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Ab-initio phonon calculation for AlBPbO4 / Pbcn (60) / materials id 558137
Description/Abstract:
Ab-initio phonon calculation for AlBPbO4 / Pbcn (60) Phonon band structure, phonon DOS, thermal properties at constant volume, and phonon...
Keyword:
AlBPbO4
,
Pbcn (60)
, and
Phonon
Resource Type:
Dataset
Data origin:
simulation
Author:
Atsushi Togo
Date Uploaded:
15/05/2023
Ab-initio phonon calculation for RbErSeCl2O3 / P2_1/c (14) / materials id 557019
Description/Abstract:
Ab-initio phonon calculation for RbErSeCl2O3 / P2_1/c (14) Phonon band structure, phonon DOS, thermal properties at constant volume, and ...
Keyword:
P2_1/c (14)
,
Phonon
, and
RbErSeCl2O3
Resource Type:
Dataset
Data origin:
simulation
Author:
Atsushi Togo
Date Uploaded:
15/05/2023
Ab-initio phonon calculation for CaTiO3 / I4/mcm (140) / materials id 3442
Description/Abstract:
Ab-initio phonon calculation for CaTiO3 / I4/mcm (140) Phonon band structure, phonon DOS, thermal properties at constant volume, and phon...
Keyword:
CaTiO3
,
I4/mcm (140)
, and
Phonon
Resource Type:
Dataset
Data origin:
simulation
Author:
Atsushi Togo
Date Uploaded:
15/05/2023
Ab-initio phonon calculation for Cd4GeS6 / Cc (9) / materials id 5151
Description/Abstract:
Ab-initio phonon calculation for Cd4GeS6 / Cc (9) Phonon band structure, phonon DOS, thermal properties at constant volume, and phonon ra...
Keyword:
Cc (9)
,
Cd4GeS6
, and
Phonon
Resource Type:
Dataset
Data origin:
simulation
Author:
Atsushi Togo
Date Uploaded:
15/05/2023
Ab-initio phonon calculation for KSbF6 / Ia-3 (206) / materials id 541908
Description/Abstract:
Ab-initio phonon calculation for KSbF6 / Ia-3 (206) Phonon band structure, phonon DOS, thermal properties at constant volume, and phonon ...
Keyword:
Ia-3 (206)
,
KSbF6
, and
Phonon
Resource Type:
Dataset
Data origin:
simulation
Author:
Atsushi Togo
Date Uploaded:
15/05/2023
Ab-initio phonon calculation for ThF4 / C2/c (15) / materials id 31034
Description/Abstract:
Ab-initio phonon calculation for ThF4 / C2/c (15) Phonon band structure, phonon DOS, thermal properties at constant volume, and phonon ra...
Keyword:
C2/c (15)
,
Phonon
, and
ThF4
Resource Type:
Dataset
Data origin:
simulation
Author:
Atsushi Togo
Date Uploaded:
15/05/2023
Ab-initio phonon calculation for LaF3 / P-3c1 (165) / materials id 905
Description/Abstract:
Ab-initio phonon calculation for LaF3 / P-3c1 (165) Phonon band structure, phonon DOS, thermal properties at constant volume, and phonon ...
Keyword:
LaF3
,
P-3c1 (165)
, and
Phonon
Resource Type:
Dataset
Data origin:
simulation
Author:
Atsushi Togo
Date Uploaded:
15/05/2023
Ab-initio phonon calculation for LaWN3 / P2_1/m (11) / materials id 989646
Description/Abstract:
Ab-initio phonon calculation for LaWN3 / P2_1/m (11) Phonon band structure, phonon DOS, thermal properties at constant volume, and phonon...
Keyword:
LaWN3
,
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 Pb(IO3)2 / Pbcn (60) / materials id 28857
Description/Abstract:
Ab-initio phonon calculation for Pb(IO3)2 / Pbcn (60) Phonon band structure, phonon DOS, thermal properties at constant volume, and phono...
Keyword:
Pb(IO3)2
,
Pbcn (60)
, and
Phonon
Resource Type:
Dataset
Data origin:
simulation
Author:
Atsushi Togo
Date Uploaded:
15/05/2023
Ab-initio phonon calculation for Ag2HgI4 / I-4 (82) / materials id 23485
Description/Abstract:
Ab-initio phonon calculation for Ag2HgI4 / I-4 (82) Phonon band structure, phonon DOS, thermal properties at constant volume, and phonon ...
