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Ab-initio phonon calculation for K5YO4 / Pbca (61) / materials id 769262
Description/Abstract:
Ab-initio phonon calculation for K5YO4 / Pbca (61) Phonon band structure, phonon DOS, thermal properties at constant volume, and phonon r...
Keyword:
K5YO4
,
Pbca (61)
, and
Phonon
Resource Type:
Dataset
Data origin:
simulation
Author:
Atsushi Togo
Date Uploaded:
27/05/2023
Ab-initio phonon calculation for BaNa2(SiO3)2 / P2_1 (4) / materials id 556806
Description/Abstract:
Ab-initio phonon calculation for BaNa2(SiO3)2 / P2_1 (4) Phonon band structure, phonon DOS, thermal properties at constant volume, and ph...
Keyword:
BaNa2(SiO3)2
,
P2_1 (4)
, and
Phonon
Resource Type:
Dataset
Data origin:
simulation
Author:
Atsushi Togo
Date Uploaded:
27/05/2023
Ab-initio phonon calculation for ZnP2 / P2_1/c (14) / materials id 1392
Description/Abstract:
Ab-initio phonon calculation for ZnP2 / P2_1/c (14) Phonon band structure, phonon DOS, thermal properties at constant volume, and phonon ...
Keyword:
P2_1/c (14)
,
Phonon
, and
ZnP2
Resource Type:
Dataset
Data origin:
simulation
Author:
Atsushi Togo
Date Uploaded:
27/05/2023
Ab-initio phonon calculation for Ba2SmSbO6 / Fm-3m (225) / materials id 6037
Description/Abstract:
Ab-initio phonon calculation for Ba2SmSbO6 / Fm-3m (225) Phonon band structure, phonon DOS, thermal properties at constant volume, and ph...
Keyword:
Ba2SmSbO6
,
Fm-3m (225)
, and
Phonon
Resource Type:
Dataset
Data origin:
simulation
Author:
Atsushi Togo
Date Uploaded:
27/05/2023
Ab-initio phonon calculation for Na3VS4 / P-42_1c (114) / materials id 29143
Description/Abstract:
Ab-initio phonon calculation for Na3VS4 / P-42_1c (114) Phonon band structure, phonon DOS, thermal properties at constant volume, and pho...
Keyword:
Na3VS4
,
P-42_1c (114)
, and
Phonon
Resource Type:
Dataset
Data origin:
simulation
Author:
Atsushi Togo
Date Uploaded:
27/05/2023
Ab-initio phonon calculation for Nd2Be2SiO7 / P-42_1m (113) / materials id 9077
Description/Abstract:
Ab-initio phonon calculation for Nd2Be2SiO7 / P-42_1m (113) Phonon band structure, phonon DOS, thermal properties at constant volume, and...
Keyword:
Nd2Be2SiO7
,
P-42_1m (113)
, and
Phonon
Resource Type:
Dataset
Data origin:
simulation
Author:
Atsushi Togo
Date Uploaded:
27/05/2023
Ab-initio phonon calculation for Ba3Nb2ZnO9 / P-3m1 (164) / materials id 7249
Description/Abstract:
Ab-initio phonon calculation for Ba3Nb2ZnO9 / P-3m1 (164) Phonon band structure, phonon DOS, thermal properties at constant volume, and p...
Keyword:
Ba3Nb2ZnO9
,
P-3m1 (164)
, and
Phonon
Resource Type:
Dataset
Data origin:
simulation
Author:
Atsushi Togo
Date Uploaded:
27/05/2023
Ab-initio phonon calculation for InI / Cmcm (63) / materials id 23202
Description/Abstract:
Ab-initio phonon calculation for InI / Cmcm (63) Phonon band structure, phonon DOS, thermal properties at constant volume, and phonon raw...
Keyword:
Cmcm (63)
,
InI
, and
Phonon
Resource Type:
Dataset
Data origin:
simulation
Author:
Atsushi Togo
Date Uploaded:
27/05/2023
Ab-initio phonon calculation for Rb2Pd3S4 / Fmmm (69) / materials id 11695
Description/Abstract:
Ab-initio phonon calculation for Rb2Pd3S4 / Fmmm (69) Phonon band structure, phonon DOS, thermal properties at constant volume, and phono...
Keyword:
Fmmm (69)
,
Phonon
, and
Rb2Pd3S4
Resource Type:
Dataset
Data origin:
simulation
Author:
Atsushi Togo
Date Uploaded:
27/05/2023
Ab-initio phonon calculation for YbTb2S4 / I-42d (122) / materials id 673682
Description/Abstract:
Ab-initio phonon calculation for YbTb2S4 / I-42d (122) Phonon band structure, phonon DOS, thermal properties at constant volume, and phon...
Keyword:
I-42d (122)
,
Phonon
, and
YbTb2S4
Resource Type:
Dataset
Data origin:
simulation
Author:
Atsushi Togo
Date Uploaded:
27/05/2023
Ab-initio phonon calculation for Ba2Mg3H10 / C2/m (12) / materials id 733604
Description/Abstract:
Ab-initio phonon calculation for Ba2Mg3H10 / C2/m (12) Phonon band structure, phonon DOS, thermal properties at constant volume, and phon...
Keyword:
Ba2Mg3H10
,
C2/m (12)
, and
Phonon
Resource Type:
Dataset
Data origin:
simulation
Author:
Atsushi Togo
Date Uploaded:
27/05/2023
Ab-initio phonon calculation for Cd2PCl2 / P2_1/c (14) / materials id 31276
Description/Abstract:
Ab-initio phonon calculation for Cd2PCl2 / P2_1/c (14) Phonon band structure, phonon DOS, thermal properties at constant volume, and phon...
Keyword:
Cd2PCl2
,
P2_1/c (14)
, and
Phonon
Resource Type:
Dataset
Data origin:
simulation
Author:
Atsushi Togo
Date Uploaded:
27/05/2023
Ab-initio phonon calculation for SbAsO3 / P2_1/c (14) / materials id 28109
Description/Abstract:
Ab-initio phonon calculation for SbAsO3 / P2_1/c (14) Phonon band structure, phonon DOS, thermal properties at constant volume, and phono...
