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Ab-initio phonon calculation for AlH3 / R-3c (167) / materials id 23933
Description/Abstract:
Ab-initio phonon calculation for AlH3 / R-3c (167) Phonon band structure, phonon DOS, thermal properties at constant volume, and phonon r...
Keyword:
AlH3
,
Phonon
, and
R-3c (167)
Resource Type:
Dataset
Data origin:
simulation
Author:
Atsushi Togo
Date Uploaded:
17/05/2023
Ab-initio phonon calculation for TeO3 / R-3c (167) / materials id 2552
Description/Abstract:
Ab-initio phonon calculation for TeO3 / R-3c (167) Phonon band structure, phonon DOS, thermal properties at constant volume, and phonon r...
Keyword:
Phonon
,
R-3c (167)
, and
TeO3
Resource Type:
Dataset
Data origin:
simulation
Author:
Atsushi Togo
Date Uploaded:
15/05/2023
Ab-initio phonon calculation for Hg3(BO3)2 / R-3c (167) / materials id 4710
Description/Abstract:
Ab-initio phonon calculation for Hg3(BO3)2 / R-3c (167) Phonon band structure, phonon DOS, thermal properties at constant volume, and pho...
Keyword:
Hg3(BO3)2
,
Phonon
, and
R-3c (167)
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 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 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 Rb3Sc(HO)6 / R-3c (167) / materials id 541483
Description/Abstract:
Ab-initio phonon calculation for Rb3Sc(HO)6 / R-3c (167) Phonon band structure, phonon DOS, thermal properties at constant volume, and ph...
Keyword:
Phonon
,
R-3c (167)
, and
Rb3Sc(HO)6
Resource Type:
Dataset
Data origin:
simulation
Author:
Atsushi Togo
Date Uploaded:
15/05/2023
Ab-initio phonon calculation for NaZr2(PO4)3 / R-3c (167) / materials id 6475
Description/Abstract:
Ab-initio phonon calculation for NaZr2(PO4)3 / R-3c (167) Phonon band structure, phonon DOS, thermal properties at constant volume, and p...
Keyword:
NaZr2(PO4)3
,
Phonon
, and
R-3c (167)
Resource Type:
Dataset
Data origin:
simulation
Author:
Atsushi Togo
Date Uploaded:
15/05/2023
Ab-initio phonon calculation for K3AuSe2 / R-3c (167) / materials id 15571
Description/Abstract:
Ab-initio phonon calculation for K3AuSe2 / R-3c (167) Phonon band structure, phonon DOS, thermal properties at constant volume, and phono...
Keyword:
K3AuSe2
,
Phonon
, and
R-3c (167)
Resource Type:
Dataset
Data origin:
simulation
Author:
Atsushi Togo
Date Uploaded:
15/05/2023
Ab-initio phonon calculation for LaGaO3 / R-3c (167) / materials id 3336
Description/Abstract:
Ab-initio phonon calculation for LaGaO3 / R-3c (167) Phonon band structure, phonon DOS, thermal properties at constant volume, and phonon...
Keyword:
LaGaO3
,
Phonon
, and
R-3c (167)
Resource Type:
Dataset
Data origin:
simulation
Author:
Atsushi Togo
Date Uploaded:
15/05/2023
Ab-initio phonon calculation for Ba3(CrS3)2 / R-3c (167) / materials id 30904
Description/Abstract:
Ab-initio phonon calculation for Ba3(CrS3)2 / R-3c (167) Phonon band structure, phonon DOS, thermal properties at constant volume, and ph...
Keyword:
Ba3(CrS3)2
,
Phonon
, and
R-3c (167)
Resource Type:
Dataset
Data origin:
simulation
Author:
Atsushi Togo
Date Uploaded:
15/05/2023
Ab-initio phonon calculation for Ba3Zr6BeCl18 / R-3c (167) / materials id 569563
Description/Abstract:
Ab-initio phonon calculation for Ba3Zr6BeCl18 / R-3c (167) Phonon band structure, phonon DOS, thermal properties at constant volume, and ...
Keyword:
Ba3Zr6BeCl18
,
Phonon
, and
R-3c (167)
Resource Type:
Dataset
Data origin:
simulation
Author:
Atsushi Togo
Date Uploaded:
15/05/2023
Ab-initio phonon calculation for LuBO3 / R-3c (167) / materials id 7560
Description/Abstract:
Ab-initio phonon calculation for LuBO3 / R-3c (167) Phonon band structure, phonon DOS, thermal properties at constant volume, and phonon ...
Keyword:
LuBO3
,
Phonon
, and
R-3c (167)
Resource Type:
Dataset
Data origin:
simulation
Author:
Atsushi Togo
Date Uploaded:
15/05/2023
Ab-initio phonon calculation for NaHf2(PO4)3 / R-3c (167) / materials id 40161
Description/Abstract:
Ab-initio phonon calculation for NaHf2(PO4)3 / R-3c (167) Phonon band structure, phonon DOS, thermal properties at constant volume, and p...
Keyword:
NaHf2(PO4)3
,
Phonon
, and
R-3c (167)
Resource Type:
Dataset
Data origin:
simulation
Author:
Atsushi Togo
Date Uploaded:
15/05/2023
Ab-initio phonon calculation for CsZr2(PO4)3 / R-3c (167) / materials id 560091
Description/Abstract:
Ab-initio phonon calculation for CsZr2(PO4)3 / R-3c (167) Phonon band structure, phonon DOS, thermal properties at constant volume, and p...
Keyword:
CsZr2(PO4)3
,
Phonon
, and
R-3c (167)
Resource Type:
Dataset
Data origin:
simulation
Author:
Atsushi Togo
Date Uploaded:
15/05/2023
Ab-initio phonon calculation for Ca3(BO3)2 / R-3c (167) / materials id 3575
Description/Abstract:
Ab-initio phonon calculation for Ca3(BO3)2 / R-3c (167) Phonon band structure, phonon DOS, thermal properties at constant volume, and pho...
