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Ab-initio phonon calculation for Sb2O3 / Fd-3m (227) / materials id 1999
Description/Abstract:
Ab-initio phonon calculation for Sb2O3 / Fd-3m (227) Phonon band structure, phonon DOS, thermal properties at constant volume, and phonon...
Keyword:
Fd-3m (227)
,
Phonon
, and
Sb2O3
Resource Type:
Dataset
Data origin:
simulation
Author:
Atsushi Togo
Date Uploaded:
26/05/2023
Ab-initio phonon calculation for Li3BiO4 / P4_2/mnm (136) / materials id 557738
Description/Abstract:
Ab-initio phonon calculation for Li3BiO4 / P4_2/mnm (136) Phonon band structure, phonon DOS, thermal properties at constant volume, and p...
Keyword:
Li3BiO4
,
P4_2/mnm (136)
, and
Phonon
Resource Type:
Dataset
Data origin:
simulation
Author:
Atsushi Togo
Date Uploaded:
26/05/2023
Ab-initio phonon calculation for Tb(HO)3 / P2_1/m (11) / materials id 625415
Description/Abstract:
Ab-initio phonon calculation for Tb(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
Tb(HO)3
Resource Type:
Dataset
Data origin:
simulation
Author:
Atsushi Togo
Date Uploaded:
26/05/2023
Ab-initio phonon calculation for CsTm2Cu3Se5 / Cmcm (63) / materials id 581749
Description/Abstract:
Ab-initio phonon calculation for CsTm2Cu3Se5 / Cmcm (63) Phonon band structure, phonon DOS, thermal properties at constant volume, and ph...
Keyword:
Cmcm (63)
,
CsTm2Cu3Se5
, and
Phonon
Resource Type:
Dataset
Data origin:
simulation
Author:
Atsushi Togo
Date Uploaded:
26/05/2023
Ab-initio phonon calculation for Mg2PtO4 / Imma (74) / materials id 33940
Description/Abstract:
Ab-initio phonon calculation for Mg2PtO4 / Imma (74) Phonon band structure, phonon DOS, thermal properties at constant volume, and phonon...
Keyword:
Imma (74)
,
Mg2PtO4
, and
Phonon
Resource Type:
Dataset
Data origin:
simulation
Author:
Atsushi Togo
Date Uploaded:
26/05/2023
Ab-initio phonon calculation for KZr2(AsO4)3 / R-3c (167) / materials id 541282
Description/Abstract:
Ab-initio phonon calculation for KZr2(AsO4)3 / R-3c (167) Phonon band structure, phonon DOS, thermal properties at constant volume, and p...
Keyword:
KZr2(AsO4)3
,
Phonon
, and
R-3c (167)
Resource Type:
Dataset
Data origin:
simulation
Author:
Atsushi Togo
Date Uploaded:
26/05/2023
Ab-initio phonon calculation for Li2MgTi3O8 / P2_13 (198) / materials id 774752
Description/Abstract:
Ab-initio phonon calculation for Li2MgTi3O8 / P2_13 (198) Phonon band structure, phonon DOS, thermal properties at constant volume, and p...
Keyword:
Li2MgTi3O8
,
P2_13 (198)
, and
Phonon
Resource Type:
Dataset
Data origin:
simulation
Author:
Atsushi Togo
Date Uploaded:
26/05/2023
Ab-initio phonon calculation for Sm2TiO5 / Pnma (62) / materials id 770806
Description/Abstract:
Ab-initio phonon calculation for Sm2TiO5 / Pnma (62) Phonon band structure, phonon DOS, thermal properties at constant volume, and phonon...
Keyword:
Phonon
,
Pnma (62)
, and
Sm2TiO5
Resource Type:
Dataset
Data origin:
simulation
Author:
Atsushi Togo
Date Uploaded:
26/05/2023
Ab-initio phonon calculation for TmAgTe2 / P-3m1 (164) / materials id 12953
Description/Abstract:
Ab-initio phonon calculation for TmAgTe2 / P-3m1 (164) Phonon band structure, phonon DOS, thermal properties at constant volume, and phon...
Keyword:
P-3m1 (164)
,
Phonon
, and
TmAgTe2
Resource Type:
Dataset
Data origin:
simulation
Author:
Atsushi Togo
Date Uploaded:
26/05/2023
Ab-initio phonon calculation for IO2F / P2_12_12_1 (19) / materials id 29946
Description/Abstract:
Ab-initio phonon calculation for IO2F / P2_12_12_1 (19) Phonon band structure, phonon DOS, thermal properties at constant volume, and pho...
Keyword:
IO2F
,
P2_12_12_1 (19)
, and
Phonon
Resource Type:
Dataset
Data origin:
simulation
Author:
Atsushi Togo
Date Uploaded:
26/05/2023
Ab-initio phonon calculation for Rb3Ge2Br7 / P2_1/c (14) / materials id 28589
Description/Abstract:
Ab-initio phonon calculation for Rb3Ge2Br7 / P2_1/c (14) Phonon band structure, phonon DOS, thermal properties at constant volume, and ph...
Keyword:
P2_1/c (14)
,
Phonon
, and
Rb3Ge2Br7
Resource Type:
Dataset
Data origin:
simulation
Author:
Atsushi Togo
Date Uploaded:
26/05/2023
Ab-initio phonon calculation for LiNbO3 / R3c (161) / materials id 3731
Description/Abstract:
Ab-initio phonon calculation for LiNbO3 / R3c (161) Phonon band structure, phonon DOS, thermal properties at constant volume, and phonon ...
Keyword:
LiNbO3
,
Phonon
, and
R3c (161)
Resource Type:
Dataset
Data origin:
simulation
Author:
Atsushi Togo
Date Uploaded:
26/05/2023
Ab-initio phonon calculation for LiMgAsO4 / Pnma (62) / materials id 8870
Description/Abstract:
Ab-initio phonon calculation for LiMgAsO4 / Pnma (62) Phonon band structure, phonon DOS, thermal properties at constant volume, and phono...
