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Ab-initio phonon calculation for Li3AlF6 / C2/c (15) / materials id 15254
Description/Abstract:
Ab-initio phonon calculation for Li3AlF6 / C2/c (15) Phonon band structure, phonon DOS, thermal properties at constant volume, and phonon...
Keyword:
C2/c (15)
,
Li3AlF6
, and
Phonon
Resource Type:
Dataset
Data origin:
simulation
Author:
Atsushi Togo
Date Uploaded:
15/05/2023
Ab-initio phonon calculation for RbYO2 / R-3m (166) / materials id 14437
Description/Abstract:
Ab-initio phonon calculation for RbYO2 / R-3m (166) Phonon band structure, phonon DOS, thermal properties at constant volume, and phonon ...
Keyword:
Phonon
,
R-3m (166)
, and
RbYO2
Resource Type:
Dataset
Data origin:
simulation
Author:
Atsushi Togo
Date Uploaded:
15/05/2023
Ab-initio phonon calculation for Cs2Li3Br5 / C2/m (12) / materials id 571409
Description/Abstract:
Ab-initio phonon calculation for Cs2Li3Br5 / C2/m (12) Phonon band structure, phonon DOS, thermal properties at constant volume, and phon...
Keyword:
C2/m (12)
,
Cs2Li3Br5
, and
Phonon
Resource Type:
Dataset
Data origin:
simulation
Author:
Atsushi Togo
Date Uploaded:
15/05/2023
Ab-initio phonon calculation for NbAlFe2 / Fm-3m (225) / materials id 865280
Description/Abstract:
Ab-initio phonon calculation for NbAlFe2 / Fm-3m (225) Phonon band structure, phonon DOS, thermal properties at constant volume, and phon...
Keyword:
Fm-3m (225)
,
NbAlFe2
, and
Phonon
Resource Type:
Dataset
Data origin:
simulation
Author:
Atsushi Togo
Date Uploaded:
15/05/2023
Ab-initio phonon calculation for RbHoSe2 / R-3m (166) / materials id 10783
Description/Abstract:
Ab-initio phonon calculation for RbHoSe2 / R-3m (166) Phonon band structure, phonon DOS, thermal properties at constant volume, and phono...
Keyword:
Phonon
,
R-3m (166)
, and
RbHoSe2
Resource Type:
Dataset
Data origin:
simulation
Author:
Atsushi Togo
Date Uploaded:
15/05/2023
Ab-initio phonon calculation for WN2 / P3_121 (152) / materials id 754629
Description/Abstract:
Ab-initio phonon calculation for WN2 / P3_121 (152) Phonon band structure, phonon DOS, thermal properties at constant volume, and phonon ...
Keyword:
P3_121 (152)
,
Phonon
, and
WN2
Resource Type:
Dataset
Data origin:
simulation
Author:
Atsushi Togo
Date Uploaded:
15/05/2023
Ab-initio phonon calculation for Al10Ge2O19 / Cmc2_1 (36) / materials id 28499
Description/Abstract:
Ab-initio phonon calculation for Al10Ge2O19 / Cmc2_1 (36) Phonon band structure, phonon DOS, thermal properties at constant volume, and p...
Keyword:
Al10Ge2O19
,
Cmc2_1 (36)
, and
Phonon
Resource Type:
Dataset
Data origin:
simulation
Author:
Atsushi Togo
Date Uploaded:
15/05/2023
Ab-initio phonon calculation for Li3BiS3 / R3c (161) / materials id 753677
Description/Abstract:
Ab-initio phonon calculation for Li3BiS3 / R3c (161) Phonon band structure, phonon DOS, thermal properties at constant volume, and phonon...
Keyword:
Li3BiS3
,
Phonon
, and
R3c (161)
Resource Type:
Dataset
Data origin:
simulation
Author:
Atsushi Togo
Date Uploaded:
15/05/2023
Ab-initio phonon calculation for K2ScSi4O10F / I4/m (87) / materials id 557777
Description/Abstract:
Ab-initio phonon calculation for K2ScSi4O10F / I4/m (87) Phonon band structure, phonon DOS, thermal properties at constant volume, and ph...
Keyword:
I4/m (87)
,
K2ScSi4O10F
, and
Phonon
Resource Type:
Dataset
Data origin:
simulation
Author:
Atsushi Togo
Date Uploaded:
15/05/2023
Ab-initio phonon calculation for BaDy2ZnO5 / Pnma (62) / materials id 6643
Description/Abstract:
Ab-initio phonon calculation for BaDy2ZnO5 / Pnma (62) Phonon band structure, phonon DOS, thermal properties at constant volume, and phon...