Keyword:
Ca3(BO3)2
,
Phonon
, and
R-3c (167)
Resource Type:
Dataset
Data origin:
simulation
Author:
Atsushi Togo
Date Uploaded:
15/05/2023
Ab-initio phonon calculation for NaCa3RuO6 / R-3c (167) / materials id 6281
Description/Abstract:
Ab-initio phonon calculation for NaCa3RuO6 / R-3c (167) Phonon band structure, phonon DOS, thermal properties at constant volume, and pho...
Keyword:
NaCa3RuO6
,
Phonon
, and
R-3c (167)
Resource Type:
Dataset
Data origin:
simulation
Author:
Atsushi Togo
Date Uploaded:
16/05/2023
Ab-initio phonon calculation for Na4Hf2(GeO4)3 / R-3c (167) / materials id 14526
Description/Abstract:
Ab-initio phonon calculation for Na4Hf2(GeO4)3 / R-3c (167) Phonon band structure, phonon DOS, thermal properties at constant volume, and...
Keyword:
Na4Hf2(GeO4)3
,
Phonon
, and
R-3c (167)
Resource Type:
Dataset
Data origin:
simulation
Author:
Atsushi Togo
Date Uploaded:
16/05/2023
Ab-initio phonon calculation for Rb6Cl4O / R-3c (167) / materials id 29468
Description/Abstract:
Ab-initio phonon calculation for Rb6Cl4O / R-3c (167) Phonon band structure, phonon DOS, thermal properties at constant volume, and phono...
Keyword:
Phonon
,
R-3c (167)
, and
Rb6Cl4O
Resource Type:
Dataset
Data origin:
simulation
Author:
Atsushi Togo
Date Uploaded:
16/05/2023
Ab-initio phonon calculation for LiNbO3 / R-3c (167) / materials id 552588
Description/Abstract:
Ab-initio phonon calculation for LiNbO3 / R-3c (167) Phonon band structure, phonon DOS, thermal properties at constant volume, and phonon...
Keyword:
LiNbO3
,
Phonon
, and
R-3c (167)
Resource Type:
Dataset
Data origin:
simulation
Author:
Atsushi Togo
Date Uploaded:
16/05/2023
Ab-initio phonon calculation for Sr3CdPtO6 / R-3c (167) / materials id 10392
Description/Abstract:
Ab-initio phonon calculation for Sr3CdPtO6 / R-3c (167) Phonon band structure, phonon DOS, thermal properties at constant volume, and pho...
Keyword:
Phonon
,
R-3c (167)
, and
Sr3CdPtO6
Resource Type:
Dataset
Data origin:
simulation
Author:
Atsushi Togo
Date Uploaded:
16/05/2023
Ab-initio phonon calculation for Ga3Bi5Cl12 / R-3c (167) / materials id 29075
Description/Abstract:
Ab-initio phonon calculation for Ga3Bi5Cl12 / R-3c (167) Phonon band structure, phonon DOS, thermal properties at constant volume, and ph...
Keyword:
Ga3Bi5Cl12
,
Phonon
, and
R-3c (167)
Resource Type:
Dataset
Data origin:
simulation
Author:
Atsushi Togo
Date Uploaded:
16/05/2023
Ab-initio phonon calculation for Cs6Cl4O / R-3c (167) / materials id 29983
Description/Abstract:
Ab-initio phonon calculation for Cs6Cl4O / R-3c (167) Phonon band structure, phonon DOS, thermal properties at constant volume, and phono...
Keyword:
Cs6Cl4O
,
Phonon
, and
R-3c (167)
Resource Type:
Dataset
Data origin:
simulation
Author:
Atsushi Togo
Date Uploaded:
16/05/2023
Ab-initio phonon calculation for BaLi(B3O5)3 / R-3c (167) / materials id 558890
Description/Abstract:
Ab-initio phonon calculation for BaLi(B3O5)3 / R-3c (167) Phonon band structure, phonon DOS, thermal properties at constant volume, and p...
Keyword:
BaLi(B3O5)3
,
Phonon
, and
R-3c (167)
Resource Type:
Dataset
Data origin:
simulation
Author:
Atsushi Togo
Date Uploaded:
16/05/2023
Ab-initio phonon calculation for Ba3(BO3)2 / R-3c (167) / materials id 755417
Description/Abstract:
Ab-initio phonon calculation for Ba3(BO3)2 / R-3c (167) Phonon band structure, phonon DOS, thermal properties at constant volume, and pho...
Keyword:
Ba3(BO3)2
,
Phonon
, and
R-3c (167)
Resource Type:
Dataset
Data origin:
simulation
Author:
Atsushi Togo
Date Uploaded:
16/05/2023
Ab-initio phonon calculation for SrCO3 / R-3c (167) / materials id 38035
Description/Abstract:
Ab-initio phonon calculation for SrCO3 / R-3c (167) Phonon band structure, phonon DOS, thermal properties at constant volume, and phonon ...
Keyword:
Phonon
,
R-3c (167)
, and
SrCO3
Resource Type:
Dataset
Data origin:
simulation
Author:
Atsushi Togo
Date Uploaded:
16/05/2023
Ab-initio phonon calculation for Rb4CdCl6 / R-3c (167) / materials id 22930
Description/Abstract:
Ab-initio phonon calculation for Rb4CdCl6 / R-3c (167) Phonon band structure, phonon DOS, thermal properties at constant volume, and phon...
Keyword:
Phonon
,
R-3c (167)
, and
Rb4CdCl6
Resource Type:
Dataset
Data origin:
simulation
Author:
Atsushi Togo
Date Uploaded:
16/05/2023
Ab-initio phonon calculation for LiZr2(PO4)3 / R-3c (167) / materials id 541661
Description/Abstract:
Ab-initio phonon calculation for LiZr2(PO4)3 / R-3c (167) Phonon band structure, phonon DOS, thermal properties at constant volume, and p...