Keyword:
LiMgAsO4
,
Phonon
, and
Pnma (62)
Resource Type:
Dataset
Data origin:
simulation
Author:
Atsushi Togo
Date Uploaded:
26/05/2023
Ab-initio phonon calculation for Cd2GaAgS4 / Pmn2_1 (31) / materials id 6356
Description/Abstract:
Ab-initio phonon calculation for Cd2GaAgS4 / Pmn2_1 (31) Phonon band structure, phonon DOS, thermal properties at constant volume, and ph...
Keyword:
Cd2GaAgS4
,
Phonon
, and
Pmn2_1 (31)
Resource Type:
Dataset
Data origin:
simulation
Author:
Atsushi Togo
Date Uploaded:
26/05/2023
Ab-initio phonon calculation for KTi2(PO4)3 / R-3c (167) / materials id 541238
Description/Abstract:
Ab-initio phonon calculation for KTi2(PO4)3 / R-3c (167) Phonon band structure, phonon DOS, thermal properties at constant volume, and ph...
Keyword:
KTi2(PO4)3
,
Phonon
, and
R-3c (167)
Resource Type:
Dataset
Data origin:
simulation
Author:
Atsushi Togo
Date Uploaded:
26/05/2023
Ab-initio phonon calculation for BaTi4O9 / Pmmn (59) / materials id 3175
Description/Abstract:
Ab-initio phonon calculation for BaTi4O9 / Pmmn (59) Phonon band structure, phonon DOS, thermal properties at constant volume, and phonon...
Keyword:
BaTi4O9
,
Phonon
, and
Pmmn (59)
Resource Type:
Dataset
Data origin:
simulation
Author:
Atsushi Togo
Date Uploaded:
26/05/2023
Ab-initio phonon calculation for Si(Cu4S3)2 / Pmn2_1 (31) / materials id 13872
Description/Abstract:
Ab-initio phonon calculation for Si(Cu4S3)2 / Pmn2_1 (31) Phonon band structure, phonon DOS, thermal properties at constant volume, and p...
Keyword:
Phonon
,
Pmn2_1 (31)
, and
Si(Cu4S3)2
Resource Type:
Dataset
Data origin:
simulation
Author:
Atsushi Togo
Date Uploaded:
26/05/2023
Ab-initio phonon calculation for Na2Zn2O3 / P2_1/c (14) / materials id 8086
Description/Abstract:
Ab-initio phonon calculation for Na2Zn2O3 / P2_1/c (14) Phonon band structure, phonon DOS, thermal properties at constant volume, and pho...
Keyword:
Na2Zn2O3
,
P2_1/c (14)
, and
Phonon
Resource Type:
Dataset
Data origin:
simulation
Author:
Atsushi Togo
Date Uploaded:
26/05/2023
Ab-initio phonon calculation for Ti2Ag2P2S11 / Pnma (62) / materials id 623058
Description/Abstract:
Ab-initio phonon calculation for Ti2Ag2P2S11 / Pnma (62) Phonon band structure, phonon DOS, thermal properties at constant volume, and ph...
Keyword:
Phonon
,
Pnma (62)
, and
Ti2Ag2P2S11
Resource Type:
Dataset
Data origin:
simulation
Author:
Atsushi Togo
Date Uploaded:
26/05/2023
Ab-initio phonon calculation for Ca4Nb2O9 / P2_1/c (14) / materials id 31016
Description/Abstract:
Ab-initio phonon calculation for Ca4Nb2O9 / P2_1/c (14) Phonon band structure, phonon DOS, thermal properties at constant volume, and pho...
Keyword:
Ca4Nb2O9
,
P2_1/c (14)
, and
Phonon
Resource Type:
Dataset
Data origin:
simulation
Author:
Atsushi Togo
Date Uploaded:
26/05/2023
Ab-initio phonon calculation for BaHf(PO4)2 / C2/m (12) / materials id 545548
Description/Abstract:
Ab-initio phonon calculation for BaHf(PO4)2 / C2/m (12) Phonon band structure, phonon DOS, thermal properties at constant volume, and pho...
Keyword:
BaHf(PO4)2
,
C2/m (12)
, and
Phonon
Resource Type:
Dataset
Data origin:
simulation
Author:
Atsushi Togo
Date Uploaded:
26/05/2023
Ab-initio phonon calculation for ZrIN / Pmmn (59) / materials id 23052
Description/Abstract:
Ab-initio phonon calculation for ZrIN / Pmmn (59) Phonon band structure, phonon DOS, thermal properties at constant volume, and phonon ra...
Keyword:
Phonon
,
Pmmn (59)
, and
ZrIN
Resource Type:
Dataset
Data origin:
simulation
Author:
Atsushi Togo
Date Uploaded:
26/05/2023
Ab-initio phonon calculation for Li2U3P2O15 / I4_1/amd (141) / materials id 559539
Description/Abstract:
Ab-initio phonon calculation for Li2U3P2O15 / I4_1/amd (141) Phonon band structure, phonon DOS, thermal properties at constant volume, an...
Keyword:
I4_1/amd (141)
,
Li2U3P2O15
, and
Phonon
Resource Type:
Dataset
Data origin:
simulation
Author:
Atsushi Togo
Date Uploaded:
26/05/2023
Ab-initio phonon calculation for Ag2SO4 / Fddd (70) / materials id 5625
Description/Abstract:
Ab-initio phonon calculation for Ag2SO4 / Fddd (70) Phonon band structure, phonon DOS, thermal properties at constant volume, and phonon ...
Keyword:
Ag2SO4
,
Fddd (70)
, and
Phonon
Resource Type:
Dataset
Data origin:
simulation
Author:
Atsushi Togo
Date Uploaded:
26/05/2023
Ab-initio phonon calculation for Rh2O3 / R-3c (167) / materials id 542734
Description/Abstract:
Ab-initio phonon calculation for Rh2O3 / R-3c (167) Phonon band structure, phonon DOS, thermal properties at constant volume, and phonon ...