Keyword:
Ag2HgI4
,
I-4 (82)
, and
Phonon
Resource Type:
Dataset
Data origin:
simulation
Author:
Atsushi Togo
Date Uploaded:
15/05/2023
Ab-initio phonon calculation for Ba5Hf4S13 / I4/mmm (139) / materials id 557032
Description/Abstract:
Ab-initio phonon calculation for Ba5Hf4S13 / I4/mmm (139) Phonon band structure, phonon DOS, thermal properties at constant volume, and p...
Keyword:
Ba5Hf4S13
,
I4/mmm (139)
, and
Phonon
Resource Type:
Dataset
Data origin:
simulation
Author:
Atsushi Togo
Date Uploaded:
15/05/2023
Ab-initio phonon calculation for Nd2SO2 / P-3m1 (164) / materials id 3211
Description/Abstract:
Ab-initio phonon calculation for Nd2SO2 / P-3m1 (164) Phonon band structure, phonon DOS, thermal properties at constant volume, and phono...
Keyword:
Nd2SO2
,
P-3m1 (164)
, and
Phonon
Resource Type:
Dataset
Data origin:
simulation
Author:
Atsushi Togo
Date Uploaded:
15/05/2023
Ab-initio phonon calculation for CaAsH5O6 / Cc (9) / materials id 24120
Description/Abstract:
Ab-initio phonon calculation for CaAsH5O6 / Cc (9) Phonon band structure, phonon DOS, thermal properties at constant volume, and phonon r...
Keyword:
CaAsH5O6
,
Cc (9)
, and
Phonon
Resource Type:
Dataset
Data origin:
simulation
Author:
Atsushi Togo
Date Uploaded:
15/05/2023
Ab-initio phonon calculation for NaAlSe2 / I4/mcm (140) / materials id 10166
Description/Abstract:
Ab-initio phonon calculation for NaAlSe2 / I4/mcm (140) Phonon band structure, phonon DOS, thermal properties at constant volume, and pho...
Keyword:
I4/mcm (140)
,
NaAlSe2
, and
Phonon
Resource Type:
Dataset
Data origin:
simulation
Author:
Atsushi Togo
Date Uploaded:
15/05/2023
Ab-initio phonon calculation for Ba3Bi2TeO9 / P-3c1 (165) / materials id 556407
Description/Abstract:
Ab-initio phonon calculation for Ba3Bi2TeO9 / P-3c1 (165) Phonon band structure, phonon DOS, thermal properties at constant volume, and p...
Keyword:
Ba3Bi2TeO9
,
P-3c1 (165)
, and
Phonon
Resource Type:
Dataset
Data origin:
simulation
Author:
Atsushi Togo
Date Uploaded:
15/05/2023
Ab-initio phonon calculation for Sr6Sb6S17 / P2_12_12_1 (19) / materials id 16061
Description/Abstract:
Ab-initio phonon calculation for Sr6Sb6S17 / P2_12_12_1 (19) Phonon band structure, phonon DOS, thermal properties at constant volume, an...
Keyword:
P2_12_12_1 (19)
,
Phonon
, and
Sr6Sb6S17
Resource Type:
Dataset
Data origin:
simulation
Author:
Atsushi Togo
Date Uploaded:
15/05/2023
Ab-initio phonon calculation for NaYCO3F2 / Pnma (62) / materials id 558160
Description/Abstract:
Ab-initio phonon calculation for NaYCO3F2 / Pnma (62) Phonon band structure, phonon DOS, thermal properties at constant volume, and phono...
Keyword:
NaYCO3F2
,
Phonon
, and
Pnma (62)
Resource Type:
Dataset
Data origin:
simulation
Author:
Atsushi Togo
Date Uploaded:
15/05/2023
Ab-initio phonon calculation for Cs2SnAs2 / Ibam (72) / materials id 8934
Description/Abstract:
Ab-initio phonon calculation for Cs2SnAs2 / Ibam (72) Phonon band structure, phonon DOS, thermal properties at constant volume, and phono...