Keyword:
LiZr2(PO4)3
,
Phonon
, and
R-3c (167)
Resource Type:
Dataset
Data origin:
simulation
Author:
Atsushi Togo
Date Uploaded:
16/05/2023
Ab-initio phonon calculation for ScBO3 / R-3c (167) / materials id 8697
Description/Abstract:
Ab-initio phonon calculation for ScBO3 / R-3c (167) Phonon band structure, phonon DOS, thermal properties at constant volume, and phonon ...
Keyword:
Phonon
,
R-3c (167)
, and
ScBO3
Resource Type:
Dataset
Data origin:
simulation
Author:
Atsushi Togo
Date Uploaded:
16/05/2023
Ab-initio phonon calculation for KZr2(PO4)3 / R-3c (167) / materials id 540577
Description/Abstract:
Ab-initio phonon calculation for KZr2(PO4)3 / R-3c (167) Phonon band structure, phonon DOS, thermal properties at constant volume, and ph...
Keyword:
KZr2(PO4)3
,
Phonon
, and
R-3c (167)
Resource Type:
Dataset
Data origin:
simulation
Author:
Atsushi Togo
Date Uploaded:
16/05/2023
Ab-initio phonon calculation for NaSr3BiO6 / R-3c (167) / materials id 555812
Description/Abstract:
Ab-initio phonon calculation for NaSr3BiO6 / R-3c (167) Phonon band structure, phonon DOS, thermal properties at constant volume, and pho...
Keyword:
NaSr3BiO6
,
Phonon
, and
R-3c (167)
Resource Type:
Dataset
Data origin:
simulation
Author:
Atsushi Togo
Date Uploaded:
16/05/2023
Ab-initio phonon calculation for Sr3ErRhO6 / R-3c (167) / materials id 17149
Description/Abstract:
Ab-initio phonon calculation for Sr3ErRhO6 / R-3c (167) Phonon band structure, phonon DOS, thermal properties at constant volume, and pho...
Keyword:
Phonon
,
R-3c (167)
, and
Sr3ErRhO6
Resource Type:
Dataset
Data origin:
simulation
Author:
Atsushi Togo
Date Uploaded:
16/05/2023
Ab-initio phonon calculation for Ba3NaBiO6 / R-3c (167) / materials id 556316
Description/Abstract:
Ab-initio phonon calculation for Ba3NaBiO6 / R-3c (167) Phonon band structure, phonon DOS, thermal properties at constant volume, and pho...
Keyword:
Ba3NaBiO6
,
Phonon
, and
R-3c (167)
Resource Type:
Dataset
Data origin:
simulation
Author:
Atsushi Togo
Date Uploaded:
16/05/2023
Ab-initio phonon calculation for GaF3 / R-3c (167) / materials id 588
Description/Abstract:
Ab-initio phonon calculation for GaF3 / R-3c (167) Phonon band structure, phonon DOS, thermal properties at constant volume, and phonon r...
Keyword:
GaF3
,
Phonon
, and
R-3c (167)
Resource Type:
Dataset
Data origin:
simulation
Author:
Atsushi Togo
Date Uploaded:
16/05/2023
Ab-initio phonon calculation for Cs4PbBr6 / R-3c (167) / materials id 23436
Description/Abstract:
Ab-initio phonon calculation for Cs4PbBr6 / R-3c (167) Phonon band structure, phonon DOS, thermal properties at constant volume, and phon...
Keyword:
Cs4PbBr6
,
Phonon
, and
R-3c (167)
Resource Type:
Dataset
Data origin:
simulation
Author:
Atsushi Togo
Date Uploaded:
16/05/2023
Ab-initio phonon calculation for MgCO3 / R-3c (167) / materials id 5348
Description/Abstract:
Ab-initio phonon calculation for MgCO3 / R-3c (167) Phonon band structure, phonon DOS, thermal properties at constant volume, and phonon ...
Keyword:
MgCO3
,
Phonon
, and
R-3c (167)
Resource Type:
Dataset
Data origin:
simulation
Author:
Atsushi Togo
Date Uploaded:
17/05/2023
Ab-initio phonon calculation for LiSn2(PO4)3 / R-3c (167) / materials id 562473
Description/Abstract:
Ab-initio phonon calculation for LiSn2(PO4)3 / R-3c (167) Phonon band structure, phonon DOS, thermal properties at constant volume, and p...
Keyword:
LiSn2(PO4)3
,
Phonon
, and
R-3c (167)
Resource Type:
Dataset
Data origin:
simulation
Author:
Atsushi Togo
Date Uploaded:
17/05/2023
Ab-initio phonon calculation for Sr4PdO6 / R-3c (167) / materials id 29775
Description/Abstract:
Ab-initio phonon calculation for Sr4PdO6 / R-3c (167) Phonon band structure, phonon DOS, thermal properties at constant volume, and phono...
Keyword:
Phonon
,
R-3c (167)
, and
Sr4PdO6
Resource Type:
Dataset
Data origin:
simulation
Author:
Atsushi Togo
Date Uploaded:
17/05/2023
Ab-initio phonon calculation for SrAl2B2O7 / R-3c (167) / materials id 558669
Description/Abstract:
Ab-initio phonon calculation for SrAl2B2O7 / R-3c (167) Phonon band structure, phonon DOS, thermal properties at constant volume, and pho...
Keyword:
Phonon
,
R-3c (167)
, and
SrAl2B2O7
Resource Type:
Dataset
Data origin:
simulation
Author:
Atsushi Togo
Date Uploaded:
17/05/2023
Ab-initio phonon calculation for BaZr(BO3)2 / R-3c (167) / materials id 559348
Description/Abstract:
Ab-initio phonon calculation for BaZr(BO3)2 / R-3c (167) Phonon band structure, phonon DOS, thermal properties at constant volume, and ph...
