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Ab-initio phonon calculation for RbCaCO3F / P-62m (189) / materials id 867757
Description/Abstract:
Ab-initio phonon calculation for RbCaCO3F / P-62m (189) Phonon band structure, phonon DOS, thermal properties at constant volume, and pho...
Keyword:
P-62m (189)
,
Phonon
, and
RbCaCO3F
Resource Type:
Dataset
Data origin:
simulation
Author:
Atsushi Togo
Date Uploaded:
15/05/2023
Ab-initio phonon calculation for Sb5IO7 / P-62c (190) / materials id 28485
Description/Abstract:
Ab-initio phonon calculation for Sb5IO7 / P-62c (190) Phonon band structure, phonon DOS, thermal properties at constant volume, and phono...
Keyword:
P-62c (190)
,
Phonon
, and
Sb5IO7
Resource Type:
Dataset
Data origin:
simulation
Author:
Atsushi Togo
Date Uploaded:
15/05/2023
Ab-initio phonon calculation for Ba5Si(Br3O2)2 / C2/c (15) / materials id 553884
Description/Abstract:
Ab-initio phonon calculation for Ba5Si(Br3O2)2 / C2/c (15) Phonon band structure, phonon DOS, thermal properties at constant volume, and ...
Keyword:
Ba5Si(Br3O2)2
,
C2/c (15)
, and
Phonon
Resource Type:
Dataset
Data origin:
simulation
Author:
Atsushi Togo
Date Uploaded:
15/05/2023
Ab-initio phonon calculation for Cs3BAs2 / C2/c (15) / materials id 573658
Description/Abstract:
Ab-initio phonon calculation for Cs3BAs2 / C2/c (15) Phonon band structure, phonon DOS, thermal properties at constant volume, and phonon...
Keyword:
C2/c (15)
,
Cs3BAs2
, and
Phonon
Resource Type:
Dataset
Data origin:
simulation
Author:
Atsushi Togo
Date Uploaded:
15/05/2023
Ab-initio phonon calculation for Ag5BiO4 / P2_1/c (14) / materials id 28812
Description/Abstract:
Ab-initio phonon calculation for Ag5BiO4 / P2_1/c (14) Phonon band structure, phonon DOS, thermal properties at constant volume, and phon...
Keyword:
Ag5BiO4
,
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 Te3As2 / R-3m (166) / materials id 9897
Description/Abstract:
Ab-initio phonon calculation for Te3As2 / R-3m (166) Phonon band structure, phonon DOS, thermal properties at constant volume, and phonon...
Keyword:
Phonon
,
R-3m (166)
, and
Te3As2
Resource Type:
Dataset
Data origin:
simulation
Author:
Atsushi Togo
Date Uploaded:
15/05/2023
Ab-initio phonon calculation for Ag2GeS3 / Cmc2_1 (36) / materials id 9900
Description/Abstract:
Ab-initio phonon calculation for Ag2GeS3 / Cmc2_1 (36) Phonon band structure, phonon DOS, thermal properties at constant volume, and phon...
Keyword:
Ag2GeS3
,
Cmc2_1 (36)
, and
Phonon
Resource Type:
Dataset
Data origin:
simulation
Author:
Atsushi Togo
Date Uploaded:
15/05/2023
Ab-initio phonon calculation for TeO3 / R-3c (167) / materials id 2552
Description/Abstract:
Ab-initio phonon calculation for TeO3 / R-3c (167) Phonon band structure, phonon DOS, thermal properties at constant volume, and phonon r...
Keyword:
Phonon
,
R-3c (167)
, and
TeO3
Resource Type:
Dataset
Data origin:
simulation
Author:
Atsushi Togo
Date Uploaded:
15/05/2023
Ab-initio phonon calculation for Dy2Ge2O7 / Pnma (62) / materials id 773011
Description/Abstract:
Ab-initio phonon calculation for Dy2Ge2O7 / Pnma (62) Phonon band structure, phonon DOS, thermal properties at constant volume, and phono...
Keyword:
Dy2Ge2O7
,
Phonon
, and
Pnma (62)
Resource Type:
Dataset
Data origin:
simulation
Author:
Atsushi Togo
Date Uploaded:
15/05/2023
Ab-initio phonon calculation for Ar / Fm-3m (225) / materials id 23155
Description/Abstract:
Ab-initio phonon calculation for Ar / Fm-3m (225) Phonon band structure, phonon DOS, thermal properties at constant volume, and phonon ra...