Keyword:
Cs2SnAs2
,
Ibam (72)
, and
Phonon
Resource Type:
Dataset
Data origin:
simulation
Author:
Atsushi Togo
Date Uploaded:
15/05/2023
Ab-initio phonon calculation for Si3Cl8 / F-43c (219) / materials id 27189
Description/Abstract:
Ab-initio phonon calculation for Si3Cl8 / F-43c (219) Phonon band structure, phonon DOS, thermal properties at constant volume, and phono...
Keyword:
F-43c (219)
,
Phonon
, and
Si3Cl8
Resource Type:
Dataset
Data origin:
simulation
Author:
Atsushi Togo
Date Uploaded:
15/05/2023
Ab-initio phonon calculation for Ga2PbO4 / Ama2 (40) / materials id 20496
Description/Abstract:
Ab-initio phonon calculation for Ga2PbO4 / Ama2 (40) Phonon band structure, phonon DOS, thermal properties at constant volume, and phonon...
Keyword:
Ama2 (40)
,
Ga2PbO4
, and
Phonon
Resource Type:
Dataset
Data origin:
simulation
Author:
Atsushi Togo
Date Uploaded:
15/05/2023
Ab-initio phonon calculation for Na2Be(SiO3)2 / Fdd2 (43) / materials id 556013
Description/Abstract:
Ab-initio phonon calculation for Na2Be(SiO3)2 / Fdd2 (43) Phonon band structure, phonon DOS, thermal properties at constant volume, and p...
Keyword:
Fdd2 (43)
,
Na2Be(SiO3)2
, and
Phonon
Resource Type:
Dataset
Data origin:
simulation
Author:
Atsushi Togo
Date Uploaded:
15/05/2023
Ab-initio phonon calculation for KGe2(PO4)3 / R-3 (148) / materials id 18203
Description/Abstract:
Ab-initio phonon calculation for KGe2(PO4)3 / R-3 (148) Phonon band structure, phonon DOS, thermal properties at constant volume, and pho...
Keyword:
KGe2(PO4)3
,
Phonon
, and
R-3 (148)
Resource Type:
Dataset
Data origin:
simulation
Author:
Atsushi Togo
Date Uploaded:
15/05/2023
Ab-initio phonon calculation for NaGaH8(NF3)2 / Fm-3m (225) / materials id 865095
Description/Abstract:
Ab-initio phonon calculation for NaGaH8(NF3)2 / Fm-3m (225) Phonon band structure, phonon DOS, thermal properties at constant volume, and...
Keyword:
Fm-3m (225)
,
NaGaH8(NF3)2
, and
Phonon
Resource Type:
Dataset
Data origin:
simulation
Author:
Atsushi Togo
Date Uploaded:
15/05/2023
Ab-initio phonon calculation for P3Pb5O12F / P6_3/m (176) / materials id 21554
Description/Abstract:
Ab-initio phonon calculation for P3Pb5O12F / P6_3/m (176) Phonon band structure, phonon DOS, thermal properties at constant volume, and p...
Keyword:
P3Pb5O12F
,
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 RbEr3F10 / P6_3mc (186) / materials id 555932
Description/Abstract:
Ab-initio phonon calculation for RbEr3F10 / P6_3mc (186) Phonon band structure, phonon DOS, thermal properties at constant volume, and ph...
Keyword:
P6_3mc (186)
,
Phonon
, and
RbEr3F10
Resource Type:
Dataset
Data origin:
simulation
Author:
Atsushi Togo
Date Uploaded:
15/05/2023
Ab-initio phonon calculation for Ba3In2O5F2 / I4/mmm (139) / materials id 21445
Description/Abstract:
Ab-initio phonon calculation for Ba3In2O5F2 / I4/mmm (139) Phonon band structure, phonon DOS, thermal properties at constant volume, and ...
Keyword:
Ba3In2O5F2
,
I4/mmm (139)
, and
Phonon
Resource Type:
Dataset
Data origin:
simulation
Author:
Atsushi Togo
Date Uploaded:
15/05/2023
Ab-initio phonon calculation for SiO2 / P4/mcc (124) / materials id 600006
Description/Abstract:
Ab-initio phonon calculation for SiO2 / P4/mcc (124) Phonon band structure, phonon DOS, thermal properties at constant volume, and phonon...