Keyword:
BaZr(BO3)2
,
Phonon
, and
R-3c (167)
Resource Type:
Dataset
Data origin:
simulation
Author:
Atsushi Togo
Date Uploaded:
17/05/2023
Ab-initio phonon calculation for YbRb4I6 / R-3c (167) / materials id 23347
Description/Abstract:
Ab-initio phonon calculation for YbRb4I6 / R-3c (167) Phonon band structure, phonon DOS, thermal properties at constant volume, and phono...
Keyword:
Phonon
,
R-3c (167)
, and
YbRb4I6
Resource Type:
Dataset
Data origin:
simulation
Author:
Atsushi Togo
Date Uploaded:
17/05/2023
Ab-initio phonon calculation for In2O3 / R-3c (167) / materials id 22323
Description/Abstract:
Ab-initio phonon calculation for In2O3 / R-3c (167) Phonon band structure, phonon DOS, thermal properties at constant volume, and phonon ...
Keyword:
In2O3
,
Phonon
, and
R-3c (167)
Resource Type:
Dataset
Data origin:
simulation
Author:
Atsushi Togo
Date Uploaded:
17/05/2023
Ab-initio phonon calculation for InF3 / R-3c (167) / materials id 6949
Description/Abstract:
Ab-initio phonon calculation for InF3 / R-3c (167) Phonon band structure, phonon DOS, thermal properties at constant volume, and phonon r...
Keyword:
InF3
,
Phonon
, and
R-3c (167)
Resource Type:
Dataset
Data origin:
simulation
Author:
Atsushi Togo
Date Uploaded:
17/05/2023
Ab-initio phonon calculation for RbNO3 / R-3c (167) / materials id 38220
Description/Abstract:
Ab-initio phonon calculation for RbNO3 / R-3c (167) Phonon band structure, phonon DOS, thermal properties at constant volume, and phonon ...
Keyword:
Phonon
,
R-3c (167)
, and
RbNO3
Resource Type:
Dataset
Data origin:
simulation
Author:
Atsushi Togo
Date Uploaded:
17/05/2023
Ab-initio phonon calculation for Sr3ScRhO6 / R-3c (167) / materials id 18247
Description/Abstract:
Ab-initio phonon calculation for Sr3ScRhO6 / R-3c (167) Phonon band structure, phonon DOS, thermal properties at constant volume, and pho...
Keyword:
Phonon
,
R-3c (167)
, and
Sr3ScRhO6
Resource Type:
Dataset
Data origin:
simulation
Author:
Atsushi Togo
Date Uploaded:
18/05/2023
Ab-initio phonon calculation for Ti2Cu(PO4)3 / R-3c (167) / materials id 772797
Description/Abstract:
Ab-initio phonon calculation for Ti2Cu(PO4)3 / R-3c (167) Phonon band structure, phonon DOS, thermal properties at constant volume, and p...
Keyword:
Phonon
,
R-3c (167)
, and
Ti2Cu(PO4)3
Resource Type:
Dataset
Data origin:
simulation
Author:
Atsushi Togo
Date Uploaded:
18/05/2023
Ab-initio phonon calculation for Ca4PtO6 / R-3c (167) / materials id 8568
Description/Abstract:
Ab-initio phonon calculation for Ca4PtO6 / R-3c (167) Phonon band structure, phonon DOS, thermal properties at constant volume, and phono...
Keyword:
Ca4PtO6
,
Phonon
, and
R-3c (167)
Resource Type:
Dataset
Data origin:
simulation
Author:
Atsushi Togo
Date Uploaded:
18/05/2023
Ab-initio phonon calculation for Zr3InF15 / R-3c (167) / materials id 34291
Description/Abstract:
Ab-initio phonon calculation for Zr3InF15 / R-3c (167) Phonon band structure, phonon DOS, thermal properties at constant volume, and phon...
Keyword:
Phonon
,
R-3c (167)
, and
Zr3InF15
Resource Type:
Dataset
Data origin:
simulation
Author:
Atsushi Togo
Date Uploaded:
18/05/2023
Ab-initio phonon calculation for Na4H6Ru / R-3c (167) / materials id 643001
Description/Abstract:
Ab-initio phonon calculation for Na4H6Ru / R-3c (167) Phonon band structure, phonon DOS, thermal properties at constant volume, and phono...
Keyword:
Na4H6Ru
,
Phonon
, and
R-3c (167)
Resource Type:
Dataset
Data origin:
simulation
Author:
Atsushi Togo
Date Uploaded:
18/05/2023
Ab-initio phonon calculation for CaCO3 / R-3c (167) / materials id 3953
Description/Abstract:
Ab-initio phonon calculation for CaCO3 / R-3c (167) Phonon band structure, phonon DOS, thermal properties at constant volume, and phonon ...
Keyword:
CaCO3
,
Phonon
, and
R-3c (167)
Resource Type:
Dataset
Data origin:
simulation
Author:
Atsushi Togo
Date Uploaded:
18/05/2023
Ab-initio phonon calculation for Ir2S3 / R-3c (167) / materials id 861979
Description/Abstract:
Ab-initio phonon calculation for Ir2S3 / R-3c (167) Phonon band structure, phonon DOS, thermal properties at constant volume, and phonon ...
Keyword:
Ir2S3
,
Phonon
, and
R-3c (167)
Resource Type:
Dataset
Data origin:
simulation
Author:
Atsushi Togo
Date Uploaded:
18/05/2023
Ab-initio phonon calculation for Sr3YRhO6 / R-3c (167) / materials id 18498
Description/Abstract:
Ab-initio phonon calculation for Sr3YRhO6 / R-3c (167) Phonon band structure, phonon DOS, thermal properties at constant volume, and phon...