Keyword:
BaDy2ZnO5
,
Phonon
, and
Pnma (62)
Resource Type:
Dataset
Data origin:
simulation
Author:
Atsushi Togo
Date Uploaded:
15/05/2023
Ab-initio phonon calculation for ZnTe6O13 / R-3 (148) / materials id 560198
Description/Abstract:
Ab-initio phonon calculation for ZnTe6O13 / R-3 (148) Phonon band structure, phonon DOS, thermal properties at constant volume, and phono...
Keyword:
Phonon
,
R-3 (148)
, and
ZnTe6O13
Resource Type:
Dataset
Data origin:
simulation
Author:
Atsushi Togo
Date Uploaded:
15/05/2023
Ab-initio phonon calculation for CaZnAsHO5 / P2_12_12_1 (19) / materials id 24018
Description/Abstract:
Ab-initio phonon calculation for CaZnAsHO5 / P2_12_12_1 (19) Phonon band structure, phonon DOS, thermal properties at constant volume, an...
Keyword:
CaZnAsHO5
,
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 Na4Cu2S3 / I4_1/a (88) / materials id 28789
Description/Abstract:
Ab-initio phonon calculation for Na4Cu2S3 / I4_1/a (88) Phonon band structure, phonon DOS, thermal properties at constant volume, and pho...
Keyword:
I4_1/a (88)
,
Na4Cu2S3
, and
Phonon
Resource Type:
Dataset
Data origin:
simulation
Author:
Atsushi Togo
Date Uploaded:
15/05/2023
Ab-initio phonon calculation for TaPS6 / I4_1/acd (142) / materials id 27673
Description/Abstract:
Ab-initio phonon calculation for TaPS6 / I4_1/acd (142) Phonon band structure, phonon DOS, thermal properties at constant volume, and pho...
Keyword:
I4_1/acd (142)
,
Phonon
, and
TaPS6
Resource Type:
Dataset
Data origin:
simulation
Author:
Atsushi Togo
Date Uploaded:
15/05/2023
Ab-initio phonon calculation for Na2PdCl4 / P4/ncc (130) / materials id 29359
Description/Abstract:
Ab-initio phonon calculation for Na2PdCl4 / P4/ncc (130) Phonon band structure, phonon DOS, thermal properties at constant volume, and ph...
Keyword:
Na2PdCl4
,
P4/ncc (130)
, and
Phonon
Resource Type:
Dataset
Data origin:
simulation
Author:
Atsushi Togo
Date Uploaded:
15/05/2023
Ab-initio phonon calculation for CsLaS2 / R-3m (166) / materials id 561586
Description/Abstract:
Ab-initio phonon calculation for CsLaS2 / R-3m (166) Phonon band structure, phonon DOS, thermal properties at constant volume, and phonon...
Keyword:
CsLaS2
,
Phonon
, and
R-3m (166)
Resource Type:
Dataset
Data origin:
simulation
Author:
Atsushi Togo
Date Uploaded:
15/05/2023
Ab-initio phonon calculation for Cs2NaInCl6 / Fm-3m (225) / materials id 989571
Description/Abstract:
Ab-initio phonon calculation for Cs2NaInCl6 / Fm-3m (225) Phonon band structure, phonon DOS, thermal properties at constant volume, and p...
Keyword:
Cs2NaInCl6
,
Fm-3m (225)
, and
Phonon
Resource Type:
Dataset
Data origin:
simulation
Author:
Atsushi Togo
Date Uploaded:
15/05/2023
Ab-initio phonon calculation for Ba3Y(BO2)9 / P6_3/m (176) / materials id 559066
Description/Abstract:
Ab-initio phonon calculation for Ba3Y(BO2)9 / P6_3/m (176) Phonon band structure, phonon DOS, thermal properties at constant volume, and ...
Keyword:
Ba3Y(BO2)9
,
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 Ca3N2 / Ia-3 (206) / materials id 844
Description/Abstract:
Ab-initio phonon calculation for Ca3N2 / Ia-3 (206) Phonon band structure, phonon DOS, thermal properties at constant volume, and phonon ...
Keyword:
Ca3N2
,
Ia-3 (206)
, and
Phonon
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 CrSbSe3 / Pnma (62) / materials id 15236
Description/Abstract:
Ab-initio phonon calculation for CrSbSe3 / Pnma (62) Phonon band structure, phonon DOS, thermal properties at constant volume, and phonon...
