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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 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 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 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 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 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 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 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 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 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 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 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 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 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 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 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 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 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 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 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 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 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 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 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 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 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 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 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 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 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 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 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 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 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 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 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 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 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 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 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 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 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 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 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 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 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 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 Tl4SnS4 / P2_1/c (14) / materials id 5818
Description/Abstract:
Ab-initio phonon calculation for Tl4SnS4 / P2_1/c (14) Phonon band structure, phonon DOS, thermal properties at constant volume, and phon...
Keyword:
P2_1/c (14)
,
Phonon
, and
Tl4SnS4
Resource Type:
Dataset
Data origin:
simulation
Author:
Atsushi Togo
Date Uploaded:
15/05/2023
Ab-initio phonon calculation for Sr4GeP4 / P-43n (218) / materials id 14213
Description/Abstract:
Ab-initio phonon calculation for Sr4GeP4 / P-43n (218) Phonon band structure, phonon DOS, thermal properties at constant volume, and phon...
Keyword:
P-43n (218)
,
Phonon
, and
Sr4GeP4
Resource Type:
Dataset
Data origin:
simulation
Author:
Atsushi Togo
Date Uploaded:
15/05/2023
Ab-initio phonon calculation for Cs2Te13 / Pbcm (57) / materials id 505464
Description/Abstract:
Ab-initio phonon calculation for Cs2Te13 / Pbcm (57) Phonon band structure, phonon DOS, thermal properties at constant volume, and phonon...
Keyword:
Cs2Te13
,
Pbcm (57)
, and
Phonon
Resource Type:
Dataset
Data origin:
simulation
Author:
Atsushi Togo
Date Uploaded:
15/05/2023
Ab-initio phonon calculation for Sr2LiIn(B2O5)2 / P2_1/c (14) / materials id 14854
Description/Abstract:
Ab-initio phonon calculation for Sr2LiIn(B2O5)2 / P2_1/c (14) Phonon band structure, phonon DOS, thermal properties at constant volume, a...
Keyword:
P2_1/c (14)
,
Phonon
, and
Sr2LiIn(B2O5)2
Resource Type:
Dataset
Data origin:
simulation
Author:
Atsushi Togo
Date Uploaded:
15/05/2023
Ab-initio phonon calculation for CsEr(NbBr3)6 / P-31c (163) / materials id 569903
Description/Abstract:
Ab-initio phonon calculation for CsEr(NbBr3)6 / P-31c (163) Phonon band structure, phonon DOS, thermal properties at constant volume, and...
Keyword:
CsEr(NbBr3)6
,
P-31c (163)
, and
Phonon
Resource Type:
Dataset
Data origin:
simulation
Author:
Atsushi Togo
Date Uploaded:
15/05/2023
Ab-initio phonon calculation for CuAg3S2 / I4_1/a (88) / materials id 644883
Description/Abstract:
Ab-initio phonon calculation for CuAg3S2 / I4_1/a (88) Phonon band structure, phonon DOS, thermal properties at constant volume, and phon...
Keyword:
CuAg3S2
,
I4_1/a (88)
, and
Phonon
Resource Type:
Dataset
Data origin:
simulation
Author:
Atsushi Togo
Date Uploaded:
15/05/2023
Ab-initio phonon calculation for LaBrO / P4/nmm (129) / materials id 23023
Description/Abstract:
Ab-initio phonon calculation for LaBrO / P4/nmm (129) Phonon band structure, phonon DOS, thermal properties at constant volume, and phono...
Keyword:
LaBrO
,
P4/nmm (129)
, and
Phonon
Resource Type:
Dataset
Data origin:
simulation
Author:
Atsushi Togo
Date Uploaded:
15/05/2023
Ab-initio phonon calculation for Cd2AsCl2 / P2_1/c (14) / materials id 27776
Description/Abstract:
Ab-initio phonon calculation for Cd2AsCl2 / P2_1/c (14) Phonon band structure, phonon DOS, thermal properties at constant volume, and pho...