Keyword:
Phonon
,
R-3c (167)
, and
Sr3YRhO6
Resource Type:
Dataset
Data origin:
simulation
Author:
Atsushi Togo
Date Uploaded:
18/05/2023
Ab-initio phonon calculation for Ba(BO2)2 / R-3c (167) / materials id 540659
Description/Abstract:
Ab-initio phonon calculation for Ba(BO2)2 / R-3c (167) Phonon band structure, phonon DOS, thermal properties at constant volume, and phon...
Keyword:
Ba(BO2)2
,
Phonon
, and
R-3c (167)
Resource Type:
Dataset
Data origin:
simulation
Author:
Atsushi Togo
Date Uploaded:
18/05/2023
Ab-initio phonon calculation for TmCl3 / R-3c (167) / materials id 28044
Description/Abstract:
Ab-initio phonon calculation for TmCl3 / R-3c (167) Phonon band structure, phonon DOS, thermal properties at constant volume, and phonon ...
Keyword:
Phonon
,
R-3c (167)
, and
TmCl3
Resource Type:
Dataset
Data origin:
simulation
Author:
Atsushi Togo
Date Uploaded:
18/05/2023
Ab-initio phonon calculation for Ba2Re6S11 / R-3c (167) / materials id 14406
Description/Abstract:
Ab-initio phonon calculation for Ba2Re6S11 / R-3c (167) Phonon band structure, phonon DOS, thermal properties at constant volume, and pho...
Keyword:
Ba2Re6S11
,
Phonon
, and
R-3c (167)
Resource Type:
Dataset
Data origin:
simulation
Author:
Atsushi Togo
Date Uploaded:
18/05/2023
Ab-initio phonon calculation for NaBO2 / R-3c (167) / materials id 3889
Description/Abstract:
Ab-initio phonon calculation for NaBO2 / R-3c (167) Phonon band structure, phonon DOS, thermal properties at constant volume, and phonon ...
Keyword:
NaBO2
,
Phonon
, and
R-3c (167)
Resource Type:
Dataset
Data origin:
simulation
Author:
Atsushi Togo
Date Uploaded:
18/05/2023
Ab-initio phonon calculation for In5Cl9 / R-3c (167) / materials id 28112
Description/Abstract:
Ab-initio phonon calculation for In5Cl9 / R-3c (167) Phonon band structure, phonon DOS, thermal properties at constant volume, and phonon...
Keyword:
In5Cl9
,
Phonon
, and
R-3c (167)
Resource Type:
Dataset
Data origin:
simulation
Author:
Atsushi Togo
Date Uploaded:
18/05/2023
Ab-initio phonon calculation for TaAgO3 / R-3c (167) / materials id 9890
Description/Abstract:
Ab-initio phonon calculation for TaAgO3 / R-3c (167) Phonon band structure, phonon DOS, thermal properties at constant volume, and phonon...
Keyword:
Phonon
,
R-3c (167)
, and
TaAgO3
Resource Type:
Dataset
Data origin:
simulation
Author:
Atsushi Togo
Date Uploaded:
18/05/2023
Ab-initio phonon calculation for Sr3(BO3)2 / R-3c (167) / materials id 16432
Description/Abstract:
Ab-initio phonon calculation for Sr3(BO3)2 / R-3c (167) Phonon band structure, phonon DOS, thermal properties at constant volume, and pho...
Keyword:
Phonon
,
R-3c (167)
, and
Sr3(BO3)2
Resource Type:
Dataset
Data origin:
simulation
Author:
Atsushi Togo
Date Uploaded:
18/05/2023
Ab-initio phonon calculation for NdAlO3 / R-3c (167) / materials id 5899
Description/Abstract:
Ab-initio phonon calculation for NdAlO3 / R-3c (167) Phonon band structure, phonon DOS, thermal properties at constant volume, and phonon...
Keyword:
NdAlO3
,
Phonon
, and
R-3c (167)
Resource Type:
Dataset
Data origin:
simulation
Author:
Atsushi Togo
Date Uploaded:
18/05/2023
Ab-initio phonon calculation for NaTi2(PO4)3 / R-3c (167) / materials id 6761
Description/Abstract:
Ab-initio phonon calculation for NaTi2(PO4)3 / R-3c (167) Phonon band structure, phonon DOS, thermal properties at constant volume, and p...
Keyword:
NaTi2(PO4)3
,
Phonon
, and
R-3c (167)
Resource Type:
Dataset
Data origin:
simulation
Author:
Atsushi Togo
Date Uploaded:
18/05/2023
Ab-initio phonon calculation for Cs3Sc2Cl9 / R-3c (167) / materials id 637194
Description/Abstract:
Ab-initio phonon calculation for Cs3Sc2Cl9 / R-3c (167) Phonon band structure, phonon DOS, thermal properties at constant volume, and pho...
Keyword:
Cs3Sc2Cl9
,
Phonon
, and
R-3c (167)
Resource Type:
Dataset
Data origin:
simulation
Author:
Atsushi Togo
Date Uploaded:
18/05/2023
Ab-initio phonon calculation for K3CO3F / R-3c (167) / materials id 8773
Description/Abstract:
Ab-initio phonon calculation for K3CO3F / R-3c (167) Phonon band structure, phonon DOS, thermal properties at constant volume, and phonon...
Keyword:
K3CO3F
,
Phonon
, and
R-3c (167)
Resource Type:
Dataset
Data origin:
simulation
Author:
Atsushi Togo
Date Uploaded:
18/05/2023
Ab-initio phonon calculation for DyAlO3 / R-3c (167) / materials id 754936
Description/Abstract:
Ab-initio phonon calculation for DyAlO3 / R-3c (167) Phonon band structure, phonon DOS, thermal properties at constant volume, and phonon...