Keyword:
Phonon
,
R-3c (167)
, and
Rh2O3
Resource Type:
Dataset
Data origin:
simulation
Author:
Atsushi Togo
Date Uploaded:
26/05/2023
Ab-initio phonon calculation for K2Na3InO4 / Pnnm (58) / materials id 504962
Description/Abstract:
Ab-initio phonon calculation for K2Na3InO4 / Pnnm (58) Phonon band structure, phonon DOS, thermal properties at constant volume, and phon...
Keyword:
K2Na3InO4
,
Phonon
, and
Pnnm (58)
Resource Type:
Dataset
Data origin:
simulation
Author:
Atsushi Togo
Date Uploaded:
26/05/2023
Ab-initio phonon calculation for RbSi / P-43n (218) / materials id 1074
Description/Abstract:
Ab-initio phonon calculation for RbSi / P-43n (218) Phonon band structure, phonon DOS, thermal properties at constant volume, and phonon ...
Keyword:
P-43n (218)
,
Phonon
, and
RbSi
Resource Type:
Dataset
Data origin:
simulation
Author:
Atsushi Togo
Date Uploaded:
26/05/2023
Ab-initio phonon calculation for InSe / P6_3/mmc (194) / materials id 20485
Description/Abstract:
Ab-initio phonon calculation for InSe / P6_3/mmc (194) Phonon band structure, phonon DOS, thermal properties at constant volume, and phon...
Keyword:
InSe
,
P6_3/mmc (194)
, and
Phonon
Resource Type:
Dataset
Data origin:
simulation
Author:
Atsushi Togo
Date Uploaded:
26/05/2023
Ab-initio phonon calculation for Rb2Pd3Se4 / Fddd (70) / materials id 14340
Description/Abstract:
Ab-initio phonon calculation for Rb2Pd3Se4 / Fddd (70) Phonon band structure, phonon DOS, thermal properties at constant volume, and phon...
Keyword:
Fddd (70)
,
Phonon
, and
Rb2Pd3Se4
Resource Type:
Dataset
Data origin:
simulation
Author:
Atsushi Togo
Date Uploaded:
26/05/2023
Ab-initio phonon calculation for KPt2Se3 / R-3m (166) / materials id 14796
Description/Abstract:
Ab-initio phonon calculation for KPt2Se3 / R-3m (166) Phonon band structure, phonon DOS, thermal properties at constant volume, and phono...
Keyword:
KPt2Se3
,
Phonon
, and
R-3m (166)
Resource Type:
Dataset
Data origin:
simulation
Author:
Atsushi Togo
Date Uploaded:
26/05/2023
Ab-initio phonon calculation for Ba4Ti2PtO10 / Cmce (64) / materials id 558894
Description/Abstract:
Ab-initio phonon calculation for Ba4Ti2PtO10 / Cmce (64) Phonon band structure, phonon DOS, thermal properties at constant volume, and ph...
Keyword:
Ba4Ti2PtO10
,
Cmce (64)
, and
Phonon
Resource Type:
Dataset
Data origin:
simulation
Author:
Atsushi Togo
Date Uploaded:
26/05/2023
Ab-initio phonon calculation for Cs2AgAuCl6 / I4/mmm (139) / materials id 567776
Description/Abstract:
Ab-initio phonon calculation for Cs2AgAuCl6 / I4/mmm (139) Phonon band structure, phonon DOS, thermal properties at constant volume, and ...
Keyword:
Cs2AgAuCl6
,
I4/mmm (139)
, and
Phonon
Resource Type:
Dataset
Data origin:
simulation
Author:
Atsushi Togo
Date Uploaded:
26/05/2023
Ab-initio phonon calculation for AlBiTeCl4 / I-4 (82) / materials id 628665
Description/Abstract:
Ab-initio phonon calculation for AlBiTeCl4 / I-4 (82) Phonon band structure, phonon DOS, thermal properties at constant volume, and phono...
Keyword:
AlBiTeCl4
,
I-4 (82)
, and
Phonon
Resource Type:
Dataset
Data origin:
simulation
Author:
Atsushi Togo
Date Uploaded:
26/05/2023
Ab-initio phonon calculation for SbClO / P2_1/c (14) / materials id 504662
Description/Abstract:
Ab-initio phonon calculation for SbClO / P2_1/c (14) Phonon band structure, phonon DOS, thermal properties at constant volume, and phonon...
Keyword:
P2_1/c (14)
,
Phonon
, and
SbClO
Resource Type:
Dataset
Data origin:
simulation
Author:
Atsushi Togo
Date Uploaded:
26/05/2023
Ab-initio phonon calculation for MgSiO3 / C2/c (15) / materials id 4321
Description/Abstract:
Ab-initio phonon calculation for MgSiO3 / C2/c (15) Phonon band structure, phonon DOS, thermal properties at constant volume, and phonon ...
Keyword:
C2/c (15)
,
MgSiO3
, and
Phonon
Resource Type:
Dataset
Data origin:
simulation
Author:
Atsushi Togo
Date Uploaded:
26/05/2023
Ab-initio phonon calculation for CdI2 / P3m1 (156) / materials id 669326
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:
26/05/2023
Ab-initio phonon calculation for KScO2 / R-3m (166) / materials id 8188
Description/Abstract:
Ab-initio phonon calculation for KScO2 / R-3m (166) Phonon band structure, phonon DOS, thermal properties at constant volume, and phonon ...
Keyword:
KScO2
,
Phonon
, and
R-3m (166)
Resource Type:
Dataset
Data origin:
simulation
Author:
Atsushi Togo
Date Uploaded:
26/05/2023
Ab-initio phonon calculation for NaN3 / R-3m (166) / materials id 22003
Description/Abstract:
Ab-initio phonon calculation for NaN3 / R-3m (166) Phonon band structure, phonon DOS, thermal properties at constant volume, and phonon r...