Keyword:
Cd2AsCl2
,
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 Sr5U3O14 / Pbca (61) / materials id 29743
Description/Abstract:
Ab-initio phonon calculation for Sr5U3O14 / Pbca (61) Phonon band structure, phonon DOS, thermal properties at constant volume, and phono...
Keyword:
Pbca (61)
,
Phonon
, and
Sr5U3O14
Resource Type:
Dataset
Data origin:
simulation
Author:
Atsushi Togo
Date Uploaded:
15/05/2023
Ab-initio phonon calculation for Mg3B7ClO13 / Pca2_1 (29) / materials id 23087
Description/Abstract:
Ab-initio phonon calculation for Mg3B7ClO13 / Pca2_1 (29) Phonon band structure, phonon DOS, thermal properties at constant volume, and p...
Keyword:
Mg3B7ClO13
,
Pca2_1 (29)
, and
Phonon
Resource Type:
Dataset
Data origin:
simulation
Author:
Atsushi Togo
Date Uploaded:
15/05/2023
Ab-initio phonon calculation for KRb2BiF6 / Fm-3m (225) / materials id 554941
Description/Abstract:
Ab-initio phonon calculation for KRb2BiF6 / Fm-3m (225) Phonon band structure, phonon DOS, thermal properties at constant volume, and pho...
Keyword:
Fm-3m (225)
,
KRb2BiF6
, and
Phonon
Resource Type:
Dataset
Data origin:
simulation
Author:
Atsushi Togo
Date Uploaded:
15/05/2023
Ab-initio phonon calculation for K3Nb3(BO6)2 / Pmc2_1 (26) / materials id 557711
Description/Abstract:
Ab-initio phonon calculation for K3Nb3(BO6)2 / Pmc2_1 (26) Phonon band structure, phonon DOS, thermal properties at constant volume, and ...
Keyword:
K3Nb3(BO6)2
,
Phonon
, and
Pmc2_1 (26)
Resource Type:
Dataset
Data origin:
simulation
Author:
Atsushi Togo
Date Uploaded:
15/05/2023
Ab-initio phonon calculation for K2Pb(SO4)2 / R-3m (166) / materials id 21099
Description/Abstract:
Ab-initio phonon calculation for K2Pb(SO4)2 / R-3m (166) Phonon band structure, phonon DOS, thermal properties at constant volume, and ph...
Keyword:
K2Pb(SO4)2
,
Phonon
, and
R-3m (166)
Resource Type:
Dataset
Data origin:
simulation
Author:
Atsushi Togo
Date Uploaded:
15/05/2023
Ab-initio phonon calculation for AsH6NO4 / I-42d (122) / materials id 703470
Description/Abstract:
Ab-initio phonon calculation for AsH6NO4 / I-42d (122) Phonon band structure, phonon DOS, thermal properties at constant volume, and phon...
Keyword:
AsH6NO4
,
I-42d (122)
, and
Phonon
Resource Type:
Dataset
Data origin:
simulation
Author:
Atsushi Togo
Date Uploaded:
15/05/2023
Ab-initio phonon calculation for Rb6Si10O23 / P-62m (189) / materials id 561189
Description/Abstract:
Ab-initio phonon calculation for Rb6Si10O23 / P-62m (189) Phonon band structure, phonon DOS, thermal properties at constant volume, and p...
Keyword:
P-62m (189)
,
Phonon
, and
Rb6Si10O23
Resource Type:
Dataset
Data origin:
simulation
Author:
Atsushi Togo
Date Uploaded:
15/05/2023
Ab-initio phonon calculation for Na4HgP2 / R-3m (166) / materials id 28591
Description/Abstract:
Ab-initio phonon calculation for Na4HgP2 / R-3m (166) Phonon band structure, phonon DOS, thermal properties at constant volume, and phono...
Keyword:
Na4HgP2
,
Phonon
, and
R-3m (166)
Resource Type:
Dataset
Data origin:
simulation
Author:
Atsushi Togo
Date Uploaded:
15/05/2023
Ab-initio phonon calculation for Sm(HO)3 / P2_1/m (11) / materials id 625409
Description/Abstract:
Ab-initio phonon calculation for Sm(HO)3 / P2_1/m (11) Phonon band structure, phonon DOS, thermal properties at constant volume, and phon...