Keyword:
DyAlO3
,
Phonon
, and
R-3c (167)
Resource Type:
Dataset
Data origin:
simulation
Author:
Atsushi Togo
Date Uploaded:
18/05/2023
Ab-initio phonon calculation for KBO2 / R-3c (167) / materials id 3919
Description/Abstract:
Ab-initio phonon calculation for KBO2 / R-3c (167) Phonon band structure, phonon DOS, thermal properties at constant volume, and phonon r...
Keyword:
KBO2
,
Phonon
, and
R-3c (167)
Resource Type:
Dataset
Data origin:
simulation
Author:
Atsushi Togo
Date Uploaded:
18/05/2023
Ab-initio phonon calculation for Rb4PbBr6 / R-3c (167) / materials id 28564
Description/Abstract:
Ab-initio phonon calculation for Rb4PbBr6 / R-3c (167) Phonon band structure, phonon DOS, thermal properties at constant volume, and phon...
Keyword:
Phonon
,
R-3c (167)
, and
Rb4PbBr6
Resource Type:
Dataset
Data origin:
simulation
Author:
Atsushi Togo
Date Uploaded:
18/05/2023
Ab-initio phonon calculation for Na3AuS2 / R-3c (167) / materials id 15567
Description/Abstract:
Ab-initio phonon calculation for Na3AuS2 / R-3c (167) Phonon band structure, phonon DOS, thermal properties at constant volume, and phono...
Keyword:
Na3AuS2
,
Phonon
, and
R-3c (167)
Resource Type:
Dataset
Data origin:
simulation
Author:
Atsushi Togo
Date Uploaded:
18/05/2023
Ab-initio phonon calculation for Be2BO3F / R-3c (167) / materials id 554023
Description/Abstract:
Ab-initio phonon calculation for Be2BO3F / R-3c (167) Phonon band structure, phonon DOS, thermal properties at constant volume, and phono...
Keyword:
Be2BO3F
,
Phonon
, and
R-3c (167)
Resource Type:
Dataset
Data origin:
simulation
Author:
Atsushi Togo
Date Uploaded:
18/05/2023
Ab-initio phonon calculation for Ba4PtO6 / R-3c (167) / materials id 8727
Description/Abstract:
Ab-initio phonon calculation for Ba4PtO6 / R-3c (167) Phonon band structure, phonon DOS, thermal properties at constant volume, and phono...
Keyword:
Ba4PtO6
,
Phonon
, and
R-3c (167)
Resource Type:
Dataset
Data origin:
simulation
Author:
Atsushi Togo
Date Uploaded:
18/05/2023
Ab-initio phonon calculation for YAlO3 / R-3c (167) / materials id 756214
Description/Abstract:
Ab-initio phonon calculation for YAlO3 / R-3c (167) Phonon band structure, phonon DOS, thermal properties at constant volume, and phonon ...
Keyword:
Phonon
,
R-3c (167)
, and
YAlO3
Resource Type:
Dataset
Data origin:
simulation
Author:
Atsushi Togo
Date Uploaded:
18/05/2023
Ab-initio phonon calculation for Lu2(CN2)3 / R-3c (167) / materials id 607712
Description/Abstract:
Ab-initio phonon calculation for Lu2(CN2)3 / R-3c (167) Phonon band structure, phonon DOS, thermal properties at constant volume, and pho...
Keyword:
Lu2(CN2)3
,
Phonon
, and
R-3c (167)
Resource Type:
Dataset
Data origin:
simulation
Author:
Atsushi Togo
Date Uploaded:
18/05/2023
Ab-initio phonon calculation for K4CdCl6 / R-3c (167) / materials id 23392
Description/Abstract:
Ab-initio phonon calculation for K4CdCl6 / R-3c (167) Phonon band structure, phonon DOS, thermal properties at constant volume, and phono...
Keyword:
K4CdCl6
,
Phonon
, and
R-3c (167)
Resource Type:
Dataset
Data origin:
simulation
Author:
Atsushi Togo
Date Uploaded:
18/05/2023
Ab-initio phonon calculation for Lu2(SO4)3 / R-3c (167) / materials id 768453
Description/Abstract:
Ab-initio phonon calculation for Lu2(SO4)3 / R-3c (167) Phonon band structure, phonon DOS, thermal properties at constant volume, and pho...
Keyword:
Lu2(SO4)3
,
Phonon
, and
R-3c (167)
Resource Type:
Dataset
Data origin:
simulation
Author:
Atsushi Togo
Date Uploaded:
18/05/2023
Ab-initio phonon calculation for TbSr3RhO6 / R-3c (167) / materials id 18705
Description/Abstract:
Ab-initio phonon calculation for TbSr3RhO6 / R-3c (167) Phonon band structure, phonon DOS, thermal properties at constant volume, and pho...
Keyword:
Phonon
,
R-3c (167)
, and
TbSr3RhO6
Resource Type:
Dataset
Data origin:
simulation
Author:
Atsushi Togo
Date Uploaded:
18/05/2023
Ab-initio phonon calculation for Rb4CdBr6 / R-3c (167) / materials id 28315
Description/Abstract:
Ab-initio phonon calculation for Rb4CdBr6 / R-3c (167) Phonon band structure, phonon DOS, thermal properties at constant volume, and phon...
Keyword:
Phonon
,
R-3c (167)
, and
Rb4CdBr6
Resource Type:
Dataset
Data origin:
simulation
Author:
Atsushi Togo
Date Uploaded:
19/05/2023
Ab-initio phonon calculation for Na3Sc2(BO3)3 / R-3c (167) / materials id 561018
Description/Abstract:
Ab-initio phonon calculation for Na3Sc2(BO3)3 / R-3c (167) Phonon band structure, phonon DOS, thermal properties at constant volume, and ...