Keyword:
P2_1/c (14)
,
Phonon
, and
SbAsO3
Resource Type:
Dataset
Data origin:
simulation
Author:
Atsushi Togo
Date Uploaded:
27/05/2023
Ab-initio phonon calculation for NaLiSiB3HO8 / P2_1/c (14) / materials id 558267
Description/Abstract:
Ab-initio phonon calculation for NaLiSiB3HO8 / P2_1/c (14) Phonon band structure, phonon DOS, thermal properties at constant volume, and ...
Keyword:
NaLiSiB3HO8
,
P2_1/c (14)
, and
Phonon
Resource Type:
Dataset
Data origin:
simulation
Author:
Atsushi Togo
Date Uploaded:
27/05/2023
Ab-initio phonon calculation for SrCaSi / Pnma (62) / materials id 7084
Description/Abstract:
Ab-initio phonon calculation for SrCaSi / Pnma (62) Phonon band structure, phonon DOS, thermal properties at constant volume, and phonon ...
Keyword:
Phonon
,
Pnma (62)
, and
SrCaSi
Resource Type:
Dataset
Data origin:
simulation
Author:
Atsushi Togo
Date Uploaded:
27/05/2023
Ab-initio phonon calculation for Ba2SrI6 / Pbcn (60) / materials id 756624
Description/Abstract:
Ab-initio phonon calculation for Ba2SrI6 / Pbcn (60) Phonon band structure, phonon DOS, thermal properties at constant volume, and phonon...
Keyword:
Ba2SrI6
,
Pbcn (60)
, and
Phonon
Resource Type:
Dataset
Data origin:
simulation
Author:
Atsushi Togo
Date Uploaded:
27/05/2023
Ab-initio phonon calculation for KLa5(CCl5)2 / P2_1/c (14) / materials id 571240
Description/Abstract:
Ab-initio phonon calculation for KLa5(CCl5)2 / P2_1/c (14) Phonon band structure, phonon DOS, thermal properties at constant volume, and ...
Keyword:
KLa5(CCl5)2
,
P2_1/c (14)
, and
Phonon
Resource Type:
Dataset
Data origin:
simulation
Author:
Atsushi Togo
Date Uploaded:
27/05/2023
Ab-initio phonon calculation for LiYF4 / I4_1/a (88) / materials id 3700
Description/Abstract:
Ab-initio phonon calculation for LiYF4 / I4_1/a (88) Phonon band structure, phonon DOS, thermal properties at constant volume, and phonon...
Keyword:
I4_1/a (88)
,
LiYF4
, and
Phonon
Resource Type:
Dataset
Data origin:
simulation
Author:
Atsushi Togo
Date Uploaded:
27/05/2023
Ab-initio phonon calculation for Na6Ti2O7 / P2/c (13) / materials id 778364
Description/Abstract:
Ab-initio phonon calculation for Na6Ti2O7 / P2/c (13) Phonon band structure, phonon DOS, thermal properties at constant volume, and phono...
Keyword:
Na6Ti2O7
,
P2/c (13)
, and
Phonon
Resource Type:
Dataset
Data origin:
simulation
Author:
Atsushi Togo
Date Uploaded:
27/05/2023
Ab-initio phonon calculation for Ba2Si5N8 / Pmn2_1 (31) / materials id 9711
Description/Abstract:
Ab-initio phonon calculation for Ba2Si5N8 / Pmn2_1 (31) Phonon band structure, phonon DOS, thermal properties at constant volume, and pho...
Keyword:
Ba2Si5N8
,
Phonon
, and
Pmn2_1 (31)
Resource Type:
Dataset
Data origin:
simulation
Author:
Atsushi Togo
Date Uploaded:
27/05/2023
Ab-initio phonon calculation for CdSnO3 / Pnma (62) / materials id 849371
Description/Abstract:
Ab-initio phonon calculation for CdSnO3 / Pnma (62) Phonon band structure, phonon DOS, thermal properties at constant volume, and phonon ...
Keyword:
CdSnO3
,
Phonon
, and
Pnma (62)
Resource Type:
Dataset
Data origin:
simulation
Author:
Atsushi Togo
Date Uploaded:
27/05/2023
Ab-initio phonon calculation for Ba3Ta6(Si2O13)2 / P-62m (189) / materials id 6169
Description/Abstract:
Ab-initio phonon calculation for Ba3Ta6(Si2O13)2 / P-62m (189) Phonon band structure, phonon DOS, thermal properties at constant volume, ...
Keyword:
Ba3Ta6(Si2O13)2
,
P-62m (189)
, and
Phonon
Resource Type:
Dataset
Data origin:
simulation
Author:
Atsushi Togo
Date Uploaded:
27/05/2023
Ab-initio phonon calculation for Mg(HO)2 / C2 (5) / materials id 626143
Description/Abstract:
Ab-initio phonon calculation for Mg(HO)2 / C2 (5) Phonon band structure, phonon DOS, thermal properties at constant volume, and phonon ra...
Keyword:
C2 (5)
,
Mg(HO)2
, and
Phonon
Resource Type:
Dataset
Data origin:
simulation
Author:
Atsushi Togo
Date Uploaded:
27/05/2023
Ab-initio phonon calculation for Na2Hg3S4 / Pbca (61) / materials id 505121
Description/Abstract:
Ab-initio phonon calculation for Na2Hg3S4 / Pbca (61) Phonon band structure, phonon DOS, thermal properties at constant volume, and phono...
Keyword:
Na2Hg3S4
,
Pbca (61)
, and
Phonon
Resource Type:
Dataset
Data origin:
simulation
Author:
Atsushi Togo
Date Uploaded:
27/05/2023
Ab-initio phonon calculation for Ba2Ge2Te5 / Pna2_1 (33) / materials id 17885
Description/Abstract:
Ab-initio phonon calculation for Ba2Ge2Te5 / Pna2_1 (33) Phonon band structure, phonon DOS, thermal properties at constant volume, and ph...