Keyword:
Ar
,
Fm-3m (225)
, and
Phonon
Resource Type:
Dataset
Data origin:
simulation
Author:
Atsushi Togo
Date Uploaded:
15/05/2023
Ab-initio phonon calculation for LuAsO4 / I4_1/amd (141) / materials id 7644
Description/Abstract:
Ab-initio phonon calculation for LuAsO4 / I4_1/amd (141) Phonon band structure, phonon DOS, thermal properties at constant volume, and ph...
Keyword:
I4_1/amd (141)
,
LuAsO4
, and
Phonon
Resource Type:
Dataset
Data origin:
simulation
Author:
Atsushi Togo
Date Uploaded:
15/05/2023
Ab-initio phonon calculation for CsCa2Ta3O10 / P4/mmm (123) / materials id 10347
Description/Abstract:
Ab-initio phonon calculation for CsCa2Ta3O10 / P4/mmm (123) Phonon band structure, phonon DOS, thermal properties at constant volume, and...
Keyword:
CsCa2Ta3O10
,
P4/mmm (123)
, and
Phonon
Resource Type:
Dataset
Data origin:
simulation
Author:
Atsushi Togo
Date Uploaded:
15/05/2023
Ab-initio phonon calculation for BaLu2O4 / Cmcm (63) / materials id 780535
Description/Abstract:
Ab-initio phonon calculation for BaLu2O4 / Cmcm (63) Phonon band structure, phonon DOS, thermal properties at constant volume, and phonon...
Keyword:
BaLu2O4
,
Cmcm (63)
, and
Phonon
Resource Type:
Dataset
Data origin:
simulation
Author:
Atsushi Togo
Date Uploaded:
15/05/2023
Ab-initio phonon calculation for Ba2Ti(GeO4)2 / P4bm (100) / materials id 6289
Description/Abstract:
Ab-initio phonon calculation for Ba2Ti(GeO4)2 / P4bm (100) Phonon band structure, phonon DOS, thermal properties at constant volume, and ...
Keyword:
Ba2Ti(GeO4)2
,
P4bm (100)
, and
Phonon
Resource Type:
Dataset
Data origin:
simulation
Author:
Atsushi Togo
Date Uploaded:
15/05/2023
Ab-initio phonon calculation for NaHS / R3m (160) / materials id 36582
Description/Abstract:
Ab-initio phonon calculation for NaHS / R3m (160) Phonon band structure, phonon DOS, thermal properties at constant volume, and phonon ra...
Keyword:
NaHS
,
Phonon
, and
R3m (160)
Resource Type:
Dataset
Data origin:
simulation
Author:
Atsushi Togo
Date Uploaded:
15/05/2023
Ab-initio phonon calculation for P2Pd / C2/c (15) / materials id 28266
Description/Abstract:
Ab-initio phonon calculation for P2Pd / C2/c (15) Phonon band structure, phonon DOS, thermal properties at constant volume, and phonon ra...
Keyword:
C2/c (15)
,
P2Pd
, and
Phonon
Resource Type:
Dataset
Data origin:
simulation
Author:
Atsushi Togo
Date Uploaded:
15/05/2023
Ab-initio phonon calculation for Sr(GaTe2)2 / Cccm (66) / materials id 6987
Description/Abstract:
Ab-initio phonon calculation for Sr(GaTe2)2 / Cccm (66) Phonon band structure, phonon DOS, thermal properties at constant volume, and pho...
Keyword:
Cccm (66)
,
Phonon
, and
Sr(GaTe2)2
Resource Type:
Dataset
Data origin:
simulation
Author:
Atsushi Togo
Date Uploaded:
15/05/2023
Ab-initio phonon calculation for Lu2(CN2)3 / R32 (155) / materials id 568116
Description/Abstract:
Ab-initio phonon calculation for Lu2(CN2)3 / R32 (155) Phonon band structure, phonon DOS, thermal properties at constant volume, and phon...