Keyword:
Na3Sc2(BO3)3
,
Phonon
, and
R-3c (167)
Resource Type:
Dataset
Data origin:
simulation
Author:
Atsushi Togo
Date Uploaded:
22/05/2023
Ab-initio phonon calculation for KBS2 / R-3c (167) / materials id 15012
Description/Abstract:
Ab-initio phonon calculation for KBS2 / R-3c (167) Phonon band structure, phonon DOS, thermal properties at constant volume, and phonon r...
Keyword:
KBS2
,
Phonon
, and
R-3c (167)
Resource Type:
Dataset
Data origin:
simulation
Author:
Atsushi Togo
Date Uploaded:
22/05/2023
Ab-initio phonon calculation for Rh2S3 / R-3c (167) / materials id 974381
Description/Abstract:
Ab-initio phonon calculation for Rh2S3 / R-3c (167) Phonon band structure, phonon DOS, thermal properties at constant volume, and phonon ...
Keyword:
Phonon
,
R-3c (167)
, and
Rh2S3
Resource Type:
Dataset
Data origin:
simulation
Author:
Atsushi Togo
Date Uploaded:
22/05/2023
Ab-initio phonon calculation for IrF3 / R-3c (167) / materials id 2437
Description/Abstract:
Ab-initio phonon calculation for IrF3 / R-3c (167) Phonon band structure, phonon DOS, thermal properties at constant volume, and phonon r...
Keyword:
IrF3
,
Phonon
, and
R-3c (167)
Resource Type:
Dataset
Data origin:
simulation
Author:
Atsushi Togo
Date Uploaded:
22/05/2023
Ab-initio phonon calculation for Ba3NaRuO6 / R-3c (167) / materials id 9745
Description/Abstract:
Ab-initio phonon calculation for Ba3NaRuO6 / R-3c (167) Phonon band structure, phonon DOS, thermal properties at constant volume, and pho...
Keyword:
Ba3NaRuO6
,
Phonon
, and
R-3c (167)
Resource Type:
Dataset
Data origin:
simulation
Author:
Atsushi Togo
Date Uploaded:
22/05/2023
Ab-initio phonon calculation for InBO3 / R-3c (167) / materials id 7027
Description/Abstract:
Ab-initio phonon calculation for InBO3 / R-3c (167) Phonon band structure, phonon DOS, thermal properties at constant volume, and phonon ...
Keyword:
InBO3
,
Phonon
, and
R-3c (167)
Resource Type:
Dataset
Data origin:
simulation
Author:
Atsushi Togo
Date Uploaded:
22/05/2023
Ab-initio phonon calculation for Al3Bi5Cl12 / R-3c (167) / materials id 646102
Description/Abstract:
Ab-initio phonon calculation for Al3Bi5Cl12 / R-3c (167) Phonon band structure, phonon DOS, thermal properties at constant volume, and ph...
Keyword:
Al3Bi5Cl12
,
Phonon
, and
R-3c (167)
Resource Type:
Dataset
Data origin:
simulation
Author:
Atsushi Togo
Date Uploaded:
22/05/2023
Ab-initio phonon calculation for Sr3MgPtO6 / R-3c (167) / materials id 6064
Description/Abstract:
Ab-initio phonon calculation for Sr3MgPtO6 / R-3c (167) Phonon band structure, phonon DOS, thermal properties at constant volume, and pho...
Keyword:
Phonon
,
R-3c (167)
, and
Sr3MgPtO6
Resource Type:
Dataset
Data origin:
simulation
Author:
Atsushi Togo
Date Uploaded:
22/05/2023
Ab-initio phonon calculation for CsUN3O11 / R-3c (167) / materials id 541035
Description/Abstract:
Ab-initio phonon calculation for CsUN3O11 / R-3c (167) Phonon band structure, phonon DOS, thermal properties at constant volume, and phon...
Keyword:
CsUN3O11
,
Phonon
, and
R-3c (167)
Resource Type:
Dataset
Data origin:
simulation
Author:
Atsushi Togo
Date Uploaded:
22/05/2023
Ab-initio phonon calculation for LiNO3 / R-3c (167) / materials id 8180
Description/Abstract:
Ab-initio phonon calculation for LiNO3 / R-3c (167) Phonon band structure, phonon DOS, thermal properties at constant volume, and phonon ...
Keyword:
LiNO3
,
Phonon
, and
R-3c (167)
Resource Type:
Dataset
Data origin:
simulation
Author:
Atsushi Togo
Date Uploaded:
22/05/2023
Ab-initio phonon calculation for Sr3ZnPtO6 / R-3c (167) / materials id 6730
Description/Abstract:
Ab-initio phonon calculation for Sr3ZnPtO6 / R-3c (167) Phonon band structure, phonon DOS, thermal properties at constant volume, and pho...
Keyword:
Phonon
,
R-3c (167)
, and
Sr3ZnPtO6
Resource Type:
Dataset
Data origin:
simulation
Author:
Atsushi Togo
Date Uploaded:
22/05/2023
Ab-initio phonon calculation for Ca3N2 / R-3c (167) / materials id 1047
Description/Abstract:
Ab-initio phonon calculation for Ca3N2 / R-3c (167) Phonon band structure, phonon DOS, thermal properties at constant volume, and phonon ...
Keyword:
Ca3N2
,
Phonon
, and
R-3c (167)
Resource Type:
Dataset
Data origin:
simulation
Author:
Atsushi Togo
Date Uploaded:
22/05/2023
Ab-initio phonon calculation for Sc2(SO4)3 / R-3c (167) / materials id 16800
Description/Abstract:
Ab-initio phonon calculation for Sc2(SO4)3 / R-3c (167) Phonon band structure, phonon DOS, thermal properties at constant volume, and pho...