Keyword:
Ba2Ge2Te5
,
Phonon
, and
Pna2_1 (33)
Resource Type:
Dataset
Data origin:
simulation
Author:
Atsushi Togo
Date Uploaded:
27/05/2023
Ab-initio phonon calculation for Cs2AgI3 / Pnma (62) / materials id 540881
Description/Abstract:
Ab-initio phonon calculation for Cs2AgI3 / Pnma (62) Phonon band structure, phonon DOS, thermal properties at constant volume, and phonon...
Keyword:
Cs2AgI3
,
Phonon
, and
Pnma (62)
Resource Type:
Dataset
Data origin:
simulation
Author:
Atsushi Togo
Date Uploaded:
27/05/2023
Ab-initio phonon calculation for Li6MgBr8 / Fm-3m (225) / materials id 29008
Description/Abstract:
Ab-initio phonon calculation for Li6MgBr8 / Fm-3m (225) Phonon band structure, phonon DOS, thermal properties at constant volume, and pho...
Keyword:
Fm-3m (225)
,
Li6MgBr8
, and
Phonon
Resource Type:
Dataset
Data origin:
simulation
Author:
Atsushi Togo
Date Uploaded:
27/05/2023
Ab-initio phonon calculation for Cs3TlO3 / P2_1/c (14) / materials id 756122
Description/Abstract:
Ab-initio phonon calculation for Cs3TlO3 / P2_1/c (14) Phonon band structure, phonon DOS, thermal properties at constant volume, and phon...
Keyword:
Cs3TlO3
,
P2_1/c (14)
, and
Phonon
Resource Type:
Dataset
Data origin:
simulation
Author:
Atsushi Togo
Date Uploaded:
27/05/2023
Ab-initio phonon calculation for HgO / Pnma (62) / materials id 1224
Description/Abstract:
Ab-initio phonon calculation for HgO / Pnma (62) Phonon band structure, phonon DOS, thermal properties at constant volume, and phonon raw...
Keyword:
HgO
,
Phonon
, and
Pnma (62)
Resource Type:
Dataset
Data origin:
simulation
Author:
Atsushi Togo
Date Uploaded:
27/05/2023
Ab-initio phonon calculation for Rb2PdSe16 / P-4b2 (117) / materials id 31292
Description/Abstract:
Ab-initio phonon calculation for Rb2PdSe16 / P-4b2 (117) Phonon band structure, phonon DOS, thermal properties at constant volume, and ph...
Keyword:
P-4b2 (117)
,
Phonon
, and
Rb2PdSe16
Resource Type:
Dataset
Data origin:
simulation
Author:
Atsushi Togo
Date Uploaded:
27/05/2023
Ab-initio phonon calculation for Zr3Pb(O2F3)2 / Fm-3m (225) / materials id 541097
Description/Abstract:
Ab-initio phonon calculation for Zr3Pb(O2F3)2 / Fm-3m (225) Phonon band structure, phonon DOS, thermal properties at constant volume, and...
Keyword:
Fm-3m (225)
,
Phonon
, and
Zr3Pb(O2F3)2
Resource Type:
Dataset
Data origin:
simulation
Author:
Atsushi Togo
Date Uploaded:
27/05/2023
Ab-initio phonon calculation for SiO2 / I4/mmm (139) / materials id 555211
Description/Abstract:
Ab-initio phonon calculation for SiO2 / I4/mmm (139) Phonon band structure, phonon DOS, thermal properties at constant volume, and phonon...
Keyword:
I4/mmm (139)
,
Phonon
, and
SiO2
Resource Type:
Dataset
Data origin:
simulation
Author:
Atsushi Togo
Date Uploaded:
27/05/2023
Ab-initio phonon calculation for Sn2IF3 / Cmcm (63) / materials id 555077
Description/Abstract:
Ab-initio phonon calculation for Sn2IF3 / Cmcm (63) Phonon band structure, phonon DOS, thermal properties at constant volume, and phonon ...
Keyword:
Cmcm (63)
,
Phonon
, and
Sn2IF3
Resource Type:
Dataset
Data origin:
simulation
Author:
Atsushi Togo
Date Uploaded:
27/05/2023
Ab-initio phonon calculation for La2SO2 / P-3m1 (164) / materials id 4511
Description/Abstract:
Ab-initio phonon calculation for La2SO2 / P-3m1 (164) Phonon band structure, phonon DOS, thermal properties at constant volume, and phono...
Keyword:
La2SO2
,
P-3m1 (164)
, and
Phonon
Resource Type:
Dataset
Data origin:
simulation
Author:
Atsushi Togo
Date Uploaded:
27/05/2023
Ab-initio phonon calculation for Cs3LaCl6 / C2/c (15) / materials id 582080
Description/Abstract:
Ab-initio phonon calculation for Cs3LaCl6 / C2/c (15) Phonon band structure, phonon DOS, thermal properties at constant volume, and phono...
Keyword:
C2/c (15)
,
Cs3LaCl6
, and
Phonon
Resource Type:
Dataset
Data origin:
simulation
Author:
Atsushi Togo
Date Uploaded:
27/05/2023
Ab-initio phonon calculation for HgPSe3 / C2/c (15) / materials id 7293
Description/Abstract:
Ab-initio phonon calculation for HgPSe3 / C2/c (15) Phonon band structure, phonon DOS, thermal properties at constant volume, and phonon ...
Keyword:
C2/c (15)
,
HgPSe3
, and
Phonon
Resource Type:
Dataset
Data origin:
simulation
Author:
Atsushi Togo
Date Uploaded:
27/05/2023
Ab-initio phonon calculation for Sr2CaI6 / P-31m (162) / materials id 754710
Description/Abstract:
Ab-initio phonon calculation for Sr2CaI6 / P-31m (162) Phonon band structure, phonon DOS, thermal properties at constant volume, and phon...