Keyword:
NaN3
,
Phonon
, and
R-3m (166)
Resource Type:
Dataset
Data origin:
simulation
Author:
Atsushi Togo
Date Uploaded:
26/05/2023
Ab-initio phonon calculation for NdH3(CO2)3 / R3m (160) / materials id 23837
Description/Abstract:
Ab-initio phonon calculation for NdH3(CO2)3 / R3m (160) Phonon band structure, phonon DOS, thermal properties at constant volume, and pho...
Keyword:
NdH3(CO2)3
,
Phonon
, and
R3m (160)
Resource Type:
Dataset
Data origin:
simulation
Author:
Atsushi Togo
Date Uploaded:
26/05/2023
Ab-initio phonon calculation for LaCN2F / Cmcm (63) / materials id 556405
Description/Abstract:
Ab-initio phonon calculation for LaCN2F / Cmcm (63) Phonon band structure, phonon DOS, thermal properties at constant volume, and phonon ...
Keyword:
Cmcm (63)
,
LaCN2F
, and
Phonon
Resource Type:
Dataset
Data origin:
simulation
Author:
Atsushi Togo
Date Uploaded:
26/05/2023
Ab-initio phonon calculation for PrAl3(BO3)4 / C2/c (15) / materials id 556804
Description/Abstract:
Ab-initio phonon calculation for PrAl3(BO3)4 / C2/c (15) Phonon band structure, phonon DOS, thermal properties at constant volume, and ph...
Keyword:
C2/c (15)
,
Phonon
, and
PrAl3(BO3)4
Resource Type:
Dataset
Data origin:
simulation
Author:
Atsushi Togo
Date Uploaded:
26/05/2023
Ab-initio phonon calculation for Dy2Ge2O7 / P4_12_12 (92) / materials id 772793
Description/Abstract:
Ab-initio phonon calculation for Dy2Ge2O7 / P4_12_12 (92) Phonon band structure, phonon DOS, thermal properties at constant volume, and p...
Keyword:
Dy2Ge2O7
,
P4_12_12 (92)
, and
Phonon
Resource Type:
Dataset
Data origin:
simulation
Author:
Atsushi Togo
Date Uploaded:
26/05/2023
Ab-initio phonon calculation for In2(Se2O5)3 / Pc (7) / materials id 30325
Description/Abstract:
Ab-initio phonon calculation for In2(Se2O5)3 / Pc (7) Phonon band structure, phonon DOS, thermal properties at constant volume, and phono...
Keyword:
In2(Se2O5)3
,
Pc (7)
, and
Phonon
Resource Type:
Dataset
Data origin:
simulation
Author:
Atsushi Togo
Date Uploaded:
26/05/2023
Ab-initio phonon calculation for LuCuS2 / Pnma (62) / materials id 12457
Description/Abstract:
Ab-initio phonon calculation for LuCuS2 / Pnma (62) Phonon band structure, phonon DOS, thermal properties at constant volume, and phonon ...
Keyword:
LuCuS2
,
Phonon
, and
Pnma (62)
Resource Type:
Dataset
Data origin:
simulation
Author:
Atsushi Togo
Date Uploaded:
26/05/2023
Ab-initio phonon calculation for SiO2 / I4/mcm (140) / materials id 554543
Description/Abstract:
Ab-initio phonon calculation for SiO2 / I4/mcm (140) Phonon band structure, phonon DOS, thermal properties at constant volume, and phonon...
Keyword:
I4/mcm (140)
,
Phonon
, and
SiO2
Resource Type:
Dataset
Data origin:
simulation
Author:
Atsushi Togo
Date Uploaded:
26/05/2023
Ab-initio phonon calculation for Rb3B12H12Cl / R-3m (166) / materials id 24798
Description/Abstract:
Ab-initio phonon calculation for Rb3B12H12Cl / R-3m (166) Phonon band structure, phonon DOS, thermal properties at constant volume, and p...
Keyword:
Phonon
,
R-3m (166)
, and
Rb3B12H12Cl
Resource Type:
Dataset
Data origin:
simulation
Author:
Atsushi Togo
Date Uploaded:
26/05/2023
Ab-initio phonon calculation for Na4SnS4 / P-42_1c (114) / materials id 29628
Description/Abstract:
Ab-initio phonon calculation for Na4SnS4 / P-42_1c (114) Phonon band structure, phonon DOS, thermal properties at constant volume, and ph...
Keyword:
Na4SnS4
,
P-42_1c (114)
, and
Phonon
Resource Type:
Dataset
Data origin:
simulation
Author:
Atsushi Togo
Date Uploaded:
26/05/2023
Ab-initio phonon calculation for Zn2BiPO6 / Pnma (62) / materials id 554906
Description/Abstract:
Ab-initio phonon calculation for Zn2BiPO6 / Pnma (62) Phonon band structure, phonon DOS, thermal properties at constant volume, and phono...
Keyword:
Phonon
,
Pnma (62)
, and
Zn2BiPO6
Resource Type:
Dataset
Data origin:
simulation
Author:
Atsushi Togo
Date Uploaded:
26/05/2023
Ab-initio phonon calculation for Ca3C3Cl2 / Cmcm (63) / materials id 28160
Description/Abstract:
Ab-initio phonon calculation for Ca3C3Cl2 / Cmcm (63) Phonon band structure, phonon DOS, thermal properties at constant volume, and phono...
Keyword:
Ca3C3Cl2
,
Cmcm (63)
, and
Phonon
Resource Type:
Dataset
Data origin:
simulation
Author:
Atsushi Togo
Date Uploaded:
26/05/2023
Ab-initio phonon calculation for Hg3(TeBr)2 / I2_13 (199) / materials id 27853
Description/Abstract:
Ab-initio phonon calculation for Hg3(TeBr)2 / I2_13 (199) Phonon band structure, phonon DOS, thermal properties at constant volume, and p...
