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Ab-initio phonon calculation for RbClO4 / Pnma (62) / materials id 28433
Description/Abstract:
Ab-initio phonon calculation for RbClO4 / Pnma (62) Phonon band structure, phonon DOS, thermal properties at constant volume, and phonon ...
Keyword:
Phonon
,
Pnma (62)
, and
RbClO4
Resource Type:
Dataset
Data origin:
simulation
Author:
Atsushi Togo
Date Uploaded:
15/05/2023
Ab-initio phonon calculation for ZnO / F-43m (216) / materials id 1986
Description/Abstract:
Ab-initio phonon calculation for ZnO / F-43m (216) Phonon band structure, phonon DOS, thermal properties at constant volume, and phonon r...
Keyword:
F-43m (216)
,
Phonon
, and
ZnO
Resource Type:
Dataset
Data origin:
simulation
Author:
Atsushi Togo
Date Uploaded:
15/05/2023
Ab-initio phonon calculation for Zn2(PS3)3 / C2/m (12) / materials id 27656
Description/Abstract:
Ab-initio phonon calculation for Zn2(PS3)3 / C2/m (12) Phonon band structure, phonon DOS, thermal properties at constant volume, and phon...
Keyword:
C2/m (12)
,
Phonon
, and
Zn2(PS3)3
Resource Type:
Dataset
Data origin:
simulation
Author:
Atsushi Togo
Date Uploaded:
15/05/2023
Ab-initio phonon calculation for Ho2CdS4 / Fd-3m (227) / materials id 6942
Description/Abstract:
Ab-initio phonon calculation for Ho2CdS4 / Fd-3m (227) Phonon band structure, phonon DOS, thermal properties at constant volume, and phon...
Keyword:
Fd-3m (227)
,
Ho2CdS4
, and
Phonon
Resource Type:
Dataset
Data origin:
simulation
Author:
Atsushi Togo
Date Uploaded:
15/05/2023
Ab-initio phonon calculation for Pr2Sn2O7 / Fd-3m (227) / materials id 4394
Description/Abstract:
Ab-initio phonon calculation for Pr2Sn2O7 / Fd-3m (227) Phonon band structure, phonon DOS, thermal properties at constant volume, and pho...
Keyword:
Fd-3m (227)
,
Phonon
, and
Pr2Sn2O7
Resource Type:
Dataset
Data origin:
simulation
Author:
Atsushi Togo
Date Uploaded:
15/05/2023
Ab-initio phonon calculation for Mg(SiB6)2 / Pnma (62) / materials id 567224
Description/Abstract:
Ab-initio phonon calculation for Mg(SiB6)2 / Pnma (62) Phonon band structure, phonon DOS, thermal properties at constant volume, and phon...
Keyword:
Mg(SiB6)2
,
Phonon
, and
Pnma (62)
Resource Type:
Dataset
Data origin:
simulation
Author:
Atsushi Togo
Date Uploaded:
15/05/2023
Ab-initio phonon calculation for Li2NbOF5 / P3_1 (144) / materials id 756639
Description/Abstract:
Ab-initio phonon calculation for Li2NbOF5 / P3_1 (144) Phonon band structure, phonon DOS, thermal properties at constant volume, and phon...
Keyword:
Li2NbOF5
,
P3_1 (144)
, and
Phonon
Resource Type:
Dataset
Data origin:
simulation
Author:
Atsushi Togo
Date Uploaded:
15/05/2023
Ab-initio phonon calculation for SiO2 / P6_3/mmc (194) / materials id 559928
Description/Abstract:
Ab-initio phonon calculation for SiO2 / P6_3/mmc (194) Phonon band structure, phonon DOS, thermal properties at constant volume, and phon...