Keyword:
P-31m (162)
,
Phonon
, and
Sr2CaI6
Resource Type:
Dataset
Data origin:
simulation
Author:
Atsushi Togo
Date Uploaded:
27/05/2023
Ab-initio phonon calculation for TaTl(GeO3)3 / P-6c2 (188) / materials id 540634
Description/Abstract:
Ab-initio phonon calculation for TaTl(GeO3)3 / P-6c2 (188) Phonon band structure, phonon DOS, thermal properties at constant volume, and ...
Keyword:
P-6c2 (188)
,
Phonon
, and
TaTl(GeO3)3
Resource Type:
Dataset
Data origin:
simulation
Author:
Atsushi Togo
Date Uploaded:
27/05/2023
Ab-initio phonon calculation for Cs3Cr2Br9 / P6_3/mmc (194) / materials id 23451
Description/Abstract:
Ab-initio phonon calculation for Cs3Cr2Br9 / P6_3/mmc (194) Phonon band structure, phonon DOS, thermal properties at constant volume, and...
Keyword:
Cs3Cr2Br9
,
P6_3/mmc (194)
, and
Phonon
Resource Type:
Dataset
Data origin:
simulation
Author:
Atsushi Togo
Date Uploaded:
27/05/2023
Ab-initio phonon calculation for TeO2 / P4_32_12 (96) / materials id 2739
Description/Abstract:
Ab-initio phonon calculation for TeO2 / P4_32_12 (96) Phonon band structure, phonon DOS, thermal properties at constant volume, and phono...
Keyword:
P4_32_12 (96)
,
Phonon
, and
TeO2
Resource Type:
Dataset
Data origin:
simulation
Author:
Atsushi Togo
Date Uploaded:
27/05/2023
Ab-initio phonon calculation for DyHO2 / Pnma (62) / materials id 755659
Description/Abstract:
Ab-initio phonon calculation for DyHO2 / Pnma (62) Phonon band structure, phonon DOS, thermal properties at constant volume, and phonon r...
Keyword:
DyHO2
,
Phonon
, and
Pnma (62)
Resource Type:
Dataset
Data origin:
simulation
Author:
Atsushi Togo
Date Uploaded:
27/05/2023
Ab-initio phonon calculation for Na2Si2O5 / P2_1/c (14) / materials id 3193
Description/Abstract:
Ab-initio phonon calculation for Na2Si2O5 / P2_1/c (14) Phonon band structure, phonon DOS, thermal properties at constant volume, and pho...
Keyword:
Na2Si2O5
,
P2_1/c (14)
, and
Phonon
Resource Type:
Dataset
Data origin:
simulation
Author:
Atsushi Togo
Date Uploaded:
27/05/2023
Ab-initio phonon calculation for Ba2Ti6N2O11 / Cm (8) / materials id 776466
Description/Abstract:
Ab-initio phonon calculation for Ba2Ti6N2O11 / Cm (8) Phonon band structure, phonon DOS, thermal properties at constant volume, and phono...
Keyword:
Ba2Ti6N2O11
,
Cm (8)
, and
Phonon
Resource Type:
Dataset
Data origin:
simulation
Author:
Atsushi Togo
Date Uploaded:
27/05/2023
Ab-initio phonon calculation for CsBe2BO3F2 / R32 (155) / materials id 553342
Description/Abstract:
Ab-initio phonon calculation for CsBe2BO3F2 / R32 (155) Phonon band structure, phonon DOS, thermal properties at constant volume, and pho...
Keyword:
CsBe2BO3F2
,
Phonon
, and
R32 (155)
Resource Type:
Dataset
Data origin:
simulation
Author:
Atsushi Togo
Date Uploaded:
27/05/2023
Ab-initio phonon calculation for Ba2CaI6 / P4_2/mnm (136) / materials id 753731
Description/Abstract:
Ab-initio phonon calculation for Ba2CaI6 / P4_2/mnm (136) Phonon band structure, phonon DOS, thermal properties at constant volume, and p...
Keyword:
Ba2CaI6
,
P4_2/mnm (136)
, and
Phonon
Resource Type:
Dataset
Data origin:
simulation
Author:
Atsushi Togo
Date Uploaded:
27/05/2023
Ab-initio phonon calculation for KAlH2CO5 / Cmcm (63) / materials id 644285
Description/Abstract:
Ab-initio phonon calculation for KAlH2CO5 / Cmcm (63) Phonon band structure, phonon DOS, thermal properties at constant volume, and phono...
Keyword:
Cmcm (63)
,
KAlH2CO5
, and
Phonon
Resource Type:
Dataset
Data origin:
simulation
Author:
Atsushi Togo
Date Uploaded:
27/05/2023
Ab-initio phonon calculation for SiO2 / Cmcm (63) / materials id 600039
Description/Abstract:
Ab-initio phonon calculation for SiO2 / Cmcm (63) Phonon band structure, phonon DOS, thermal properties at constant volume, and phonon ra...
Keyword:
Cmcm (63)
,
Phonon
, and
SiO2
Resource Type:
Dataset
Data origin:
simulation
Author:
Atsushi Togo
Date Uploaded:
27/05/2023
Ab-initio phonon calculation for HoPtF7 / P2_1/c (14) / materials id 17651
Description/Abstract:
Ab-initio phonon calculation for HoPtF7 / P2_1/c (14) Phonon band structure, phonon DOS, thermal properties at constant volume, and phono...
Keyword:
HoPtF7
,
P2_1/c (14)
, and
Phonon
Resource Type:
Dataset
Data origin:
simulation
Author:
Atsushi Togo
Date Uploaded:
27/05/2023
Ab-initio phonon calculation for KAlSiO4 / P6_3 (173) / materials id 8355
Description/Abstract:
Ab-initio phonon calculation for KAlSiO4 / P6_3 (173) Phonon band structure, phonon DOS, thermal properties at constant volume, and phono...
Keyword:
KAlSiO4
,
P6_3 (173)
, and
Phonon
Resource Type:
Dataset
Data origin:
simulation
Author:
Atsushi Togo
Date Uploaded:
27/05/2023
Ab-initio phonon calculation for CsRb2SiF7 / P4/mbm (127) / materials id 7380
Description/Abstract:
Ab-initio phonon calculation for CsRb2SiF7 / P4/mbm (127) Phonon band structure, phonon DOS, thermal properties at constant volume, and p...