Keyword:
Phonon
,
R-3c (167)
, and
Sc2(SO4)3
Resource Type:
Dataset
Data origin:
simulation
Author:
Atsushi Togo
Date Uploaded:
22/05/2023
Ab-initio phonon calculation for Ba3NaNbO6 / R-3c (167) / materials id 8960
Description/Abstract:
Ab-initio phonon calculation for Ba3NaNbO6 / R-3c (167) Phonon band structure, phonon DOS, thermal properties at constant volume, and pho...
Keyword:
Ba3NaNbO6
,
Phonon
, and
R-3c (167)
Resource Type:
Dataset
Data origin:
simulation
Author:
Atsushi Togo
Date Uploaded:
22/05/2023
Ab-initio phonon calculation for La(AuF4)3 / R-3c (167) / materials id 28993
Description/Abstract:
Ab-initio phonon calculation for La(AuF4)3 / R-3c (167) Phonon band structure, phonon DOS, thermal properties at constant volume, and pho...
Keyword:
La(AuF4)3
,
Phonon
, and
R-3c (167)
Resource Type:
Dataset
Data origin:
simulation
Author:
Atsushi Togo
Date Uploaded:
22/05/2023
Ab-initio phonon calculation for Cs3Y2Br9 / R-3c (167) / materials id 568937
Description/Abstract:
Ab-initio phonon calculation for Cs3Y2Br9 / R-3c (167) Phonon band structure, phonon DOS, thermal properties at constant volume, and phon...
Keyword:
Cs3Y2Br9
,
Phonon
, and
R-3c (167)
Resource Type:
Dataset
Data origin:
simulation
Author:
Atsushi Togo
Date Uploaded:
22/05/2023
Ab-initio phonon calculation for NaNO3 / R-3c (167) / materials id 4531
Description/Abstract:
Ab-initio phonon calculation for NaNO3 / R-3c (167) Phonon band structure, phonon DOS, thermal properties at constant volume, and phonon ...
Keyword:
NaNO3
,
Phonon
, and
R-3c (167)
Resource Type:
Dataset
Data origin:
simulation
Author:
Atsushi Togo
Date Uploaded:
22/05/2023
Ab-initio phonon calculation for RbBS2 / R-3c (167) / materials id 15013
Description/Abstract:
Ab-initio phonon calculation for RbBS2 / R-3c (167) Phonon band structure, phonon DOS, thermal properties at constant volume, and phonon ...
Keyword:
Phonon
,
R-3c (167)
, and
RbBS2
Resource Type:
Dataset
Data origin:
simulation
Author:
Atsushi Togo
Date Uploaded:
22/05/2023
Ab-initio phonon calculation for HoBO3 / R-3c (167) / materials id 754409
Description/Abstract:
Ab-initio phonon calculation for HoBO3 / R-3c (167) Phonon band structure, phonon DOS, thermal properties at constant volume, and phonon ...
Keyword:
HoBO3
,
Phonon
, and
R-3c (167)
Resource Type:
Dataset
Data origin:
simulation
Author:
Atsushi Togo
Date Uploaded:
22/05/2023
Ab-initio phonon calculation for LiGe2(PO4)3 / R-3c (167) / materials id 541272
Description/Abstract:
Ab-initio phonon calculation for LiGe2(PO4)3 / R-3c (167) Phonon band structure, phonon DOS, thermal properties at constant volume, and p...
Keyword:
LiGe2(PO4)3
,
Phonon
, and
R-3c (167)
Resource Type:
Dataset
Data origin:
simulation
Author:
Atsushi Togo
Date Uploaded:
23/05/2023
Ab-initio phonon calculation for Na2Nb4O11 / R-3c (167) / materials id 540706
Description/Abstract:
Ab-initio phonon calculation for Na2Nb4O11 / R-3c (167) Phonon band structure, phonon DOS, thermal properties at constant volume, and pho...
Keyword:
Na2Nb4O11
,
Phonon
, and
R-3c (167)
Resource Type:
Dataset
Data origin:
simulation
Author:
Atsushi Togo
Date Uploaded:
23/05/2023
Ab-initio phonon calculation for Sr3DyRhO6 / R-3c (167) / materials id 18651
Description/Abstract:
Ab-initio phonon calculation for Sr3DyRhO6 / R-3c (167) Phonon band structure, phonon DOS, thermal properties at constant volume, and pho...
Keyword:
Phonon
,
R-3c (167)
, and
Sr3DyRhO6
Resource Type:
Dataset
Data origin:
simulation
Author:
Atsushi Togo
Date Uploaded:
23/05/2023
Ab-initio phonon calculation for Na4Zr2(SiO4)3 / R-3c (167) / materials id 6150
Description/Abstract:
Ab-initio phonon calculation for Na4Zr2(SiO4)3 / R-3c (167) Phonon band structure, phonon DOS, thermal properties at constant volume, and...
Keyword:
Na4Zr2(SiO4)3
,
Phonon
, and
R-3c (167)
Resource Type:
Dataset
Data origin:
simulation
Author:
Atsushi Togo
Date Uploaded:
23/05/2023
Ab-initio phonon calculation for CsBO2 / R-3c (167) / materials id 561725
Description/Abstract:
Ab-initio phonon calculation for CsBO2 / R-3c (167) Phonon band structure, phonon DOS, thermal properties at constant volume, and phonon ...
Keyword:
CsBO2
,
Phonon
, and
R-3c (167)
Resource Type:
Dataset
Data origin:
simulation
Author:
Atsushi Togo
Date Uploaded:
23/05/2023
Ab-initio phonon calculation for LiTi2(PO4)3 / R-3c (167) / materials id 18640
Description/Abstract:
Ab-initio phonon calculation for LiTi2(PO4)3 / R-3c (167) Phonon band structure, phonon DOS, thermal properties at constant volume, and p...
Keyword:
LiTi2(PO4)3
,
Phonon
, and
R-3c (167)
Resource Type:
Dataset
Data origin:
simulation
Author:
Atsushi Togo
Date Uploaded:
23/05/2023
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