Keyword:
P6_3/mmc (194)
,
Phonon
, and
SiO2
Resource Type:
Dataset
Data origin:
simulation
Author:
Atsushi Togo
Date Uploaded:
15/05/2023
Ab-initio phonon calculation for AlSiTe3 / P-31m (162) / materials id 31220
Description/Abstract:
Ab-initio phonon calculation for AlSiTe3 / P-31m (162) Phonon band structure, phonon DOS, thermal properties at constant volume, and phon...
Keyword:
AlSiTe3
,
P-31m (162)
, and
Phonon
Resource Type:
Dataset
Data origin:
simulation
Author:
Atsushi Togo
Date Uploaded:
15/05/2023
Ab-initio phonon calculation for LiDySe2 / R-3m (166) / materials id 15795
Description/Abstract:
Ab-initio phonon calculation for LiDySe2 / R-3m (166) Phonon band structure, phonon DOS, thermal properties at constant volume, and phono...
Keyword:
LiDySe2
,
Phonon
, and
R-3m (166)
Resource Type:
Dataset
Data origin:
simulation
Author:
Atsushi Togo
Date Uploaded:
15/05/2023
Ab-initio phonon calculation for LiNd(PO3)4 / C2/c (15) / materials id 18711
Description/Abstract:
Ab-initio phonon calculation for LiNd(PO3)4 / C2/c (15) Phonon band structure, phonon DOS, thermal properties at constant volume, and pho...
Keyword:
C2/c (15)
,
LiNd(PO3)4
, and
Phonon
Resource Type:
Dataset
Data origin:
simulation
Author:
Atsushi Togo
Date Uploaded:
15/05/2023
Ab-initio phonon calculation for SrSbF5 / Pbcm (57) / materials id 16903
Description/Abstract:
Ab-initio phonon calculation for SrSbF5 / Pbcm (57) Phonon band structure, phonon DOS, thermal properties at constant volume, and phonon ...
Keyword:
Pbcm (57)
,
Phonon
, and
SrSbF5
Resource Type:
Dataset
Data origin:
simulation
Author:
Atsushi Togo
Date Uploaded:
15/05/2023
Ab-initio phonon calculation for CdI2 / P3m1 (156) / materials id 569964
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 Ba9La3Mg5Nb7O36 / Pmm2 (25) / materials id 695214
Description/Abstract:
Ab-initio phonon calculation for Ba9La3Mg5Nb7O36 / Pmm2 (25) Phonon band structure, phonon DOS, thermal properties at constant volume, an...
Keyword:
Ba9La3Mg5Nb7O36
,
Phonon
, and
Pmm2 (25)
Resource Type:
Dataset
Data origin:
simulation
Author:
Atsushi Togo
Date Uploaded:
15/05/2023
Ab-initio phonon calculation for Na2PdC2 / P-3m1 (164) / materials id 4823
Description/Abstract:
Ab-initio phonon calculation for Na2PdC2 / P-3m1 (164) Phonon band structure, phonon DOS, thermal properties at constant volume, and phon...
Keyword:
Na2PdC2
,
P-3m1 (164)
, and
Phonon
Resource Type:
Dataset
Data origin:
simulation
Author:
Atsushi Togo
Date Uploaded:
15/05/2023
Ab-initio phonon calculation for KAlO2 / P4_12_12 (92) / materials id 12807
Description/Abstract:
Ab-initio phonon calculation for KAlO2 / P4_12_12 (92) Phonon band structure, phonon DOS, thermal properties at constant volume, and phon...
Keyword:
KAlO2
,
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 Tm2Sb2O7 / P3_121 (152) / materials id 777990
Description/Abstract:
Ab-initio phonon calculation for Tm2Sb2O7 / P3_121 (152) Phonon band structure, phonon DOS, thermal properties at constant volume, and ph...
Keyword:
P3_121 (152)
,
Phonon
, and
Tm2Sb2O7
Resource Type:
Dataset
Data origin:
simulation
Author:
Atsushi Togo
Date Uploaded:
15/05/2023
Ab-initio phonon calculation for RbI / Pm-3m (221) / materials id 23302
Description/Abstract:
Ab-initio phonon calculation for RbI / Pm-3m (221) Phonon band structure, phonon DOS, thermal properties at constant volume, and phonon r...