Keyword:
P2_1/m (11)
,
Phonon
, and
Sm(HO)3
Resource Type:
Dataset
Data origin:
simulation
Author:
Atsushi Togo
Date Uploaded:
15/05/2023
Ab-initio phonon calculation for YAg3(PS4)2 / C2/c (15) / materials id 561467
Description/Abstract:
Ab-initio phonon calculation for YAg3(PS4)2 / C2/c (15) Phonon band structure, phonon DOS, thermal properties at constant volume, and pho...
Keyword:
C2/c (15)
,
Phonon
, and
YAg3(PS4)2
Resource Type:
Dataset
Data origin:
simulation
Author:
Atsushi Togo
Date Uploaded:
15/05/2023
Ab-initio phonon calculation for KCrP2S7 / C2 (5) / materials id 7147
Description/Abstract:
Ab-initio phonon calculation for KCrP2S7 / C2 (5) Phonon band structure, phonon DOS, thermal properties at constant volume, and phonon ra...
Keyword:
C2 (5)
,
KCrP2S7
, and
Phonon
Resource Type:
Dataset
Data origin:
simulation
Author:
Atsushi Togo
Date Uploaded:
15/05/2023
Ab-initio phonon calculation for In2Si2O7 / C2/m (12) / materials id 2874
Description/Abstract:
Ab-initio phonon calculation for In2Si2O7 / C2/m (12) Phonon band structure, phonon DOS, thermal properties at constant volume, and phono...
Keyword:
C2/m (12)
,
In2Si2O7
, and
Phonon
Resource Type:
Dataset
Data origin:
simulation
Author:
Atsushi Togo
Date Uploaded:
15/05/2023
Ab-initio phonon calculation for Na2Sr(PO3)4 / P4/nbm (125) / materials id 540951
Description/Abstract:
Ab-initio phonon calculation for Na2Sr(PO3)4 / P4/nbm (125) Phonon band structure, phonon DOS, thermal properties at constant volume, and...
Keyword:
Na2Sr(PO3)4
,
P4/nbm (125)
, and
Phonon
Resource Type:
Dataset
Data origin:
simulation
Author:
Atsushi Togo
Date Uploaded:
15/05/2023
Ab-initio phonon calculation for Nd4Te3N2 / Pnma (62) / materials id 570646
Description/Abstract:
Ab-initio phonon calculation for Nd4Te3N2 / Pnma (62) Phonon band structure, phonon DOS, thermal properties at constant volume, and phono...
Keyword:
Nd4Te3N2
,
Phonon
, and
Pnma (62)
Resource Type:
Dataset
Data origin:
simulation
Author:
Atsushi Togo
Date Uploaded:
15/05/2023
Ab-initio phonon calculation for Cs2RbTlF6 / Fm-3m (225) / materials id 989567
Description/Abstract:
Ab-initio phonon calculation for Cs2RbTlF6 / Fm-3m (225) Phonon band structure, phonon DOS, thermal properties at constant volume, and ph...
Keyword:
Cs2RbTlF6
,
Fm-3m (225)
, and
Phonon
Resource Type:
Dataset
Data origin:
simulation
Author:
Atsushi Togo
Date Uploaded:
15/05/2023
Ab-initio phonon calculation for Ca5P8 / C2/m (12) / materials id 28879
Description/Abstract:
Ab-initio phonon calculation for Ca5P8 / C2/m (12) Phonon band structure, phonon DOS, thermal properties at constant volume, and phonon r...
Keyword:
C2/m (12)
,
Ca5P8
, and
Phonon
Resource Type:
Dataset
Data origin:
simulation
Author:
Atsushi Togo
Date Uploaded:
15/05/2023
Ab-initio phonon calculation for Ba4Sn3O10 / Cmce (64) / materials id 772086
Description/Abstract:
Ab-initio phonon calculation for Ba4Sn3O10 / Cmce (64) Phonon band structure, phonon DOS, thermal properties at constant volume, and phon...