Keyword:
CsRb2SiF7
,
P4/mbm (127)
, and
Phonon
Resource Type:
Dataset
Data origin:
simulation
Author:
Atsushi Togo
Date Uploaded:
27/05/2023
Ab-initio phonon calculation for Cd3(AsO4)2 / P2_1/c (14) / materials id 13602
Description/Abstract:
Ab-initio phonon calculation for Cd3(AsO4)2 / P2_1/c (14) Phonon band structure, phonon DOS, thermal properties at constant volume, and p...
Keyword:
Cd3(AsO4)2
,
P2_1/c (14)
, and
Phonon
Resource Type:
Dataset
Data origin:
simulation
Author:
Atsushi Togo
Date Uploaded:
27/05/2023
Ab-initio phonon calculation for YbB4O7 / Pmn2_1 (31) / materials id 752484
Description/Abstract:
Ab-initio phonon calculation for YbB4O7 / Pmn2_1 (31) Phonon band structure, phonon DOS, thermal properties at constant volume, and phono...
Keyword:
Phonon
,
Pmn2_1 (31)
, and
YbB4O7
Resource Type:
Dataset
Data origin:
simulation
Author:
Atsushi Togo
Date Uploaded:
27/05/2023
Ab-initio phonon calculation for Pr3Si2S8Cl / C2/c (15) / materials id 556179
Description/Abstract:
Ab-initio phonon calculation for Pr3Si2S8Cl / C2/c (15) Phonon band structure, phonon DOS, thermal properties at constant volume, and pho...
Keyword:
C2/c (15)
,
Phonon
, and
Pr3Si2S8Cl
Resource Type:
Dataset
Data origin:
simulation
Author:
Atsushi Togo
Date Uploaded:
27/05/2023
Ab-initio phonon calculation for Na2Si2O5 / P2_1/c (14) / materials id 556423
Description/Abstract:
Ab-initio phonon calculation for Na2Si2O5 / P2_1/c (14) Phonon band structure, phonon DOS, thermal properties at constant volume, and pho...
Keyword:
Na2Si2O5
,
P2_1/c (14)
, and
Phonon
Resource Type:
Dataset
Data origin:
simulation
Author:
Atsushi Togo
Date Uploaded:
27/05/2023
Ab-initio phonon calculation for KAuF4 / I4/mcm (140) / materials id 5309
Description/Abstract:
Ab-initio phonon calculation for KAuF4 / I4/mcm (140) Phonon band structure, phonon DOS, thermal properties at constant volume, and phono...
Keyword:
I4/mcm (140)
,
KAuF4
, and
Phonon
Resource Type:
Dataset
Data origin:
simulation
Author:
Atsushi Togo
Date Uploaded:
27/05/2023
Ab-initio phonon calculation for Ga2HgS4 / I-4 (82) / materials id 4809
Description/Abstract:
Ab-initio phonon calculation for Ga2HgS4 / I-4 (82) Phonon band structure, phonon DOS, thermal properties at constant volume, and phonon ...
Keyword:
Ga2HgS4
,
I-4 (82)
, and
Phonon
Resource Type:
Dataset
Data origin:
simulation
Author:
Atsushi Togo
Date Uploaded:
27/05/2023
Ab-initio phonon calculation for Ca4Bi2O / I4/mmm (139) / materials id 551873
Description/Abstract:
Ab-initio phonon calculation for Ca4Bi2O / I4/mmm (139) Phonon band structure, phonon DOS, thermal properties at constant volume, and pho...
Keyword:
Ca4Bi2O
,
I4/mmm (139)
, and
Phonon
Resource Type:
Dataset
Data origin:
simulation
Author:
Atsushi Togo
Date Uploaded:
27/05/2023
Ab-initio phonon calculation for Na3Li3Sc2F12 / Ia-3d (230) / materials id 14023
Description/Abstract:
Ab-initio phonon calculation for Na3Li3Sc2F12 / Ia-3d (230) Phonon band structure, phonon DOS, thermal properties at constant volume, and...
Keyword:
Ia-3d (230)
,
Na3Li3Sc2F12
, and
Phonon
Resource Type:
Dataset
Data origin:
simulation
Author:
Atsushi Togo
Date Uploaded:
27/05/2023
Ab-initio phonon calculation for Li3BiS3 / Pna2_1 (33) / materials id 753520
Description/Abstract:
Ab-initio phonon calculation for Li3BiS3 / Pna2_1 (33) Phonon band structure, phonon DOS, thermal properties at constant volume, and phon...
Keyword:
Li3BiS3
,
Phonon
, and
Pna2_1 (33)
Resource Type:
Dataset
Data origin:
simulation
Author:
Atsushi Togo
Date Uploaded:
27/05/2023
Ab-initio phonon calculation for CaAlH5 / P2_12_12_1 (19) / materials id 654956
Description/Abstract:
Ab-initio phonon calculation for CaAlH5 / P2_12_12_1 (19) Phonon band structure, phonon DOS, thermal properties at constant volume, and p...
Keyword:
CaAlH5
,
P2_12_12_1 (19)
, and
Phonon
Resource Type:
Dataset
Data origin:
simulation
Author:
Atsushi Togo
Date Uploaded:
27/05/2023
Ab-initio phonon calculation for MgBP(H3O4)2 / R-3c (167) / materials id 758868
Description/Abstract:
Ab-initio phonon calculation for MgBP(H3O4)2 / R-3c (167) Phonon band structure, phonon DOS, thermal properties at constant volume, and p...
Keyword:
MgBP(H3O4)2
,
Phonon
, and
R-3c (167)
Resource Type:
Dataset
Data origin:
simulation
Author:
Atsushi Togo
Date Uploaded:
27/05/2023
Ab-initio phonon calculation for YSeF / P2_1/m (11) / materials id 696195
Description/Abstract:
Ab-initio phonon calculation for YSeF / P2_1/m (11) Phonon band structure, phonon DOS, thermal properties at constant volume, and phonon ...