Keyword:
Phonon
,
Pm-3m (221)
, and
RbI
Resource Type:
Dataset
Data origin:
simulation
Author:
Atsushi Togo
Date Uploaded:
15/05/2023
Ab-initio phonon calculation for TiCdO3 / Pmc2_1 (26) / materials id 20940
Description/Abstract:
Ab-initio phonon calculation for TiCdO3 / Pmc2_1 (26) Phonon band structure, phonon DOS, thermal properties at constant volume, and phono...
Keyword:
Phonon
,
Pmc2_1 (26)
, and
TiCdO3
Resource Type:
Dataset
Data origin:
simulation
Author:
Atsushi Togo
Date Uploaded:
15/05/2023
Ab-initio phonon calculation for Rb2ZnO2 / P2_1/c (14) / materials id 555977
Description/Abstract:
Ab-initio phonon calculation for Rb2ZnO2 / P2_1/c (14) Phonon band structure, phonon DOS, thermal properties at constant volume, and phon...
Keyword:
P2_1/c (14)
,
Phonon
, and
Rb2ZnO2
Resource Type:
Dataset
Data origin:
simulation
Author:
Atsushi Togo
Date Uploaded:
15/05/2023
Ab-initio phonon calculation for P2Pd3S8 / P-3m1 (164) / materials id 3006
Description/Abstract:
Ab-initio phonon calculation for P2Pd3S8 / P-3m1 (164) Phonon band structure, phonon DOS, thermal properties at constant volume, and phon...
Keyword:
P-3m1 (164)
,
P2Pd3S8
, and
Phonon
Resource Type:
Dataset
Data origin:
simulation
Author:
Atsushi Togo
Date Uploaded:
15/05/2023
Ab-initio phonon calculation for HfZrO4 / P2_1/c (14) / materials id 754134
Description/Abstract:
Ab-initio phonon calculation for HfZrO4 / P2_1/c (14) Phonon band structure, phonon DOS, thermal properties at constant volume, and phono...
Keyword:
HfZrO4
,
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 La2Se2O / Pnma (62) / materials id 752418
Description/Abstract:
Ab-initio phonon calculation for La2Se2O / Pnma (62) Phonon band structure, phonon DOS, thermal properties at constant volume, and phonon...
Keyword:
La2Se2O
,
Phonon
, and
Pnma (62)
Resource Type:
Dataset
Data origin:
simulation
Author:
Atsushi Togo
Date Uploaded:
15/05/2023
Ab-initio phonon calculation for Na3Li4Th6F31 / P3c1 (158) / materials id 558769
Description/Abstract:
Ab-initio phonon calculation for Na3Li4Th6F31 / P3c1 (158) Phonon band structure, phonon DOS, thermal properties at constant volume, and ...
Keyword:
Na3Li4Th6F31
,
P3c1 (158)
, and
Phonon
Resource Type:
Dataset
Data origin:
simulation
Author:
Atsushi Togo
Date Uploaded:
15/05/2023
Ab-initio phonon calculation for Na2Ga2As3 / P2_1/c (14) / materials id 15431
Description/Abstract:
Ab-initio phonon calculation for Na2Ga2As3 / P2_1/c (14) Phonon band structure, phonon DOS, thermal properties at constant volume, and ph...
Keyword:
Na2Ga2As3
,
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 Y(HO)3 / P6_3/m (176) / materials id 24076
Description/Abstract:
Ab-initio phonon calculation for Y(HO)3 / P6_3/m (176) Phonon band structure, phonon DOS, thermal properties at constant volume, and phon...