Keyword:
Lu2(CN2)3
,
Phonon
, and
R32 (155)
Resource Type:
Dataset
Data origin:
simulation
Author:
Atsushi Togo
Date Uploaded:
15/05/2023
Ab-initio phonon calculation for LiGaO2 / Pna2_1 (33) / materials id 5854
Description/Abstract:
Ab-initio phonon calculation for LiGaO2 / Pna2_1 (33) Phonon band structure, phonon DOS, thermal properties at constant volume, and phono...
Keyword:
LiGaO2
,
Phonon
, and
Pna2_1 (33)
Resource Type:
Dataset
Data origin:
simulation
Author:
Atsushi Togo
Date Uploaded:
15/05/2023
Ab-initio phonon calculation for La2Si4CN6 / Pnma (62) / materials id 866650
Description/Abstract:
Ab-initio phonon calculation for La2Si4CN6 / Pnma (62) Phonon band structure, phonon DOS, thermal properties at constant volume, and phon...
Keyword:
La2Si4CN6
,
Phonon
, and
Pnma (62)
Resource Type:
Dataset
Data origin:
simulation
Author:
Atsushi Togo
Date Uploaded:
15/05/2023
Ab-initio phonon calculation for Ag2S / C2/m (12) / materials id 32884
Description/Abstract:
Ab-initio phonon calculation for Ag2S / C2/m (12) Phonon band structure, phonon DOS, thermal properties at constant volume, and phonon ra...
Keyword:
Ag2S
,
C2/m (12)
, and
Phonon
Resource Type:
Dataset
Data origin:
simulation
Author:
Atsushi Togo
Date Uploaded:
15/05/2023
Ab-initio phonon calculation for YbS / Fm-3m (225) / materials id 1820
Description/Abstract:
Ab-initio phonon calculation for YbS / Fm-3m (225) Phonon band structure, phonon DOS, thermal properties at constant volume, and phonon r...
Keyword:
Fm-3m (225)
,
Phonon
, and
YbS
Resource Type:
Dataset
Data origin:
simulation
Author:
Atsushi Togo
Date Uploaded:
15/05/2023
Ab-initio phonon calculation for Na2BeSiO4 / Pca2_1 (29) / materials id 6236
Description/Abstract:
Ab-initio phonon calculation for Na2BeSiO4 / Pca2_1 (29) Phonon band structure, phonon DOS, thermal properties at constant volume, and ph...
Keyword:
Na2BeSiO4
,
Pca2_1 (29)
, and
Phonon
Resource Type:
Dataset
Data origin:
simulation
Author:
Atsushi Togo
Date Uploaded:
15/05/2023
Ab-initio phonon calculation for Ba2Si3O8 / P2_1/c (14) / materials id 29222
Description/Abstract:
Ab-initio phonon calculation for Ba2Si3O8 / P2_1/c (14) Phonon band structure, phonon DOS, thermal properties at constant volume, and pho...
Keyword:
Ba2Si3O8
,
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 K2TiCl6 / Fm-3m (225) / materials id 27839
Description/Abstract:
Ab-initio phonon calculation for K2TiCl6 / Fm-3m (225) Phonon band structure, phonon DOS, thermal properties at constant volume, and phon...
Keyword:
Fm-3m (225)
,
K2TiCl6
, and
Phonon
Resource Type:
Dataset
Data origin:
simulation
Author:
Atsushi Togo
Date Uploaded:
15/05/2023
Ab-initio phonon calculation for K4HgAs2 / R-3m (166) / materials id 29484
Description/Abstract:
Ab-initio phonon calculation for K4HgAs2 / R-3m (166) Phonon band structure, phonon DOS, thermal properties at constant volume, and phono...
Keyword:
K4HgAs2
,
Phonon
, and
R-3m (166)
Resource Type:
Dataset
Data origin:
simulation
Author:
Atsushi Togo
Date Uploaded:
15/05/2023
Ab-initio phonon calculation for HoPO4 / I4_1/amd (141) / materials id 4104
Description/Abstract:
Ab-initio phonon calculation for HoPO4 / I4_1/amd (141) Phonon band structure, phonon DOS, thermal properties at constant volume, and pho...
Keyword:
HoPO4
,
I4_1/amd (141)
, and
Phonon
Resource Type:
Dataset
Data origin:
simulation
Author:
Atsushi Togo
Date Uploaded:
15/05/2023
Ab-initio phonon calculation for Cd2Sb2O7 / Imma (74) / materials id 16281
Description/Abstract:
Ab-initio phonon calculation for Cd2Sb2O7 / Imma (74) Phonon band structure, phonon DOS, thermal properties at constant volume, and phono...