Keyword:
P2_1/m (11)
,
Phonon
, and
YSeF
Resource Type:
Dataset
Data origin:
simulation
Author:
Atsushi Togo
Date Uploaded:
27/05/2023
Ab-initio phonon calculation for BaU(SiO4)2 / Cmcm (63) / materials id 555561
Description/Abstract:
Ab-initio phonon calculation for BaU(SiO4)2 / Cmcm (63) Phonon band structure, phonon DOS, thermal properties at constant volume, and pho...
Keyword:
BaU(SiO4)2
,
Cmcm (63)
, and
Phonon
Resource Type:
Dataset
Data origin:
simulation
Author:
Atsushi Togo
Date Uploaded:
27/05/2023
Ab-initio phonon calculation for Ba3SiO5 / I4/mcm (140) / materials id 7765
Description/Abstract:
Ab-initio phonon calculation for Ba3SiO5 / I4/mcm (140) Phonon band structure, phonon DOS, thermal properties at constant volume, and pho...
Keyword:
Ba3SiO5
,
I4/mcm (140)
, and
Phonon
Resource Type:
Dataset
Data origin:
simulation
Author:
Atsushi Togo
Date Uploaded:
27/05/2023
Ab-initio phonon calculation for CdI2 / P3m1 (156) / materials id 571667
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:
27/05/2023
Ab-initio phonon calculation for Cs2PtF6 / P-3m1 (164) / materials id 8191
Description/Abstract:
Ab-initio phonon calculation for Cs2PtF6 / P-3m1 (164) Phonon band structure, phonon DOS, thermal properties at constant volume, and phon...
Keyword:
Cs2PtF6
,
P-3m1 (164)
, and
Phonon
Resource Type:
Dataset
Data origin:
simulation
Author:
Atsushi Togo
Date Uploaded:
27/05/2023
Ab-initio phonon calculation for Cs4Zr3S14 / C2/c (15) / materials id 680246
Description/Abstract:
Ab-initio phonon calculation for Cs4Zr3S14 / C2/c (15) Phonon band structure, phonon DOS, thermal properties at constant volume, and phon...
Keyword:
C2/c (15)
,
Cs4Zr3S14
, and
Phonon
Resource Type:
Dataset
Data origin:
simulation
Author:
Atsushi Togo
Date Uploaded:
27/05/2023
Ab-initio phonon calculation for LiH3O2 / C2/m (12) / materials id 27281
Description/Abstract:
Ab-initio phonon calculation for LiH3O2 / C2/m (12) Phonon band structure, phonon DOS, thermal properties at constant volume, and phonon ...
Keyword:
C2/m (12)
,
LiH3O2
, and
Phonon
Resource Type:
Dataset
Data origin:
simulation
Author:
Atsushi Togo
Date Uploaded:
27/05/2023
Ab-initio phonon calculation for CaSc2O4 / Pnma (62) / materials id 4056
Description/Abstract:
Ab-initio phonon calculation for CaSc2O4 / Pnma (62) Phonon band structure, phonon DOS, thermal properties at constant volume, and phonon...
Keyword:
CaSc2O4
,
Phonon
, and
Pnma (62)
Resource Type:
Dataset
Data origin:
simulation
Author:
Atsushi Togo
Date Uploaded:
27/05/2023
Ab-initio phonon calculation for AgBr / P2_1/m (11) / materials id 570301
Description/Abstract:
Ab-initio phonon calculation for AgBr / P2_1/m (11) Phonon band structure, phonon DOS, thermal properties at constant volume, and phonon ...
Keyword:
AgBr
,
P2_1/m (11)
, and
Phonon
Resource Type:
Dataset
Data origin:
simulation
Author:
Atsushi Togo
Date Uploaded:
27/05/2023
Ab-initio phonon calculation for Cs3H(SeO4)2 / C2/m (12) / materials id 23980
Description/Abstract:
Ab-initio phonon calculation for Cs3H(SeO4)2 / C2/m (12) Phonon band structure, phonon DOS, thermal properties at constant volume, and ph...
Keyword:
C2/m (12)
,
Cs3H(SeO4)2
, and
Phonon
Resource Type:
Dataset
Data origin:
simulation
Author:
Atsushi Togo
Date Uploaded:
27/05/2023
Ab-initio phonon calculation for LaYO3 / Pnma (62) / materials id 10429
Description/Abstract:
Ab-initio phonon calculation for LaYO3 / Pnma (62) Phonon band structure, phonon DOS, thermal properties at constant volume, and phonon r...
Keyword:
LaYO3
,
Phonon
, and
Pnma (62)
Resource Type:
Dataset
Data origin:
simulation
Author:
Atsushi Togo
Date Uploaded:
27/05/2023
Ab-initio phonon calculation for LiTlO2 / I4_1/amd (141) / materials id 8179
Description/Abstract:
Ab-initio phonon calculation for LiTlO2 / I4_1/amd (141) Phonon band structure, phonon DOS, thermal properties at constant volume, and ph...
Keyword:
I4_1/amd (141)
,
LiTlO2
, and
Phonon
Resource Type:
Dataset
Data origin:
simulation
Author:
Atsushi Togo
Date Uploaded:
27/05/2023
Ab-initio phonon calculation for TiCoSb / F-43m (216) / materials id 5967
Description/Abstract:
Ab-initio phonon calculation for TiCoSb / F-43m (216) Phonon band structure, phonon DOS, thermal properties at constant volume, and phono...
Keyword:
F-43m (216)
,
Phonon
, and
TiCoSb
Resource Type:
Dataset
Data origin:
simulation
Author:
Atsushi Togo
Date Uploaded:
27/05/2023
Ab-initio phonon calculation for BiOF / Pnma (62) / materials id 753360
Description/Abstract:
Ab-initio phonon calculation for BiOF / Pnma (62) Phonon band structure, phonon DOS, thermal properties at constant volume, and phonon ra...