Keyword:
CrSbSe3
,
Phonon
, and
Pnma (62)
Resource Type:
Dataset
Data origin:
simulation
Author:
Atsushi Togo
Date Uploaded:
15/05/2023
Ab-initio phonon calculation for NaYF4 / I4_1/amd (141) / materials id 34081
Description/Abstract:
Ab-initio phonon calculation for NaYF4 / I4_1/amd (141) Phonon band structure, phonon DOS, thermal properties at constant volume, and pho...
Keyword:
I4_1/amd (141)
,
NaYF4
, and
Phonon
Resource Type:
Dataset
Data origin:
simulation
Author:
Atsushi Togo
Date Uploaded:
15/05/2023
Ab-initio phonon calculation for LiGa5O8 / P4_332 (212) / materials id 28146
Description/Abstract:
Ab-initio phonon calculation for LiGa5O8 / P4_332 (212) Phonon band structure, phonon DOS, thermal properties at constant volume, and pho...
Keyword:
LiGa5O8
,
P4_332 (212)
, and
Phonon
Resource Type:
Dataset
Data origin:
simulation
Author:
Atsushi Togo
Date Uploaded:
15/05/2023
Ab-initio phonon calculation for RbBaTaS4 / Pnma (62) / materials id 867884
Description/Abstract:
Ab-initio phonon calculation for RbBaTaS4 / Pnma (62) Phonon band structure, phonon DOS, thermal properties at constant volume, and phono...
Keyword:
Phonon
,
Pnma (62)
, and
RbBaTaS4
Resource Type:
Dataset
Data origin:
simulation
Author:
Atsushi Togo
Date Uploaded:
15/05/2023
Ab-initio phonon calculation for ZnP2 / P4_32_12 (96) / materials id 11025
Description/Abstract:
Ab-initio phonon calculation for ZnP2 / P4_32_12 (96) Phonon band structure, phonon DOS, thermal properties at constant volume, and phono...
Keyword:
P4_32_12 (96)
,
Phonon
, and
ZnP2
Resource Type:
Dataset
Data origin:
simulation
Author:
Atsushi Togo
Date Uploaded:
15/05/2023
Ab-initio phonon calculation for K2TiSi3(HO5)2 / P2_12_12_1 (19) / materials id 758597
Description/Abstract:
Ab-initio phonon calculation for K2TiSi3(HO5)2 / P2_12_12_1 (19) Phonon band structure, phonon DOS, thermal properties at constant volume...
Keyword:
K2TiSi3(HO5)2
,
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 Zn2B2PbO6 / Pccn (56) / materials id 560471
Description/Abstract:
Ab-initio phonon calculation for Zn2B2PbO6 / Pccn (56) Phonon band structure, phonon DOS, thermal properties at constant volume, and phon...
Keyword:
Pccn (56)
,
Phonon
, and
Zn2B2PbO6
Resource Type:
Dataset
Data origin:
simulation
Author:
Atsushi Togo
Date Uploaded:
15/05/2023
Ab-initio phonon calculation for Pb13(Cl3O5)2 / C2/c (15) / materials id 561236
Description/Abstract:
Ab-initio phonon calculation for Pb13(Cl3O5)2 / C2/c (15) Phonon band structure, phonon DOS, thermal properties at constant volume, and p...
Keyword:
C2/c (15)
,
Pb13(Cl3O5)2
, and
Phonon
Resource Type:
Dataset
Data origin:
simulation
Author:
Atsushi Togo
Date Uploaded:
15/05/2023
Ab-initio phonon calculation for Na2SiF6 / P321 (150) / materials id 3775
Description/Abstract:
Ab-initio phonon calculation for Na2SiF6 / P321 (150) Phonon band structure, phonon DOS, thermal properties at constant volume, and phono...
Keyword:
Na2SiF6
,
P321 (150)
, and
Phonon
Resource Type:
Dataset
Data origin:
simulation
Author:
Atsushi Togo
Date Uploaded:
15/05/2023
Ab-initio phonon calculation for K2NaGaAs2 / Ibam (72) / materials id 9676
Description/Abstract:
Ab-initio phonon calculation for K2NaGaAs2 / Ibam (72) Phonon band structure, phonon DOS, thermal properties at constant volume, and phon...
Keyword:
Ibam (72)
,
K2NaGaAs2
, and
Phonon
Resource Type:
Dataset
Data origin:
simulation
Author:
Atsushi Togo
Date Uploaded:
15/05/2023
Ab-initio phonon calculation for RbP(HO2)2 / Fdd2 (43) / materials id 23667
Description/Abstract:
Ab-initio phonon calculation for RbP(HO2)2 / Fdd2 (43) Phonon band structure, phonon DOS, thermal properties at constant volume, and phon...