Keyword:
P4/mcc (124)
,
Phonon
, and
SiO2
Resource Type:
Dataset
Data origin:
simulation
Author:
Atsushi Togo
Date Uploaded:
15/05/2023
Ab-initio phonon calculation for NaTi2Ga5O12 / Pbam (55) / materials id 554441
Description/Abstract:
Ab-initio phonon calculation for NaTi2Ga5O12 / Pbam (55) Phonon band structure, phonon DOS, thermal properties at constant volume, and ph...
Keyword:
NaTi2Ga5O12
,
Pbam (55)
, and
Phonon
Resource Type:
Dataset
Data origin:
simulation
Author:
Atsushi Togo
Date Uploaded:
15/05/2023
Ab-initio phonon calculation for KNaTiO3 / C2/c (15) / materials id 560767
Description/Abstract:
Ab-initio phonon calculation for KNaTiO3 / C2/c (15) Phonon band structure, phonon DOS, thermal properties at constant volume, and phonon...
Keyword:
C2/c (15)
,
KNaTiO3
, and
Phonon
Resource Type:
Dataset
Data origin:
simulation
Author:
Atsushi Togo
Date Uploaded:
15/05/2023
Ab-initio phonon calculation for AlN / F-43m (216) / materials id 1700
Description/Abstract:
Ab-initio phonon calculation for AlN / F-43m (216) Phonon band structure, phonon DOS, thermal properties at constant volume, and phonon r...
Keyword:
AlN
,
F-43m (216)
, 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 23963
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 KClO3 / Pnma (62) / materials id 556084
Description/Abstract:
Ab-initio phonon calculation for KClO3 / Pnma (62) Phonon band structure, phonon DOS, thermal properties at constant volume, and phonon r...
Keyword:
KClO3
,
Phonon
, and
Pnma (62)
Resource Type:
Dataset
Data origin:
simulation
Author:
Atsushi Togo
Date Uploaded:
15/05/2023
Ab-initio phonon calculation for CdI2 / P3m1 (156) / materials id 571646
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 HfPbO3 / Pm-3m (221) / materials id 22535
Description/Abstract:
Ab-initio phonon calculation for HfPbO3 / Pm-3m (221) Phonon band structure, phonon DOS, thermal properties at constant volume, and phono...
Keyword:
HfPbO3
,
Phonon
, and
Pm-3m (221)
Resource Type:
Dataset
Data origin:
simulation
Author:
Atsushi Togo
Date Uploaded:
15/05/2023
Ab-initio phonon calculation for RbAlO2 / Fd-3m (227) / materials id 14070
Description/Abstract:
Ab-initio phonon calculation for RbAlO2 / Fd-3m (227) Phonon band structure, phonon DOS, thermal properties at constant volume, and phono...
Keyword:
Fd-3m (227)
,
Phonon
, and
RbAlO2
Resource Type:
Dataset
Data origin:
simulation
Author:
Atsushi Togo
Date Uploaded:
15/05/2023
Ab-initio phonon calculation for KCaCO3F / P-6m2 (187) / materials id 6867
Description/Abstract:
Ab-initio phonon calculation for KCaCO3F / P-6m2 (187) Phonon band structure, phonon DOS, thermal properties at constant volume, and phon...
Keyword:
KCaCO3F
,
P-6m2 (187)
, and
Phonon
Resource Type:
Dataset
Data origin:
simulation
Author:
Atsushi Togo
Date Uploaded:
15/05/2023
Ab-initio phonon calculation for RbLaS2 / R-3m (166) / materials id 9361
Description/Abstract:
Ab-initio phonon calculation for RbLaS2 / R-3m (166) Phonon band structure, phonon DOS, thermal properties at constant volume, and phonon...
Keyword:
Phonon
,
R-3m (166)
, and
RbLaS2
Resource Type:
Dataset
Data origin:
simulation
Author:
Atsushi Togo
Date Uploaded:
15/05/2023
Ab-initio phonon calculation for KAlH6(OF3)2 / Pa-3 (205) / materials id 723378
Description/Abstract:
Ab-initio phonon calculation for KAlH6(OF3)2 / Pa-3 (205) Phonon band structure, phonon DOS, thermal properties at constant volume, and p...