Keyword:
BiOF
,
Phonon
, and
Pnma (62)
Resource Type:
Dataset
Data origin:
simulation
Author:
Atsushi Togo
Date Uploaded:
27/05/2023
Ab-initio phonon calculation for ScTaO4 / P2/c (13) / materials id 558781
Description/Abstract:
Ab-initio phonon calculation for ScTaO4 / P2/c (13) Phonon band structure, phonon DOS, thermal properties at constant volume, and phonon ...
Keyword:
P2/c (13)
,
Phonon
, and
ScTaO4
Resource Type:
Dataset
Data origin:
simulation
Author:
Atsushi Togo
Date Uploaded:
27/05/2023
Ab-initio phonon calculation for PrPtF7 / P2_1/c (14) / materials id 17446
Description/Abstract:
Ab-initio phonon calculation for PrPtF7 / P2_1/c (14) Phonon band structure, phonon DOS, thermal properties at constant volume, and phono...
Keyword:
P2_1/c (14)
,
Phonon
, and
PrPtF7
Resource Type:
Dataset
Data origin:
simulation
Author:
Atsushi Togo
Date Uploaded:
27/05/2023
Ab-initio phonon calculation for KNd2NbO6 / C2/m (12) / materials id 558128
Description/Abstract:
Ab-initio phonon calculation for KNd2NbO6 / C2/m (12) Phonon band structure, phonon DOS, thermal properties at constant volume, and phono...
Keyword:
C2/m (12)
,
KNd2NbO6
, and
Phonon
Resource Type:
Dataset
Data origin:
simulation
Author:
Atsushi Togo
Date Uploaded:
27/05/2023
Ab-initio phonon calculation for Bi9AuBr9 / P2_1/c (14) / materials id 684015
Description/Abstract:
Ab-initio phonon calculation for Bi9AuBr9 / P2_1/c (14) Phonon band structure, phonon DOS, thermal properties at constant volume, and pho...
Keyword:
Bi9AuBr9
,
P2_1/c (14)
, and
Phonon
Resource Type:
Dataset
Data origin:
simulation
Author:
Atsushi Togo
Date Uploaded:
27/05/2023
Ab-initio phonon calculation for KNa22C2S9ClO42 / P6_3/m (176) / materials id 23660
Description/Abstract:
Ab-initio phonon calculation for KNa22C2S9ClO42 / P6_3/m (176) Phonon band structure, phonon DOS, thermal properties at constant volume, ...
Keyword:
KNa22C2S9ClO42
,
P6_3/m (176)
, and
Phonon
Resource Type:
Dataset
Data origin:
simulation
Author:
Atsushi Togo
Date Uploaded:
27/05/2023
Ab-initio phonon calculation for TbBa2SbO6 / Fm-3m (225) / materials id 6265
Description/Abstract:
Ab-initio phonon calculation for TbBa2SbO6 / Fm-3m (225) Phonon band structure, phonon DOS, thermal properties at constant volume, and ph...
Keyword:
Fm-3m (225)
,
Phonon
, and
TbBa2SbO6
Resource Type:
Dataset
Data origin:
simulation
Author:
Atsushi Togo
Date Uploaded:
27/05/2023
Ab-initio phonon calculation for SrLi2Ta2O7 / Cmcm (63) / materials id 558054
Description/Abstract:
Ab-initio phonon calculation for SrLi2Ta2O7 / Cmcm (63) Phonon band structure, phonon DOS, thermal properties at constant volume, and pho...
Keyword:
Cmcm (63)
,
Phonon
, and
SrLi2Ta2O7
Resource Type:
Dataset
Data origin:
simulation
Author:
Atsushi Togo
Date Uploaded:
27/05/2023
Ab-initio phonon calculation for K2In12Se19 / R-3 (148) / materials id 21836
Description/Abstract:
Ab-initio phonon calculation for K2In12Se19 / R-3 (148) Phonon band structure, phonon DOS, thermal properties at constant volume, and pho...
Keyword:
K2In12Se19
,
Phonon
, and
R-3 (148)
Resource Type:
Dataset
Data origin:
simulation
Author:
Atsushi Togo
Date Uploaded:
27/05/2023
Ab-initio phonon calculation for Li2SnP2O7 / C2/c (15) / materials id 27033
Description/Abstract:
Ab-initio phonon calculation for Li2SnP2O7 / C2/c (15) Phonon band structure, phonon DOS, thermal properties at constant volume, and phon...
Keyword:
C2/c (15)
,
Li2SnP2O7
, and
Phonon
Resource Type:
Dataset
Data origin:
simulation
Author:
Atsushi Togo
Date Uploaded:
27/05/2023
Ab-initio phonon calculation for K2HfF6 / P4/mnc (128) / materials id 8590
Description/Abstract:
Ab-initio phonon calculation for K2HfF6 / P4/mnc (128) Phonon band structure, phonon DOS, thermal properties at constant volume, and phon...
Keyword:
K2HfF6
,
P4/mnc (128)
, and
Phonon
Resource Type:
Dataset
Data origin:
simulation
Author:
Atsushi Togo
Date Uploaded:
27/05/2023
Ab-initio phonon calculation for BaP3 / C2/m (12) / materials id 7808
Description/Abstract:
Ab-initio phonon calculation for BaP3 / C2/m (12) Phonon band structure, phonon DOS, thermal properties at constant volume, and phonon ra...
Keyword:
BaP3
,
C2/m (12)
, and
Phonon
Resource Type:
Dataset
Data origin:
simulation
Author:
Atsushi Togo
Date Uploaded:
27/05/2023
Ab-initio phonon calculation for Si(CuP2)4 / I4_1/a (88) / materials id 28995
Description/Abstract:
Ab-initio phonon calculation for Si(CuP2)4 / I4_1/a (88) Phonon band structure, phonon DOS, thermal properties at constant volume, and ph...
Keyword:
I4_1/a (88)
,
Phonon
, and
Si(CuP2)4
Resource Type:
Dataset
Data origin:
simulation
Author:
Atsushi Togo
Date Uploaded:
27/05/2023
Ab-initio phonon calculation for NaSr3RuO6 / R-3c (167) / materials id 6233
Description/Abstract:
Ab-initio phonon calculation for NaSr3RuO6 / R-3c (167) Phonon band structure, phonon DOS, thermal properties at constant volume, and pho...
