb5Nb3OF18 / I4cm (108) / materials id 540995
Description/Abstract:
Ab-initio phonon calculation for Rb5Nb3OF18 / I4cm (108) Phonon band structure, phonon DOS, thermal properties at constant volume, and ph...
Keyword:
I4cm (108)
,
Phonon
, and
Rb5Nb3OF18
Resource Type:
Dataset
Data origin:
simulation
Author:
Atsushi Togo
Date Uploaded:
15/05/2023
Ab-initio phonon calculation for Ta2O5 / Cm (8) / materials id 780772
Description/Abstract:
Ab-initio phonon calculation for Ta2O5 / Cm (8) Phonon band structure, phonon DOS, thermal properties at constant volume, and phonon raw ...
Keyword:
Cm (8)
,
Phonon
, and
Ta2O5
Resource Type:
Dataset
Data origin:
simulation
Author:
Atsushi Togo
Date Uploaded:
15/05/2023
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