Keyword:
P6_3/m (176)
,
Phonon
, and
Y(HO)3
Resource Type:
Dataset
Data origin:
simulation
Author:
Atsushi Togo
Date Uploaded:
15/05/2023
Ab-initio phonon calculation for HfO2 / Pbcn (60) / materials id 776097
Description/Abstract:
Ab-initio phonon calculation for HfO2 / Pbcn (60) Phonon band structure, phonon DOS, thermal properties at constant volume, and phonon ra...
Keyword:
HfO2
,
Pbcn (60)
, and
Phonon
Resource Type:
Dataset
Data origin:
simulation
Author:
Atsushi Togo
Date Uploaded:
15/05/2023
Ab-initio phonon calculation for K2SrBe2F8 / R-3m (166) / materials id 12626
Description/Abstract:
Ab-initio phonon calculation for K2SrBe2F8 / R-3m (166) Phonon band structure, phonon DOS, thermal properties at constant volume, and pho...
Keyword:
K2SrBe2F8
,
Phonon
, and
R-3m (166)
Resource Type:
Dataset
Data origin:
simulation
Author:
Atsushi Togo
Date Uploaded:
15/05/2023
Ab-initio phonon calculation for KBaPSe4 / Pnma (62) / materials id 18156
Description/Abstract:
Ab-initio phonon calculation for KBaPSe4 / Pnma (62) Phonon band structure, phonon DOS, thermal properties at constant volume, and phonon...
Keyword:
KBaPSe4
,
Phonon
, and
Pnma (62)
Resource Type:
Dataset
Data origin:
simulation
Author:
Atsushi Togo
Date Uploaded:
15/05/2023
Ab-initio phonon calculation for Pr2S3 / Pnma (62) / materials id 15179
Description/Abstract:
Ab-initio phonon calculation for Pr2S3 / Pnma (62) Phonon band structure, phonon DOS, thermal properties at constant volume, and phonon r...
Keyword:
Phonon
,
Pnma (62)
, and
Pr2S3
Resource Type:
Dataset
Data origin:
simulation
Author:
Atsushi Togo
Date Uploaded:
15/05/2023
Ab-initio phonon calculation for Cs2Sn(AuS2)2 / Fddd (70) / materials id 561641
Description/Abstract:
Ab-initio phonon calculation for Cs2Sn(AuS2)2 / Fddd (70) Phonon band structure, phonon DOS, thermal properties at constant volume, and p...
Keyword:
Cs2Sn(AuS2)2
,
Fddd (70)
, and
Phonon
Resource Type:
Dataset
Data origin:
simulation
Author:
Atsushi Togo
Date Uploaded:
15/05/2023
Ab-initio phonon calculation for CsAg3S2 / C2/m (12) / materials id 561902
Description/Abstract:
Ab-initio phonon calculation for CsAg3S2 / C2/m (12) Phonon band structure, phonon DOS, thermal properties at constant volume, and phonon...
Keyword:
C2/m (12)
,
CsAg3S2
, and
Phonon
Resource Type:
Dataset
Data origin:
simulation
Author:
Atsushi Togo
Date Uploaded:
15/05/2023
Ab-initio phonon calculation for RbAlSiO4 / Pna2_1 (33) / materials id 6434
Description/Abstract:
Ab-initio phonon calculation for RbAlSiO4 / Pna2_1 (33) Phonon band structure, phonon DOS, thermal properties at constant volume, and pho...
Keyword:
Phonon
,
Pna2_1 (33)
, and
RbAlSiO4
Resource Type:
Dataset
Data origin:
simulation
Author:
Atsushi Togo
Date Uploaded:
15/05/2023
Ab-initio phonon calculation for NaCa9Mg(PO4)7 / R3c (161) / materials id 9467
Description/Abstract:
Ab-initio phonon calculation for NaCa9Mg(PO4)7 / R3c (161) Phonon band structure, phonon DOS, thermal properties at constant volume, and ...