Keyword:
Fdd2 (43)
,
Phonon
, and
RbP(HO2)2
Resource Type:
Dataset
Data origin:
simulation
Author:
Atsushi Togo
Date Uploaded:
15/05/2023
Ab-initio phonon calculation for KGaP2O7 / P2_1/c (14) / materials id 18348
Description/Abstract:
Ab-initio phonon calculation for KGaP2O7 / P2_1/c (14) Phonon band structure, phonon DOS, thermal properties at constant volume, and phon...
Keyword:
KGaP2O7
,
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 HfO2 / P4_2/mnm (136) / materials id 776532
Description/Abstract:
Ab-initio phonon calculation for HfO2 / P4_2/mnm (136) Phonon band structure, phonon DOS, thermal properties at constant volume, and phon...
Keyword:
HfO2
,
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 Ca3Si2O7 / P2_1/c (14) / materials id 3932
Description/Abstract:
Ab-initio phonon calculation for Ca3Si2O7 / P2_1/c (14) Phonon band structure, phonon DOS, thermal properties at constant volume, and pho...
Keyword:
Ca3Si2O7
,
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 KSnS4 / P2_1/c (14) / materials id 541379
Description/Abstract:
Ab-initio phonon calculation for KSnS4 / P2_1/c (14) Phonon band structure, phonon DOS, thermal properties at constant volume, and phonon...
Keyword:
KSnS4
,
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 RbDyS2 / R-3m (166) / materials id 7046
Description/Abstract:
Ab-initio phonon calculation for RbDyS2 / R-3m (166) Phonon band structure, phonon DOS, thermal properties at constant volume, and phonon...
Keyword:
Phonon
,
R-3m (166)
, and
RbDyS2
Resource Type:
Dataset
Data origin:
simulation
Author:
Atsushi Togo
Date Uploaded:
15/05/2023
Ab-initio phonon calculation for ZnS / P3m1 (156) / materials id 554820
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 Na2SeO4 / Fddd (70) / materials id 5141
Description/Abstract:
Ab-initio phonon calculation for Na2SeO4 / Fddd (70) Phonon band structure, phonon DOS, thermal properties at constant volume, and phonon...
Keyword:
Fddd (70)
,
Na2SeO4
, and
Phonon
Resource Type:
Dataset
Data origin:
simulation
Author:
Atsushi Togo
Date Uploaded:
15/05/2023
Ab-initio phonon calculation for LiSi2N3 / Cmc2_1 (36) / materials id 5853
Description/Abstract:
Ab-initio phonon calculation for LiSi2N3 / Cmc2_1 (36) Phonon band structure, phonon DOS, thermal properties at constant volume, and phon...
Keyword:
Cmc2_1 (36)
,
LiSi2N3
, and
Phonon
Resource Type:
Dataset
Data origin:
simulation
Author:
Atsushi Togo
Date Uploaded:
15/05/2023
Ab-initio phonon calculation for KLaGeSe4 / P2_1 (4) / materials id 21097
Description/Abstract:
Ab-initio phonon calculation for KLaGeSe4 / P2_1 (4) Phonon band structure, phonon DOS, thermal properties at constant volume, and phonon...
Keyword:
KLaGeSe4
,
P2_1 (4)
, and
Phonon
Resource Type:
Dataset
Data origin:
simulation
Author:
Atsushi Togo
Date Uploaded:
15/05/2023
Ab-initio phonon calculation for Tl(IO3)3 / R-3 (148) / materials id 972032
Description/Abstract:
Ab-initio phonon calculation for Tl(IO3)3 / R-3 (148) Phonon band structure, phonon DOS, thermal properties at constant volume, and phono...
Keyword:
Phonon
,
R-3 (148)
, and
Tl(IO3)3
Resource Type:
Dataset
Data origin:
simulation
Author:
Atsushi Togo
Date Uploaded:
15/05/2023
Ab-initio phonon calculation for Th2SN2 / P-3m1 (164) / materials id 7769
Description/Abstract:
Ab-initio phonon calculation for Th2SN2 / P-3m1 (164) Phonon band structure, phonon DOS, thermal properties at constant volume, and phono...