Keyword:
Cd2Sb2O7
,
Imma (74)
, and
Phonon
Resource Type:
Dataset
Data origin:
simulation
Author:
Atsushi Togo
Date Uploaded:
15/05/2023
Ab-initio phonon calculation for Tl3PdCl5 / Pbca (61) / materials id 29460
Description/Abstract:
Ab-initio phonon calculation for Tl3PdCl5 / Pbca (61) Phonon band structure, phonon DOS, thermal properties at constant volume, and phono...
Keyword:
Pbca (61)
,
Phonon
, and
Tl3PdCl5
Resource Type:
Dataset
Data origin:
simulation
Author:
Atsushi Togo
Date Uploaded:
15/05/2023
Ab-initio phonon calculation for InAg(PSe3)2 / P-31c (163) / materials id 20902
Description/Abstract:
Ab-initio phonon calculation for InAg(PSe3)2 / P-31c (163) Phonon band structure, phonon DOS, thermal properties at constant volume, and ...
Keyword:
InAg(PSe3)2
,
P-31c (163)
, and
Phonon
Resource Type:
Dataset
Data origin:
simulation
Author:
Atsushi Togo
Date Uploaded:
15/05/2023
Ab-initio phonon calculation for ZrB2O5 / P2_1/c (14) / materials id 559571
Description/Abstract:
Ab-initio phonon calculation for ZrB2O5 / P2_1/c (14) Phonon band structure, phonon DOS, thermal properties at constant volume, and phono...
Keyword:
P2_1/c (14)
,
Phonon
, and
ZrB2O5
Resource Type:
Dataset
Data origin:
simulation
Author:
Atsushi Togo
Date Uploaded:
15/05/2023
Ab-initio phonon calculation for Pr3GaO6 / Cmc2_1 (36) / materials id 753821
Description/Abstract:
Ab-initio phonon calculation for Pr3GaO6 / Cmc2_1 (36) Phonon band structure, phonon DOS, thermal properties at constant volume, and phon...
Keyword:
Cmc2_1 (36)
,
Phonon
, and
Pr3GaO6
Resource Type:
Dataset
Data origin:
simulation
Author:
Atsushi Togo
Date Uploaded:
15/05/2023
Ab-initio phonon calculation for Li3GaN2 / Ia-3 (206) / materials id 3887
Description/Abstract:
Ab-initio phonon calculation for Li3GaN2 / Ia-3 (206) Phonon band structure, phonon DOS, thermal properties at constant volume, and phono...
Keyword:
Ia-3 (206)
,
Li3GaN2
, and
Phonon
Resource Type:
Dataset
Data origin:
simulation
Author:
Atsushi Togo
Date Uploaded:
15/05/2023
Ab-initio phonon calculation for K2Zr3OF12 / R-3m (166) / materials id 17888
Description/Abstract:
Ab-initio phonon calculation for K2Zr3OF12 / R-3m (166) Phonon band structure, phonon DOS, thermal properties at constant volume, and pho...
Keyword:
K2Zr3OF12
,
Phonon
, and
R-3m (166)
Resource Type:
Dataset
Data origin:
simulation
Author:
Atsushi Togo
Date Uploaded:
15/05/2023
Ab-initio phonon calculation for Sm2Zr2O7 / Fd-3m (227) / materials id 4408
Description/Abstract:
Ab-initio phonon calculation for Sm2Zr2O7 / Fd-3m (227) Phonon band structure, phonon DOS, thermal properties at constant volume, and pho...
Keyword:
Fd-3m (227)
,
Phonon
, and
Sm2Zr2O7
Resource Type:
Dataset
Data origin:
simulation
Author:
Atsushi Togo
Date Uploaded:
15/05/2023
Ab-initio phonon calculation for CuBr / P4/nmm (129) / materials id 22917
Description/Abstract:
Ab-initio phonon calculation for CuBr / P4/nmm (129) Phonon band structure, phonon DOS, thermal properties at constant volume, and phonon...