Keyword:
Ba4Sn3O10
,
Cmce (64)
, and
Phonon
Resource Type:
Dataset
Data origin:
simulation
Author:
Atsushi Togo
Date Uploaded:
15/05/2023
Ab-initio phonon calculation for Cs2U(Br2O)2 / P2_1/c (14) / materials id 572551
Description/Abstract:
Ab-initio phonon calculation for Cs2U(Br2O)2 / P2_1/c (14) Phonon band structure, phonon DOS, thermal properties at constant volume, and ...
Keyword:
Cs2U(Br2O)2
,
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 Nd2Si2O7 / P2_12_12_1 (19) / materials id 556771
Description/Abstract:
Ab-initio phonon calculation for Nd2Si2O7 / P2_12_12_1 (19) Phonon band structure, phonon DOS, thermal properties at constant volume, and...
Keyword:
Nd2Si2O7
,
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 Sm3Si6N11 / P4bm (100) / materials id 16995
Description/Abstract:
Ab-initio phonon calculation for Sm3Si6N11 / P4bm (100) Phonon band structure, phonon DOS, thermal properties at constant volume, and pho...
Keyword:
P4bm (100)
,
Phonon
, and
Sm3Si6N11
Resource Type:
Dataset
Data origin:
simulation
Author:
Atsushi Togo
Date Uploaded:
15/05/2023
Ab-initio phonon calculation for RbClO4 / F-43m (216) / materials id 550759
Description/Abstract:
Ab-initio phonon calculation for RbClO4 / F-43m (216) Phonon band structure, phonon DOS, thermal properties at constant volume, and phono...
Keyword:
F-43m (216)
,
Phonon
, and
RbClO4
Resource Type:
Dataset
Data origin:
simulation
Author:
Atsushi Togo
Date Uploaded:
15/05/2023
Ab-initio phonon calculation for K2Mg2O3 / P2_1/c (14) / materials id 753662
Description/Abstract:
Ab-initio phonon calculation for K2Mg2O3 / P2_1/c (14) Phonon band structure, phonon DOS, thermal properties at constant volume, and phon...
Keyword:
K2Mg2O3
,
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 LiBiF4 / I4_1/a (88) / materials id 28567
Description/Abstract:
Ab-initio phonon calculation for LiBiF4 / I4_1/a (88) Phonon band structure, phonon DOS, thermal properties at constant volume, and phono...
Keyword:
I4_1/a (88)
,
LiBiF4
, and
Phonon
Resource Type:
Dataset
Data origin:
simulation
Author:
Atsushi Togo
Date Uploaded:
15/05/2023
Ab-initio phonon calculation for Na3Mg2P5O16 / P2/c (13) / materials id 555005
Description/Abstract:
Ab-initio phonon calculation for Na3Mg2P5O16 / P2/c (13) Phonon band structure, phonon DOS, thermal properties at constant volume, and ph...
Keyword:
Na3Mg2P5O16
,
P2/c (13)
, and
Phonon
Resource Type:
Dataset
Data origin:
simulation
Author:
Atsushi Togo
Date Uploaded:
15/05/2023
Ab-initio phonon calculation for NdAg(PO3)4 / P2_1/c (14) / materials id 541041
Description/Abstract:
Ab-initio phonon calculation for NdAg(PO3)4 / P2_1/c (14) Phonon band structure, phonon DOS, thermal properties at constant volume, and p...
Keyword:
NdAg(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 MgUB2O7 / Pbcm (57) / materials id 557384
Description/Abstract:
Ab-initio phonon calculation for MgUB2O7 / Pbcm (57) Phonon band structure, phonon DOS, thermal properties at constant volume, and phonon...
Keyword:
MgUB2O7
,
Pbcm (57)
, and
Phonon
Resource Type:
Dataset
Data origin:
simulation
Author:
Atsushi Togo
Date Uploaded:
15/05/2023
Ab-initio phonon calculation for Mg(AlSe2)2 / R-3m (166) / materials id 9479
Description/Abstract:
Ab-initio phonon calculation for Mg(AlSe2)2 / R-3m (166) Phonon band structure, phonon DOS, thermal properties at constant volume, and ph...