Keyword:
Hg3(TeBr)2
,
I2_13 (199)
, and
Phonon
Resource Type:
Dataset
Data origin:
simulation
Author:
Atsushi Togo
Date Uploaded:
26/05/2023
Ab-initio phonon calculation for Na2TiGeO5 / P4/nmm (129) / materials id 6228
Description/Abstract:
Ab-initio phonon calculation for Na2TiGeO5 / P4/nmm (129) Phonon band structure, phonon DOS, thermal properties at constant volume, and p...
Keyword:
Na2TiGeO5
,
P4/nmm (129)
, and
Phonon
Resource Type:
Dataset
Data origin:
simulation
Author:
Atsushi Togo
Date Uploaded:
26/05/2023
Ab-initio phonon calculation for Pb3SO6 / Cmcm (63) / materials id 22577
Description/Abstract:
Ab-initio phonon calculation for Pb3SO6 / Cmcm (63) Phonon band structure, phonon DOS, thermal properties at constant volume, and phonon ...
Keyword:
Cmcm (63)
,
Pb3SO6
, and
Phonon
Resource Type:
Dataset
Data origin:
simulation
Author:
Atsushi Togo
Date Uploaded:
26/05/2023
Ab-initio phonon calculation for Ca2Y2Si4H2CO16 / Pnma (62) / materials id 720719
Description/Abstract:
Ab-initio phonon calculation for Ca2Y2Si4H2CO16 / Pnma (62) Phonon band structure, phonon DOS, thermal properties at constant volume, and...
Keyword:
Ca2Y2Si4H2CO16
,
Phonon
, and
Pnma (62)
Resource Type:
Dataset
Data origin:
simulation
Author:
Atsushi Togo
Date Uploaded:
26/05/2023
Ab-initio phonon calculation for Na2Y2B2O7 / P2_1/c (14) / materials id 6331
Description/Abstract:
Ab-initio phonon calculation for Na2Y2B2O7 / P2_1/c (14) Phonon band structure, phonon DOS, thermal properties at constant volume, and ph...
Keyword:
Na2Y2B2O7
,
P2_1/c (14)
, and
Phonon
Resource Type:
Dataset
Data origin:
simulation
Author:
Atsushi Togo
Date Uploaded:
26/05/2023
Ab-initio phonon calculation for Rb3LuO3 / P2_1/c (14) / materials id 772821
Description/Abstract:
Ab-initio phonon calculation for Rb3LuO3 / P2_1/c (14) Phonon band structure, phonon DOS, thermal properties at constant volume, and phon...
Keyword:
P2_1/c (14)
,
Phonon
, and
Rb3LuO3
Resource Type:
Dataset
Data origin:
simulation
Author:
Atsushi Togo
Date Uploaded:
26/05/2023
Ab-initio phonon calculation for Rb2S / Fm-3m (225) / materials id 8041
Description/Abstract:
Ab-initio phonon calculation for Rb2S / Fm-3m (225) Phonon band structure, phonon DOS, thermal properties at constant volume, and phonon ...
Keyword:
Fm-3m (225)
,
Phonon
, and
Rb2S
Resource Type:
Dataset
Data origin:
simulation
Author:
Atsushi Togo
Date Uploaded:
26/05/2023
Ab-initio phonon calculation for PrNb3O9 / P2_1/c (14) / materials id 558373
Description/Abstract:
Ab-initio phonon calculation for PrNb3O9 / P2_1/c (14) Phonon band structure, phonon DOS, thermal properties at constant volume, and phon...
Keyword:
P2_1/c (14)
,
Phonon
, and
PrNb3O9
Resource Type:
Dataset
Data origin:
simulation
Author:
Atsushi Togo
Date Uploaded:
26/05/2023
Ab-initio phonon calculation for DyInO3 / P6_3cm (185) / materials id 768149
Description/Abstract:
Ab-initio phonon calculation for DyInO3 / P6_3cm (185) Phonon band structure, phonon DOS, thermal properties at constant volume, and phon...
Keyword:
DyInO3
,
P6_3cm (185)
, and
Phonon
Resource Type:
Dataset
Data origin:
simulation
Author:
Atsushi Togo
Date Uploaded:
26/05/2023
Ab-initio phonon calculation for Pr3InSe6 / Pnnm (58) / materials id 21575
Description/Abstract:
Ab-initio phonon calculation for Pr3InSe6 / Pnnm (58) Phonon band structure, phonon DOS, thermal properties at constant volume, and phono...
Keyword:
Phonon
,
Pnnm (58)
, and
Pr3InSe6
Resource Type:
Dataset
Data origin:
simulation
Author:
Atsushi Togo
Date Uploaded:
26/05/2023
Ab-initio phonon calculation for KAgSe / P4/nmm (129) / materials id 16236
Description/Abstract:
Ab-initio phonon calculation for KAgSe / P4/nmm (129) Phonon band structure, phonon DOS, thermal properties at constant volume, and phono...
Keyword:
KAgSe
,
P4/nmm (129)
, and
Phonon
Resource Type:
Dataset
Data origin:
simulation
Author:
Atsushi Togo
Date Uploaded:
26/05/2023
Ab-initio phonon calculation for Li3GaGeO5 / Pna2_1 (33) / materials id 17685
Description/Abstract:
Ab-initio phonon calculation for Li3GaGeO5 / Pna2_1 (33) Phonon band structure, phonon DOS, thermal properties at constant volume, and ph...
Keyword:
Li3GaGeO5
,
Phonon
, and
Pna2_1 (33)
Resource Type:
Dataset
Data origin:
simulation
Author:
Atsushi Togo
Date Uploaded:
26/05/2023
Ab-initio phonon calculation for CsCu2ICl2 / P2_1/m (11) / materials id 579536
Description/Abstract:
Ab-initio phonon calculation for CsCu2ICl2 / P2_1/m (11) Phonon band structure, phonon DOS, thermal properties at constant volume, and ph...