Keyword:
NaCa9Mg(PO4)7
,
Phonon
, and
R3c (161)
Resource Type:
Dataset
Data origin:
simulation
Author:
Atsushi Togo
Date Uploaded:
15/05/2023
Ab-initio phonon calculation for Tm2S3 / P2_1/m (11) / materials id 2309
Description/Abstract:
Ab-initio phonon calculation for Tm2S3 / P2_1/m (11) Phonon band structure, phonon DOS, thermal properties at constant volume, and phonon...
Keyword:
P2_1/m (11)
,
Phonon
, and
Tm2S3
Resource Type:
Dataset
Data origin:
simulation
Author:
Atsushi Togo
Date Uploaded:
15/05/2023
Ab-initio phonon calculation for CdB2XeF10 / P2_1/c (14) / materials id 559282
Description/Abstract:
Ab-initio phonon calculation for CdB2XeF10 / P2_1/c (14) Phonon band structure, phonon DOS, thermal properties at constant volume, and ph...
Keyword:
CdB2XeF10
,
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 Na2S / Pnma (62) / materials id 556978
Description/Abstract:
Ab-initio phonon calculation for Na2S / Pnma (62) Phonon band structure, phonon DOS, thermal properties at constant volume, and phonon ra...
Keyword:
Na2S
,
Phonon
, and
Pnma (62)
Resource Type:
Dataset
Data origin:
simulation
Author:
Atsushi Togo
Date Uploaded:
15/05/2023
Ab-initio phonon calculation for ThSiO4 / I4_1/amd (141) / materials id 5836
Description/Abstract:
Ab-initio phonon calculation for ThSiO4 / I4_1/amd (141) Phonon band structure, phonon DOS, thermal properties at constant volume, and ph...
Keyword:
I4_1/amd (141)
,
Phonon
, and
ThSiO4
Resource Type:
Dataset
Data origin:
simulation
Author:
Atsushi Togo
Date Uploaded:
15/05/2023
Ab-initio phonon calculation for YI3 / R-3 (148) / materials id 571442
Description/Abstract:
Ab-initio phonon calculation for YI3 / R-3 (148) Phonon band structure, phonon DOS, thermal properties at constant volume, and phonon raw...
Keyword:
Phonon
,
R-3 (148)
, and
YI3
Resource Type:
Dataset
Data origin:
simulation
Author:
Atsushi Togo
Date Uploaded:
15/05/2023
Ab-initio phonon calculation for Ba3GeO5 / P4/ncc (130) / materials id 778602
Description/Abstract:
Ab-initio phonon calculation for Ba3GeO5 / P4/ncc (130) Phonon band structure, phonon DOS, thermal properties at constant volume, and pho...
Keyword:
Ba3GeO5
,
P4/ncc (130)
, and
Phonon
Resource Type:
Dataset
Data origin:
simulation
Author:
Atsushi Togo
Date Uploaded:
15/05/2023
Ab-initio phonon calculation for KBi6ClO9 / Ia-3d (230) / materials id 557071
Description/Abstract:
Ab-initio phonon calculation for KBi6ClO9 / Ia-3d (230) Phonon band structure, phonon DOS, thermal properties at constant volume, and pho...
Keyword:
Ia-3d (230)
,
KBi6ClO9
, and
Phonon
Resource Type:
Dataset
Data origin:
simulation
Author:
Atsushi Togo
Date Uploaded:
15/05/2023
Ab-initio phonon calculation for SiO2 / I-4 (82) / materials id 554151
Description/Abstract:
Ab-initio phonon calculation for SiO2 / I-4 (82) Phonon band structure, phonon DOS, thermal properties at constant volume, and phonon raw...
Keyword:
I-4 (82)
,
Phonon
, and
SiO2
Resource Type:
Dataset
Data origin:
simulation
Author:
Atsushi Togo
Date Uploaded:
15/05/2023
Ab-initio phonon calculation for Na2ThF6 / P321 (150) / materials id 4829
Description/Abstract:
Ab-initio phonon calculation for Na2ThF6 / P321 (150) Phonon band structure, phonon DOS, thermal properties at constant volume, and phono...