Keyword:
Mg(AlSe2)2
,
Phonon
, and
R-3m (166)
Resource Type:
Dataset
Data origin:
simulation
Author:
Atsushi Togo
Date Uploaded:
15/05/2023
Ab-initio phonon calculation for Ba(SbS2)2 / P2_1/c (14) / materials id 28129
Description/Abstract:
Ab-initio phonon calculation for Ba(SbS2)2 / P2_1/c (14) Phonon band structure, phonon DOS, thermal properties at constant volume, and ph...
Keyword:
Ba(SbS2)2
,
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 YOF / P4/nmm (129) / materials id 10219
Description/Abstract:
Ab-initio phonon calculation for YOF / P4/nmm (129) Phonon band structure, phonon DOS, thermal properties at constant volume, and phonon ...
Keyword:
P4/nmm (129)
,
Phonon
, and
YOF
Resource Type:
Dataset
Data origin:
simulation
Author:
Atsushi Togo
Date Uploaded:
15/05/2023
Ab-initio phonon calculation for BaB4O7 / Pnma (62) / materials id 556974
Description/Abstract:
Ab-initio phonon calculation for BaB4O7 / Pnma (62) Phonon band structure, phonon DOS, thermal properties at constant volume, and phonon ...
Keyword:
BaB4O7
,
Phonon
, and
Pnma (62)
Resource Type:
Dataset
Data origin:
simulation
Author:
Atsushi Togo
Date Uploaded:
15/05/2023
Ab-initio phonon calculation for Sm2O3 / Ia-3 (206) / materials id 218
Description/Abstract:
Ab-initio phonon calculation for Sm2O3 / Ia-3 (206) Phonon band structure, phonon DOS, thermal properties at constant volume, and phonon ...
Keyword:
Ia-3 (206)
,
Phonon
, and
Sm2O3
Resource Type:
Dataset
Data origin:
simulation
Author:
Atsushi Togo
Date Uploaded:
15/05/2023
Ab-initio phonon calculation for SrAgB7O12 / C2/c (15) / materials id 554259
Description/Abstract:
Ab-initio phonon calculation for SrAgB7O12 / C2/c (15) Phonon band structure, phonon DOS, thermal properties at constant volume, and phon...
Keyword:
C2/c (15)
,
Phonon
, and
SrAgB7O12
Resource Type:
Dataset
Data origin:
simulation
Author:
Atsushi Togo
Date Uploaded:
15/05/2023
Ab-initio phonon calculation for Rb3P6N11 / P4_132 (213) / materials id 16107
Description/Abstract:
Ab-initio phonon calculation for Rb3P6N11 / P4_132 (213) Phonon band structure, phonon DOS, thermal properties at constant volume, and ph...
Keyword:
P4_132 (213)
,
Phonon
, and
Rb3P6N11
Resource Type:
Dataset
Data origin:
simulation
Author:
Atsushi Togo
Date Uploaded:
15/05/2023
Ab-initio phonon calculation for NaGe2N3 / Cmc2_1 (36) / materials id 14433
Description/Abstract:
Ab-initio phonon calculation for NaGe2N3 / Cmc2_1 (36) Phonon band structure, phonon DOS, thermal properties at constant volume, and phon...
Keyword:
Cmc2_1 (36)
,
NaGe2N3
, and
Phonon
Resource Type:
Dataset
Data origin:
simulation
Author:
Atsushi Togo
Date Uploaded:
15/05/2023
Ab-initio phonon calculation for Rb2NaHoF6 / Fm-3m (225) / materials id 15317
Description/Abstract:
Ab-initio phonon calculation for Rb2NaHoF6 / Fm-3m (225) Phonon band structure, phonon DOS, thermal properties at constant volume, and ph...
Keyword:
Fm-3m (225)
,
Phonon
, and
Rb2NaHoF6
Resource Type:
Dataset
Data origin:
simulation
Author:
Atsushi Togo
Date Uploaded:
15/05/2023
Ab-initio phonon calculation for Sr4TiP4 / P-43n (218) / materials id 15500
Description/Abstract:
Ab-initio phonon calculation for Sr4TiP4 / P-43n (218) Phonon band structure, phonon DOS, thermal properties at constant volume, and phon...