Keyword:
CsCu2ICl2
,
P2_1/m (11)
, and
Phonon
Resource Type:
Dataset
Data origin:
simulation
Author:
Atsushi Togo
Date Uploaded:
26/05/2023
Ab-initio phonon calculation for KAs4BrO6 / P6/mmm (191) / materials id 23083
Description/Abstract:
Ab-initio phonon calculation for KAs4BrO6 / P6/mmm (191) Phonon band structure, phonon DOS, thermal properties at constant volume, and ph...
Keyword:
KAs4BrO6
,
P6/mmm (191)
, and
Phonon
Resource Type:
Dataset
Data origin:
simulation
Author:
Atsushi Togo
Date Uploaded:
26/05/2023
Ab-initio phonon calculation for BeF2 / P3_121 (152) / materials id 15951
Description/Abstract:
Ab-initio phonon calculation for BeF2 / P3_121 (152) Phonon band structure, phonon DOS, thermal properties at constant volume, and phonon...
Keyword:
BeF2
,
P3_121 (152)
, and
Phonon
Resource Type:
Dataset
Data origin:
simulation
Author:
Atsushi Togo
Date Uploaded:
26/05/2023
Ab-initio phonon calculation for Y3Sc2Al3O12 / Ia-3d (230) / materials id 14678
Description/Abstract:
Ab-initio phonon calculation for Y3Sc2Al3O12 / Ia-3d (230) Phonon band structure, phonon DOS, thermal properties at constant volume, and ...
Keyword:
Ia-3d (230)
,
Phonon
, and
Y3Sc2Al3O12
Resource Type:
Dataset
Data origin:
simulation
Author:
Atsushi Togo
Date Uploaded:
26/05/2023
Ab-initio phonon calculation for La2Hf2O7 / Fd-3m (227) / materials id 12533
Description/Abstract:
Ab-initio phonon calculation for La2Hf2O7 / Fd-3m (227) Phonon band structure, phonon DOS, thermal properties at constant volume, and pho...
Keyword:
Fd-3m (227)
,
La2Hf2O7
, and
Phonon
Resource Type:
Dataset
Data origin:
simulation
Author:
Atsushi Togo
Date Uploaded:
26/05/2023
Ab-initio phonon calculation for SrH2 / P6_3/mmc (194) / materials id 23759
Description/Abstract:
Ab-initio phonon calculation for SrH2 / P6_3/mmc (194) Phonon band structure, phonon DOS, thermal properties at constant volume, and phon...
Keyword:
P6_3/mmc (194)
,
Phonon
, and
SrH2
Resource Type:
Dataset
Data origin:
simulation
Author:
Atsushi Togo
Date Uploaded:
26/05/2023
Ab-initio phonon calculation for Rb2IN3 / P4/mbm (127) / materials id 29456
Description/Abstract:
Ab-initio phonon calculation for Rb2IN3 / P4/mbm (127) Phonon band structure, phonon DOS, thermal properties at constant volume, and phon...
Keyword:
P4/mbm (127)
,
Phonon
, and
Rb2IN3
Resource Type:
Dataset
Data origin:
simulation
Author:
Atsushi Togo
Date Uploaded:
26/05/2023
Ab-initio phonon calculation for PbF2 / Pnma (62) / materials id 2511
Description/Abstract:
Ab-initio phonon calculation for PbF2 / Pnma (62) Phonon band structure, phonon DOS, thermal properties at constant volume, and phonon ra...
Keyword:
PbF2
,
Phonon
, and
Pnma (62)
Resource Type:
Dataset
Data origin:
simulation
Author:
Atsushi Togo
Date Uploaded:
26/05/2023
Ab-initio phonon calculation for K2NaAlH6 / Fm-3m (225) / materials id 24412
Description/Abstract:
Ab-initio phonon calculation for K2NaAlH6 / Fm-3m (225) Phonon band structure, phonon DOS, thermal properties at constant volume, and pho...
Keyword:
Fm-3m (225)
,
K2NaAlH6
, and
Phonon
Resource Type:
Dataset
Data origin:
simulation
Author:
Atsushi Togo
Date Uploaded:
26/05/2023
Ab-initio phonon calculation for LiI / Fm-3m (225) / materials id 22899
Description/Abstract:
Ab-initio phonon calculation for LiI / Fm-3m (225) Phonon band structure, phonon DOS, thermal properties at constant volume, and phonon r...
Keyword:
Fm-3m (225)
,
LiI
, and
Phonon
Resource Type:
Dataset
Data origin:
simulation
Author:
Atsushi Togo
Date Uploaded:
26/05/2023
Ab-initio phonon calculation for Sr4NbAlO8 / P2_1/c (14) / materials id 558114
Description/Abstract:
Ab-initio phonon calculation for Sr4NbAlO8 / P2_1/c (14) Phonon band structure, phonon DOS, thermal properties at constant volume, and ph...
Keyword:
P2_1/c (14)
,
Phonon
, and
Sr4NbAlO8
Resource Type:
Dataset
Data origin:
simulation
Author:
Atsushi Togo
Date Uploaded:
26/05/2023
Ab-initio phonon calculation for CsXeF7 / P2_13 (198) / materials id 29513
Description/Abstract:
Ab-initio phonon calculation for CsXeF7 / P2_13 (198) Phonon band structure, phonon DOS, thermal properties at constant volume, and phono...
Keyword:
CsXeF7
,
P2_13 (198)
, and
Phonon
Resource Type:
Dataset
Data origin:
simulation
Author:
Atsushi Togo
Date Uploaded:
26/05/2023
Ab-initio phonon calculation for Sr2TiO4 / I4/mmm (139) / materials id 5532
Description/Abstract:
Ab-initio phonon calculation for Sr2TiO4 / I4/mmm (139) Phonon band structure, phonon DOS, thermal properties at constant volume, and pho...