Keyword:
NaSr3RuO6
,
Phonon
, and
R-3c (167)
Resource Type:
Dataset
Data origin:
simulation
Author:
Atsushi Togo
Date Uploaded:
27/05/2023
Ab-initio phonon calculation for H2C / Pnma (62) / materials id 985782
Description/Abstract:
Ab-initio phonon calculation for H2C / Pnma (62) Phonon band structure, phonon DOS, thermal properties at constant volume, and phonon raw...
Keyword:
H2C
,
Phonon
, and
Pnma (62)
Resource Type:
Dataset
Data origin:
simulation
Author:
Atsushi Togo
Date Uploaded:
27/05/2023
Ab-initio phonon calculation for TiAs2O7 / P2_1/c (14) / materials id 17196
Description/Abstract:
Ab-initio phonon calculation for TiAs2O7 / P2_1/c (14) Phonon band structure, phonon DOS, thermal properties at constant volume, and phon...
Keyword:
P2_1/c (14)
,
Phonon
, and
TiAs2O7
Resource Type:
Dataset
Data origin:
simulation
Author:
Atsushi Togo
Date Uploaded:
27/05/2023
Ab-initio phonon calculation for TbZn(BO2)5 / P2_1/c (14) / materials id 15520
Description/Abstract:
Ab-initio phonon calculation for TbZn(BO2)5 / P2_1/c (14) Phonon band structure, phonon DOS, thermal properties at constant volume, and p...
Keyword:
P2_1/c (14)
,
Phonon
, and
TbZn(BO2)5
Resource Type:
Dataset
Data origin:
simulation
Author:
Atsushi Togo
Date Uploaded:
27/05/2023
Ab-initio phonon calculation for Ba2NdNbO6 / Fm-3m (225) / materials id 12637
Description/Abstract:
Ab-initio phonon calculation for Ba2NdNbO6 / Fm-3m (225) Phonon band structure, phonon DOS, thermal properties at constant volume, and ph...
Keyword:
Ba2NdNbO6
,
Fm-3m (225)
, and
Phonon
Resource Type:
Dataset
Data origin:
simulation
Author:
Atsushi Togo
Date Uploaded:
27/05/2023
Ab-initio phonon calculation for CuI / P6_3mc (186) / materials id 569346
Description/Abstract:
Ab-initio phonon calculation for CuI / P6_3mc (186) Phonon band structure, phonon DOS, thermal properties at constant volume, and phonon ...
Keyword:
CuI
,
P6_3mc (186)
, and
Phonon
Resource Type:
Dataset
Data origin:
simulation
Author:
Atsushi Togo
Date Uploaded:
27/05/2023
Ab-initio phonon calculation for Li2GeF6 / P321 (150) / materials id 5368
Description/Abstract:
Ab-initio phonon calculation for Li2GeF6 / P321 (150) Phonon band structure, phonon DOS, thermal properties at constant volume, and phono...
Keyword:
Li2GeF6
,
P321 (150)
, and
Phonon
Resource Type:
Dataset
Data origin:
simulation
Author:
Atsushi Togo
Date Uploaded:
27/05/2023
Ab-initio phonon calculation for Bi2Se3 / R-3m (166) / materials id 541837
Description/Abstract:
Ab-initio phonon calculation for Bi2Se3 / R-3m (166) Phonon band structure, phonon DOS, thermal properties at constant volume, and phonon...
Keyword:
Bi2Se3
,
Phonon
, and
R-3m (166)
Resource Type:
Dataset
Data origin:
simulation
Author:
Atsushi Togo
Date Uploaded:
27/05/2023
Ab-initio phonon calculation for MgO / Fm-3m (225) / materials id 1265
Description/Abstract:
Ab-initio phonon calculation for MgO / Fm-3m (225) Phonon band structure, phonon DOS, thermal properties at constant volume, and phonon r...
Keyword:
Fm-3m (225)
,
MgO
, and
Phonon
Resource Type:
Dataset
Data origin:
simulation
Author:
Atsushi Togo
Date Uploaded:
27/05/2023
Ab-initio phonon calculation for Cd2Ge7O16 / P-4b2 (117) / materials id 29213
Description/Abstract:
Ab-initio phonon calculation for Cd2Ge7O16 / P-4b2 (117) Phonon band structure, phonon DOS, thermal properties at constant volume, and ph...
Keyword:
Cd2Ge7O16
,
P-4b2 (117)
, and
Phonon
Resource Type:
Dataset
Data origin:
simulation
Author:
Atsushi Togo
Date Uploaded:
27/05/2023
Ab-initio phonon calculation for BaLi2P2O7 / C2/c (15) / materials id 6175
Description/Abstract:
Ab-initio phonon calculation for BaLi2P2O7 / C2/c (15) Phonon band structure, phonon DOS, thermal properties at constant volume, and phon...
Keyword:
BaLi2P2O7
,
C2/c (15)
, and
Phonon
Resource Type:
Dataset
Data origin:
simulation
Author:
Atsushi Togo
Date Uploaded:
27/05/2023
Ab-initio phonon calculation for NdI3 / P6_3/mmc (194) / materials id 864617
Description/Abstract:
Ab-initio phonon calculation for NdI3 / P6_3/mmc (194) Phonon band structure, phonon DOS, thermal properties at constant volume, and phon...
Keyword:
NdI3
,
P6_3/mmc (194)
, and
Phonon
Resource Type:
Dataset
Data origin:
simulation
Author:
Atsushi Togo
Date Uploaded:
27/05/2023
Ab-initio phonon calculation for Cs3Sb2I9 / P6_3/mmc (194) / materials id 23029
Description/Abstract:
Ab-initio phonon calculation for Cs3Sb2I9 / P6_3/mmc (194) Phonon band structure, phonon DOS, thermal properties at constant volume, and ...
Keyword:
Cs3Sb2I9
,
P6_3/mmc (194)
, and
Phonon
Resource Type:
Dataset
Data origin:
simulation
Author:
Atsushi Togo
Date Uploaded:
27/05/2023
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