Keyword:
P-43n (218)
,
Phonon
, and
Sr4TiP4
Resource Type:
Dataset
Data origin:
simulation
Author:
Atsushi Togo
Date Uploaded:
15/05/2023
Ab-initio phonon calculation for K2CuSb / Cmcm (63) / materials id 10381
Description/Abstract:
Ab-initio phonon calculation for K2CuSb / Cmcm (63) Phonon band structure, phonon DOS, thermal properties at constant volume, and phonon ...
Keyword:
Cmcm (63)
,
K2CuSb
, and
Phonon
Resource Type:
Dataset
Data origin:
simulation
Author:
Atsushi Togo
Date Uploaded:
15/05/2023
Ab-initio phonon calculation for NdSeF / P4/nmm (129) / materials id 12620
Description/Abstract:
Ab-initio phonon calculation for NdSeF / P4/nmm (129) Phonon band structure, phonon DOS, thermal properties at constant volume, and phono...
Keyword:
NdSeF
,
P4/nmm (129)
, and
Phonon
Resource Type:
Dataset
Data origin:
simulation
Author:
Atsushi Togo
Date Uploaded:
15/05/2023
Ab-initio phonon calculation for MgSn(BO3)2 / R-3 (148) / materials id 11715
Description/Abstract:
Ab-initio phonon calculation for MgSn(BO3)2 / R-3 (148) Phonon band structure, phonon DOS, thermal properties at constant volume, and pho...
Keyword:
MgSn(BO3)2
,
Phonon
, and
R-3 (148)
Resource Type:
Dataset
Data origin:
simulation
Author:
Atsushi Togo
Date Uploaded:
15/05/2023
Ab-initio phonon calculation for Mg(ReO4)2 / P31m (157) / materials id 768770
Description/Abstract:
Ab-initio phonon calculation for Mg(ReO4)2 / P31m (157) Phonon band structure, phonon DOS, thermal properties at constant volume, and pho...
Keyword:
Mg(ReO4)2
,
P31m (157)
, and
Phonon
Resource Type:
Dataset
Data origin:
simulation
Author:
Atsushi Togo
Date Uploaded:
15/05/2023
Ab-initio phonon calculation for NaLi2BO3 / P2_1/c (14) / materials id 560189
Description/Abstract:
Ab-initio phonon calculation for NaLi2BO3 / P2_1/c (14) Phonon band structure, phonon DOS, thermal properties at constant volume, and pho...
Keyword:
NaLi2BO3
,
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 K2CuSbS3 / P2_1/c (14) / materials id 554343
Description/Abstract:
Ab-initio phonon calculation for K2CuSbS3 / P2_1/c (14) Phonon band structure, phonon DOS, thermal properties at constant volume, and pho...
Keyword:
K2CuSbS3
,
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 TbOF / R-3m (166) / materials id 14093
Description/Abstract:
Ab-initio phonon calculation for TbOF / R-3m (166) Phonon band structure, phonon DOS, thermal properties at constant volume, and phonon r...
Keyword:
Phonon
,
R-3m (166)
, and
TbOF
Resource Type:
Dataset
Data origin:
simulation
Author:
Atsushi Togo
Date Uploaded:
15/05/2023
Ab-initio phonon calculation for Na3BiBAsO7 / P2_1/m (11) / materials id 770475
Description/Abstract:
Ab-initio phonon calculation for Na3BiBAsO7 / P2_1/m (11) Phonon band structure, phonon DOS, thermal properties at constant volume, and p...
Keyword:
Na3BiBAsO7
,
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 Ta9PO25 / I-4 (82) / materials id 770481
Description/Abstract:
Ab-initio phonon calculation for Ta9PO25 / I-4 (82) Phonon band structure, phonon DOS, thermal properties at constant volume, and phonon ...
Keyword:
I-4 (82)
,
Phonon
, and
Ta9PO25
Resource Type:
Dataset
Data origin:
simulation
Author:
Atsushi Togo
Date Uploaded:
15/05/2023
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10,137
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MDR phonon calculation database
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Lattice thermal conductivity calculation datasets for 103 binary compounds by finite displacement method
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10,137
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