Keyword:
I4/mmm (139)
,
Phonon
, and
Sr2TiO4
Resource Type:
Dataset
Data origin:
simulation
Author:
Atsushi Togo
Date Uploaded:
26/05/2023
Ab-initio phonon calculation for NbCu3S4 / P-43m (215) / materials id 5621
Description/Abstract:
Ab-initio phonon calculation for NbCu3S4 / P-43m (215) Phonon band structure, phonon DOS, thermal properties at constant volume, and phon...
Keyword:
NbCu3S4
,
P-43m (215)
, and
Phonon
Resource Type:
Dataset
Data origin:
simulation
Author:
Atsushi Togo
Date Uploaded:
26/05/2023
Ab-initio phonon calculation for K2LuZr(PO4)3 / P2_13 (198) / materials id 677250
Description/Abstract:
Ab-initio phonon calculation for K2LuZr(PO4)3 / P2_13 (198) Phonon band structure, phonon DOS, thermal properties at constant volume, and...
Keyword:
K2LuZr(PO4)3
,
P2_13 (198)
, and
Phonon
Resource Type:
Dataset
Data origin:
simulation
Author:
Atsushi Togo
Date Uploaded:
26/05/2023
Ab-initio phonon calculation for Ca(ClO3)2 / Fdd2 (43) / materials id 753813
Description/Abstract:
Ab-initio phonon calculation for Ca(ClO3)2 / Fdd2 (43) Phonon band structure, phonon DOS, thermal properties at constant volume, and phon...
Keyword:
Ca(ClO3)2
,
Fdd2 (43)
, and
Phonon
Resource Type:
Dataset
Data origin:
simulation
Author:
Atsushi Togo
Date Uploaded:
26/05/2023
Ab-initio phonon calculation for Cs3Sb2Br9 / P-3m1 (164) / materials id 579560
Description/Abstract:
Ab-initio phonon calculation for Cs3Sb2Br9 / P-3m1 (164) Phonon band structure, phonon DOS, thermal properties at constant volume, and ph...
Keyword:
Cs3Sb2Br9
,
P-3m1 (164)
, and
Phonon
Resource Type:
Dataset
Data origin:
simulation
Author:
Atsushi Togo
Date Uploaded:
26/05/2023
Ab-initio phonon calculation for NaCNO / R3m (160) / materials id 546500
Description/Abstract:
Ab-initio phonon calculation for NaCNO / R3m (160) Phonon band structure, phonon DOS, thermal properties at constant volume, and phonon r...
Keyword:
NaCNO
,
Phonon
, and
R3m (160)
Resource Type:
Dataset
Data origin:
simulation
Author:
Atsushi Togo
Date Uploaded:
26/05/2023
Ab-initio phonon calculation for RbHS / P2_1/m (11) / materials id 696804
Description/Abstract:
Ab-initio phonon calculation for RbHS / P2_1/m (11) Phonon band structure, phonon DOS, thermal properties at constant volume, and phonon ...
Keyword:
P2_1/m (11)
,
Phonon
, and
RbHS
Resource Type:
Dataset
Data origin:
simulation
Author:
Atsushi Togo
Date Uploaded:
26/05/2023
Ab-initio phonon calculation for CsAlO2 / Fd-3m (227) / materials id 14069
Description/Abstract:
Ab-initio phonon calculation for CsAlO2 / Fd-3m (227) Phonon band structure, phonon DOS, thermal properties at constant volume, and phono...
Keyword:
CsAlO2
,
Fd-3m (227)
, and
Phonon
Resource Type:
Dataset
Data origin:
simulation
Author:
Atsushi Togo
Date Uploaded:
26/05/2023
Ab-initio phonon calculation for Mg(ScS2)2 / Fd-3m (227) / materials id 14307
Description/Abstract:
Ab-initio phonon calculation for Mg(ScS2)2 / Fd-3m (227) Phonon band structure, phonon DOS, thermal properties at constant volume, and ph...
Keyword:
Fd-3m (227)
,
Mg(ScS2)2
, and
Phonon
Resource Type:
Dataset
Data origin:
simulation
Author:
Atsushi Togo
Date Uploaded:
26/05/2023
Ab-initio phonon calculation for BiBr / C2/m (12) / materials id 568758
Description/Abstract:
Ab-initio phonon calculation for BiBr / C2/m (12) Phonon band structure, phonon DOS, thermal properties at constant volume, and phonon ra...
Keyword:
BiBr
,
C2/m (12)
, and
Phonon
Resource Type:
Dataset
Data origin:
simulation
Author:
Atsushi Togo
Date Uploaded:
26/05/2023
Ab-initio phonon calculation for NaH3SO5 / Cc (9) / materials id 696347
Description/Abstract:
Ab-initio phonon calculation for NaH3SO5 / Cc (9) Phonon band structure, phonon DOS, thermal properties at constant volume, and phonon ra...
Keyword:
Cc (9)
,
NaH3SO5
, and
Phonon
Resource Type:
Dataset
Data origin:
simulation
Author:
Atsushi Togo
Date Uploaded:
26/05/2023
Ab-initio phonon calculation for SiO2 / I4_1/amd (141) / materials id 553993
Description/Abstract:
Ab-initio phonon calculation for SiO2 / I4_1/amd (141) Phonon band structure, phonon DOS, thermal properties at constant volume, and phon...
Keyword:
I4_1/amd (141)
,
Phonon
, and
SiO2
Resource Type:
Dataset
Data origin:
simulation
Author:
Atsushi Togo
Date Uploaded:
26/05/2023
Ab-initio phonon calculation for Li6PS5I / Cc (9) / materials id 950995
Description/Abstract:
Ab-initio phonon calculation for Li6PS5I / Cc (9) Phonon band structure, phonon DOS, thermal properties at constant volume, and phonon ra...