Keyword:
Na2ThF6
,
P321 (150)
, and
Phonon
Resource Type:
Dataset
Data origin:
simulation
Author:
Atsushi Togo
Date Uploaded:
15/05/2023
Ab-initio phonon calculation for Ag2HgS2 / P2_1/c (14) / materials id 9635
Description/Abstract:
Ab-initio phonon calculation for Ag2HgS2 / P2_1/c (14) Phonon band structure, phonon DOS, thermal properties at constant volume, and phon...
Keyword:
Ag2HgS2
,
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 Na2Te2O7 / Imma (74) / materials id 20254
Description/Abstract:
Ab-initio phonon calculation for Na2Te2O7 / Imma (74) Phonon band structure, phonon DOS, thermal properties at constant volume, and phono...
Keyword:
Imma (74)
,
Na2Te2O7
, and
Phonon
Resource Type:
Dataset
Data origin:
simulation
Author:
Atsushi Togo
Date Uploaded:
15/05/2023
Ab-initio phonon calculation for AsSe6IF6 / P2/c (13) / materials id 23569
Description/Abstract:
Ab-initio phonon calculation for AsSe6IF6 / P2/c (13) Phonon band structure, phonon DOS, thermal properties at constant volume, and phono...
Keyword:
AsSe6IF6
,
P2/c (13)
, and
Phonon
Resource Type:
Dataset
Data origin:
simulation
Author:
Atsushi Togo
Date Uploaded:
15/05/2023
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
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1
2020
1
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Date updateds
»
Date
2014
23
2011
10
2015
6
2002
5
2013
2
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Dates
»
Creator
TODOROKI, Shin-ichi
31
National Institute for Materials Science
2
MIYAZAWA, Kun'ichi
1
VINK, Karina
1
Author
Atsushi Togo
10,137
National Institute for Materials Science
69
UEDA, Shigenori
24
YOSHIKAWA, Hideki
9
NAGATA, Takahiro
8
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Authors
»
Editor
Masashi Ishii
225
Materials Database Group
1
Operator
PRYTULIAK, Anastasiia
1
TODOROKI, Shin-ichi
1
TOYOOKA, Yoshiya
1
Contact person
Industrial Application and Partnership Division
1,757
Industrial Application and Partnership Division, JASRI
37
National Institute for Materials Science
10
License
http://rightsstatements.org/vocab/InC/1.0/
80
https://creativecommons.org/licenses/by/4.0/
3
http://opensource.org/licenses/MIT
1
https://creativecommons.org/licenses/by-nc-sa/4.0/
1
Instrument manufacturer
Japan Synchrotron Radiation Research Institute
1,794
Japan Aerospace Exploration Agency
225
Photon Factory
136
Ritsumeikan SR Center
75
Aichi SR
72
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Instrument manufacturers
»
Instrument model number
CP6L250,CP6L250S
1
Crossbeam 1540 EsB FIB/SEM
1
EHF-ED50KN-10L
1
TM-BH25-C1
1
Instrument managing organization
Japan Synchrotron Radiation Research Institute
1,794
Ritsumeikan University
75
National Institute of Technology and Evaluation
2
Instrument managing sub organization
Ritsumeikan SR Center
75
Structural feature category
https://matvoc.nims.go.jp/entity/Q686
410
http://matvoc.nims.go.jp/entity/Q202
225
http://matvoc.nims.go.jp/entity/Q686
96
Funder
MEXT
10,034
Japan Society for the Promotion of Science
2
Japan Society for the Promotion of Science (JSPS)
1
RIKEN
1
文部科学省
1
Software
VASP
10,137
phonopy
10,137
spglib
10,137
phono3py
103
CASTEP
1
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Softwares
»
Journal
Materials & Design
2
Physical Chemistry Chemical Physics
2
Science and Technology of Advanced Materials
2
CrystEngComm
1
Journal of Surface Analysis
1
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Journals
»