Keyword:
KAlH6(OF3)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 Sr2BN2Cl / Pnma (62) / materials id 23131
Description/Abstract:
Ab-initio phonon calculation for Sr2BN2Cl / Pnma (62) Phonon band structure, phonon DOS, thermal properties at constant volume, and phono...
Keyword:
Phonon
,
Pnma (62)
, and
Sr2BN2Cl
Resource Type:
Dataset
Data origin:
simulation
Author:
Atsushi Togo
Date Uploaded:
15/05/2023
Ab-initio phonon calculation for Rb2NaZn2H5(C2O7)2 / P2_1/c (14) / materials id 766230
Description/Abstract:
Ab-initio phonon calculation for Rb2NaZn2H5(C2O7)2 / P2_1/c (14) Phonon band structure, phonon DOS, thermal properties at constant volume...
Keyword:
P2_1/c (14)
,
Phonon
, and
Rb2NaZn2H5(C2O7)2
Resource Type:
Dataset
Data origin:
simulation
Author:
Atsushi Togo
Date Uploaded:
15/05/2023
Ab-initio phonon calculation for PbI2 / P3m1 (156) / materials id 567178
Description/Abstract:
Ab-initio phonon calculation for PbI2 / P3m1 (156) Phonon band structure, phonon DOS, thermal properties at constant volume, and phonon r...
Keyword:
P3m1 (156)
,
PbI2
, and
Phonon
Resource Type:
Dataset
Data origin:
simulation
Author:
Atsushi Togo
Date Uploaded:
15/05/2023
Ab-initio phonon calculation for CdSeO4 / Pnma (62) / materials id 779156
Description/Abstract:
Ab-initio phonon calculation for CdSeO4 / Pnma (62) Phonon band structure, phonon DOS, thermal properties at constant volume, and phonon ...
Keyword:
CdSeO4
,
Phonon
, and
Pnma (62)
Resource Type:
Dataset
Data origin:
simulation
Author:
Atsushi Togo
Date Uploaded:
15/05/2023
Ab-initio phonon calculation for KAlH4 / I4_1/a (88) / materials id 644486
Description/Abstract:
Ab-initio phonon calculation for KAlH4 / I4_1/a (88) Phonon band structure, phonon DOS, thermal properties at constant volume, and phonon...
Keyword:
I4_1/a (88)
,
KAlH4
, and
Phonon
Resource Type:
Dataset
Data origin:
simulation
Author:
Atsushi Togo
Date Uploaded:
15/05/2023
Ab-initio phonon calculation for Sr(SbO3)2 / P-31m (162) / materials id 9126
Description/Abstract:
Ab-initio phonon calculation for Sr(SbO3)2 / P-31m (162) Phonon band structure, phonon DOS, thermal properties at constant volume, and ph...
Keyword:
P-31m (162)
,
Phonon
, and
Sr(SbO3)2
Resource Type:
Dataset
Data origin:
simulation
Author:
Atsushi Togo
Date Uploaded:
15/05/2023
Ab-initio phonon calculation for CuBr / F-43m (216) / materials id 22913
Description/Abstract:
Ab-initio phonon calculation for CuBr / F-43m (216) Phonon band structure, phonon DOS, thermal properties at constant volume, and phonon ...
Keyword:
CuBr
,
F-43m (216)
, and
Phonon
Resource Type:
Dataset
Data origin:
simulation
Author:
Atsushi Togo
Date Uploaded:
15/05/2023
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
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6
2022
3
2012
1
2021
1
Date
2014
16
2011
10
2002
5
2019
1
2020
1
Creator
TODOROKI, Shin-ichi
16
National Institute for Materials Science
2
Author
Atsushi Togo
10,137
National Institute for Materials Science
69
UEDA, Shigenori
24
YOSHIKAWA, Hideki
9
NAGATA, Takahiro
8
more
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
more
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 (JSPS)
1
RIKEN
1
文部科学省
1
Software
VASP
10,137
phonopy
10,137
spglib
10,137
phono3py
103
CASTEP
1
more
Softwares
»
Journal
Physical Chemistry Chemical Physics
2
CrystEngComm
1
Journal of Surface Analysis
1
Materials & Design
1
Science and Technology of Advanced Materials
1
more
Journals
»