Keyword:
CuBr
,
P4/nmm (129)
, and
Phonon
Resource Type:
Dataset
Data origin:
simulation
Author:
Atsushi Togo
Date Uploaded:
15/05/2023
Ab-initio phonon calculation for BaUO4 / Pbcm (57) / materials id 5611
Description/Abstract:
Ab-initio phonon calculation for BaUO4 / Pbcm (57) Phonon band structure, phonon DOS, thermal properties at constant volume, and phonon r...
Keyword:
BaUO4
,
Pbcm (57)
, and
Phonon
Resource Type:
Dataset
Data origin:
simulation
Author:
Atsushi Togo
Date Uploaded:
15/05/2023
Ab-initio phonon calculation for CuI / P1 (1) / materials id 673245
Description/Abstract:
Ab-initio phonon calculation for CuI / P1 (1) Phonon band structure, phonon DOS, thermal properties at constant volume, and phonon raw da...
Keyword:
CuI
,
P1 (1)
, and
Phonon
Resource Type:
Dataset
Data origin:
simulation
Author:
Atsushi Togo
Date Uploaded:
15/05/2023
Ab-initio phonon calculation for Mg2B2O5 / P2_1/c (14) / materials id 560772
Description/Abstract:
Ab-initio phonon calculation for Mg2B2O5 / P2_1/c (14) Phonon band structure, phonon DOS, thermal properties at constant volume, and phon...
Keyword:
Mg2B2O5
,
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 K3Ga3As4 / Pnna (52) / materials id 567524
Description/Abstract:
Ab-initio phonon calculation for K3Ga3As4 / Pnna (52) Phonon band structure, phonon DOS, thermal properties at constant volume, and phono...
Keyword:
K3Ga3As4
,
Phonon
, and
Pnna (52)
Resource Type:
Dataset
Data origin:
simulation
Author:
Atsushi Togo
Date Uploaded:
15/05/2023
Ab-initio phonon calculation for Li2BeSiO4 / Pc (7) / materials id 8070
Description/Abstract:
Ab-initio phonon calculation for Li2BeSiO4 / Pc (7) Phonon band structure, phonon DOS, thermal properties at constant volume, and phonon ...
Keyword:
Li2BeSiO4
,
Pc (7)
, and
Phonon
Resource Type:
Dataset
Data origin:
simulation
Author:
Atsushi Togo
Date Uploaded:
15/05/2023
Ab-initio phonon calculation for Tm2Pb2O7 / Fd-3m (227) / materials id 752411
Description/Abstract:
Ab-initio phonon calculation for Tm2Pb2O7 / Fd-3m (227) Phonon band structure, phonon DOS, thermal properties at constant volume, and pho...
Keyword:
Fd-3m (227)
,
Phonon
, and
Tm2Pb2O7
Resource Type:
Dataset
Data origin:
simulation
Author:
Atsushi Togo
Date Uploaded:
15/05/2023
Ab-initio phonon calculation for SrZrS3 / Pnma (62) / materials id 5193
Description/Abstract:
Ab-initio phonon calculation for SrZrS3 / Pnma (62) Phonon band structure, phonon DOS, thermal properties at constant volume, and phonon ...
Keyword:
Phonon
,
Pnma (62)
, and
SrZrS3
Resource Type:
Dataset
Data origin:
simulation
Author:
Atsushi Togo
Date Uploaded:
15/05/2023
Ab-initio phonon calculation for SrHCl / P4/nmm (129) / materials id 23860
Description/Abstract:
Ab-initio phonon calculation for SrHCl / P4/nmm (129) Phonon band structure, phonon DOS, thermal properties at constant volume, and phono...
Keyword:
P4/nmm (129)
,
Phonon
, and
SrHCl
Resource Type:
Dataset
Data origin:
simulation
Author:
Atsushi Togo
Date Uploaded:
15/05/2023
Ab-initio phonon calculation for K2Zn(SiO3)2 / C222_1 (20) / materials id 555318
Description/Abstract:
Ab-initio phonon calculation for K2Zn(SiO3)2 / C222_1 (20) Phonon band structure, phonon DOS, thermal properties at constant volume, and ...
