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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
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Dataset
10,137
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MDR phonon calculation database
10,034
Lattice thermal conductivity calculation datasets for 103 binary compounds by finite displacement method
103
Keyword
Phonon
10,137
P2_1/c (14)
1,072
Pnma (62)
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10,137
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10,137
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Creative Commons BY Attribution 4.0 International
10,137
Data origin
simulation
10,034
simulations
103
Author
Atsushi Togo
10,137
Funder
MEXT
10,034
Software
VASP
10,137
phonopy
10,137
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10,137
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