Keyword:
P-3m1 (164)
,
Phonon
, and
Th2SN2
Resource Type:
Dataset
Data origin:
simulation
Author:
Atsushi Togo
Date Uploaded:
15/05/2023
Ab-initio phonon calculation for Cs2NaNF6 / Fm-3m (225) / materials id 989527
Description/Abstract:
Ab-initio phonon calculation for Cs2NaNF6 / Fm-3m (225) Phonon band structure, phonon DOS, thermal properties at constant volume, and pho...
Keyword:
Cs2NaNF6
,
Fm-3m (225)
, and
Phonon
Resource Type:
Dataset
Data origin:
simulation
Author:
Atsushi Togo
Date Uploaded:
15/05/2023
Ab-initio phonon calculation for Er2Hf2O7 / Fd-3m (227) / materials id 557890
Description/Abstract:
Ab-initio phonon calculation for Er2Hf2O7 / Fd-3m (227) Phonon band structure, phonon DOS, thermal properties at constant volume, and pho...
Keyword:
Er2Hf2O7
,
Fd-3m (227)
, and
Phonon
Resource Type:
Dataset
Data origin:
simulation
Author:
Atsushi Togo
Date Uploaded:
15/05/2023
Ab-initio phonon calculation for RbNd(PO3)4 / P2_1/c (14) / materials id 540611
Description/Abstract:
Ab-initio phonon calculation for RbNd(PO3)4 / P2_1/c (14) Phonon band structure, phonon DOS, thermal properties at constant volume, and p...
Keyword:
P2_1/c (14)
,
Phonon
, and
RbNd(PO3)4
Resource Type:
Dataset
Data origin:
simulation
Author:
Atsushi Togo
Date Uploaded:
15/05/2023
Ab-initio phonon calculation for Na5Y4Si4O16F / I-4 (82) / materials id 557696
Description/Abstract:
Ab-initio phonon calculation for Na5Y4Si4O16F / I-4 (82) Phonon band structure, phonon DOS, thermal properties at constant volume, and ph...
Keyword:
I-4 (82)
,
Na5Y4Si4O16F
, and
Phonon
Resource Type:
Dataset
Data origin:
simulation
Author:
Atsushi Togo
Date Uploaded:
15/05/2023
Ab-initio phonon calculation for K2TiO3 / Cmcm (63) / materials id 13133
Description/Abstract:
Ab-initio phonon calculation for K2TiO3 / Cmcm (63) Phonon band structure, phonon DOS, thermal properties at constant volume, and phonon ...
Keyword:
Cmcm (63)
,
K2TiO3
, and
Phonon
Resource Type:
Dataset
Data origin:
simulation
Author:
Atsushi Togo
Date Uploaded:
15/05/2023
Ab-initio phonon calculation for HgF / I4/mmm (139) / materials id 706
Description/Abstract:
Ab-initio phonon calculation for HgF / I4/mmm (139) Phonon band structure, phonon DOS, thermal properties at constant volume, and phonon ...
Keyword:
HgF
,
I4/mmm (139)
, and
Phonon
Resource Type:
Dataset
Data origin:
simulation
Author:
Atsushi Togo
Date Uploaded:
15/05/2023
Ab-initio phonon calculation for YZr5Si5PO24 / C222 (21) / materials id 532768
Description/Abstract:
Ab-initio phonon calculation for YZr5Si5PO24 / C222 (21) Phonon band structure, phonon DOS, thermal properties at constant volume, and ph...
Keyword:
C222 (21)
,
Phonon
, and
YZr5Si5PO24
Resource Type:
Dataset
Data origin:
simulation
Author:
Atsushi Togo
Date Uploaded:
15/05/2023
Ab-initio phonon calculation for SmSbO4 / P2_1/c (14) / materials id 13196
Description/Abstract:
Ab-initio phonon calculation for SmSbO4 / P2_1/c (14) Phonon band structure, phonon DOS, thermal properties at constant volume, and phono...
Keyword:
P2_1/c (14)
,
Phonon
, and
SmSbO4
Resource Type:
Dataset
Data origin:
simulation
Author:
Atsushi Togo
Date Uploaded:
15/05/2023
Ab-initio phonon calculation for TlCdBr3 / Pnma (62) / materials id 28219
Description/Abstract:
Ab-initio phonon calculation for TlCdBr3 / Pnma (62) Phonon band structure, phonon DOS, thermal properties at constant volume, and phonon...
Keyword:
Phonon
,
Pnma (62)
, and
TlCdBr3
Resource Type:
Dataset
Data origin:
simulation
Author:
Atsushi Togo
Date Uploaded:
15/05/2023
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
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10,034
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MDR phonon calculation database
10,034
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10,034
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10,034
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