Keyword:
C222_1 (20)
,
K2Zn(SiO3)2
, and
Phonon
Resource Type:
Dataset
Data origin:
simulation
Author:
Atsushi Togo
Date Uploaded:
15/05/2023
Ab-initio phonon calculation for RbMnBr3 / P6_3/mmc (194) / materials id 29763
Description/Abstract:
Ab-initio phonon calculation for RbMnBr3 / P6_3/mmc (194) Phonon band structure, phonon DOS, thermal properties at constant volume, and p...
Keyword:
P6_3/mmc (194)
,
Phonon
, and
RbMnBr3
Resource Type:
Dataset
Data origin:
simulation
Author:
Atsushi Togo
Date Uploaded:
15/05/2023
Ab-initio phonon calculation for Be2C / Fm-3m (225) / materials id 1569
Description/Abstract:
Ab-initio phonon calculation for Be2C / Fm-3m (225) Phonon band structure, phonon DOS, thermal properties at constant volume, and phonon ...
Keyword:
Be2C
,
Fm-3m (225)
, and
Phonon
Resource Type:
Dataset
Data origin:
simulation
Author:
Atsushi Togo
Date Uploaded:
15/05/2023
Ab-initio phonon calculation for Al(PO3)3 / Cc (9) / materials id 540549
Description/Abstract:
Ab-initio phonon calculation for Al(PO3)3 / Cc (9) Phonon band structure, phonon DOS, thermal properties at constant volume, and phonon r...
Keyword:
Al(PO3)3
,
Cc (9)
, and
Phonon
Resource Type:
Dataset
Data origin:
simulation
Author:
Atsushi Togo
Date Uploaded:
15/05/2023
Ab-initio phonon calculation for RbNb4Cl11 / Pmma (51) / materials id 30107
Description/Abstract:
Ab-initio phonon calculation for RbNb4Cl11 / Pmma (51) Phonon band structure, phonon DOS, thermal properties at constant volume, and phon...
Keyword:
Phonon
,
Pmma (51)
, and
RbNb4Cl11
Resource Type:
Dataset
Data origin:
simulation
Author:
Atsushi Togo
Date Uploaded:
15/05/2023
Ab-initio phonon calculation for K6Si2O7 / P2_1/c (14) / materials id 30990
Description/Abstract:
Ab-initio phonon calculation for K6Si2O7 / P2_1/c (14) Phonon band structure, phonon DOS, thermal properties at constant volume, and phon...
Keyword:
K6Si2O7
,
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 Ho2SiSeO4 / Pbcm (57) / materials id 18584
Description/Abstract:
Ab-initio phonon calculation for Ho2SiSeO4 / Pbcm (57) Phonon band structure, phonon DOS, thermal properties at constant volume, and phon...
Keyword:
Ho2SiSeO4
,
Pbcm (57)
, and
Phonon
Resource Type:
Dataset
Data origin:
simulation
Author:
Atsushi Togo
Date Uploaded:
15/05/2023
Ab-initio phonon calculation for K3Nd(AsS4)2 / C2/c (15) / materials id 559059
Description/Abstract:
Ab-initio phonon calculation for K3Nd(AsS4)2 / C2/c (15) Phonon band structure, phonon DOS, thermal properties at constant volume, and ph...
Keyword:
C2/c (15)
,
K3Nd(AsS4)2
, and
Phonon
Resource Type:
Dataset
Data origin:
simulation
Author:
Atsushi Togo
Date Uploaded:
15/05/2023
Ab-initio phonon calculation for Er2GeO5 / P2_1/c (14) / materials id 773910
Description/Abstract:
Ab-initio phonon calculation for Er2GeO5 / P2_1/c (14) Phonon band structure, phonon DOS, thermal properties at constant volume, and phon...
Keyword:
Er2GeO5
,
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 BaPSe3 / P2_1/c (14) / materials id 11008
Description/Abstract:
Ab-initio phonon calculation for BaPSe3 / P2_1/c (14) Phonon band structure, phonon DOS, thermal properties at constant volume, and phono...
Keyword:
BaPSe3
,
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 NaBi(PO3)4 / P2_1/c (14) / materials id 23621
Description/Abstract:
Ab-initio phonon calculation for NaBi(PO3)4 / P2_1/c (14) Phonon band structure, phonon DOS, thermal properties at constant volume, and p...
Keyword:
NaBi(PO3)4
,
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 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
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10,034
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MDR phonon calculation database
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10,034
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Creative Commons BY Attribution 4.0 International
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Atsushi Togo
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