Keyword:
Cc (9)
,
Li6PS5I
, and
Phonon
Resource Type:
Dataset
Data origin:
simulation
Author:
Atsushi Togo
Date Uploaded:
26/05/2023
Ab-initio phonon calculation for K6Na3GaSb4 / P6_3/mmc (194) / materials id 6112
Description/Abstract:
Ab-initio phonon calculation for K6Na3GaSb4 / P6_3/mmc (194) Phonon band structure, phonon DOS, thermal properties at constant volume, an...
Keyword:
K6Na3GaSb4
,
P6_3/mmc (194)
, and
Phonon
Resource Type:
Dataset
Data origin:
simulation
Author:
Atsushi Togo
Date Uploaded:
26/05/2023
Ab-initio phonon calculation for TlIO3 / R3m (160) / materials id 22981
Description/Abstract:
Ab-initio phonon calculation for TlIO3 / R3m (160) Phonon band structure, phonon DOS, thermal properties at constant volume, and phonon r...
Keyword:
Phonon
,
R3m (160)
, and
TlIO3
Resource Type:
Dataset
Data origin:
simulation
Author:
Atsushi Togo
Date Uploaded:
26/05/2023
Ab-initio phonon calculation for Ba3SiO / Pnma (62) / materials id 755363
Description/Abstract:
Ab-initio phonon calculation for Ba3SiO / Pnma (62) Phonon band structure, phonon DOS, thermal properties at constant volume, and phonon ...
Keyword:
Ba3SiO
,
Phonon
, and
Pnma (62)
Resource Type:
Dataset
Data origin:
simulation
Author:
Atsushi Togo
Date Uploaded:
26/05/2023
Ab-initio phonon calculation for Te6Br2O11 / Cmcm (63) / materials id 29251
Description/Abstract:
Ab-initio phonon calculation for Te6Br2O11 / Cmcm (63) Phonon band structure, phonon DOS, thermal properties at constant volume, and phon...
Keyword:
Cmcm (63)
,
Phonon
, and
Te6Br2O11
Resource Type:
Dataset
Data origin:
simulation
Author:
Atsushi Togo
Date Uploaded:
26/05/2023
Ab-initio phonon calculation for ZnS / P3m1 (156) / materials id 581425
Description/Abstract:
Ab-initio phonon calculation for ZnS / P3m1 (156) Phonon band structure, phonon DOS, thermal properties at constant volume, and phonon ra...
Keyword:
P3m1 (156)
,
Phonon
, and
ZnS
Resource Type:
Dataset
Data origin:
simulation
Author:
Atsushi Togo
Date Uploaded:
26/05/2023
Ab-initio phonon calculation for La2PbSe4 / I-42d (122) / materials id 33406
Description/Abstract:
Ab-initio phonon calculation for La2PbSe4 / I-42d (122) Phonon band structure, phonon DOS, thermal properties at constant volume, and pho...
Keyword:
I-42d (122)
,
La2PbSe4
, and
Phonon
Resource Type:
Dataset
Data origin:
simulation
Author:
Atsushi Togo
Date Uploaded:
26/05/2023
Ab-initio phonon calculation for Li3CuS2 / R-3c (167) / materials id 867700
Description/Abstract:
Ab-initio phonon calculation for Li3CuS2 / R-3c (167) Phonon band structure, phonon DOS, thermal properties at constant volume, and phono...
Keyword:
Li3CuS2
,
Phonon
, and
R-3c (167)
Resource Type:
Dataset
Data origin:
simulation
Author:
Atsushi Togo
Date Uploaded:
26/05/2023
Ab-initio phonon calculation for K3NbSe4 / Pnma (62) / materials id 17283
Description/Abstract:
Ab-initio phonon calculation for K3NbSe4 / Pnma (62) Phonon band structure, phonon DOS, thermal properties at constant volume, and phonon...
Keyword:
K3NbSe4
,
Phonon
, and
Pnma (62)
Resource Type:
Dataset
Data origin:
simulation
Author:
Atsushi Togo
Date Uploaded:
26/05/2023
Ab-initio phonon calculation for Tb2CaS4 / I-42d (122) / materials id 38327
Description/Abstract:
Ab-initio phonon calculation for Tb2CaS4 / I-42d (122) Phonon band structure, phonon DOS, thermal properties at constant volume, and phon...
Keyword:
I-42d (122)
,
Phonon
, and
Tb2CaS4
Resource Type:
Dataset
Data origin:
simulation
Author:
Atsushi Togo
Date Uploaded:
26/05/2023
Ab-initio phonon calculation for Ba3GeO5 / R3m (160) / materials id 770959
Description/Abstract:
Ab-initio phonon calculation for Ba3GeO5 / R3m (160) Phonon band structure, phonon DOS, thermal properties at constant volume, and phonon...
Keyword:
Ba3GeO5
,
Phonon
, and
R3m (160)
Resource Type:
Dataset
Data origin:
simulation
Author:
Atsushi Togo
Date Uploaded:
26/05/2023
Ab-initio phonon calculation for Ho(IO3)3 / P2_1/c (14) / materials id 683980
Description/Abstract:
Ab-initio phonon calculation for Ho(IO3)3 / P2_1/c (14) Phonon band structure, phonon DOS, thermal properties at constant volume, and pho...
Keyword:
Ho(IO3)3
,
P2_1/c (14)
, and
Phonon
Resource Type:
Dataset
Data origin:
simulation
Author:
Atsushi Togo
Date Uploaded:
26/05/2023
Ab-initio phonon calculation for Ba2PdF6 / Cmce (64) / materials id 29794
Description/Abstract:
Ab-initio phonon calculation for Ba2PdF6 / Cmce (64) Phonon band structure, phonon DOS, thermal properties at constant volume, and phonon...
Keyword:
Ba2PdF6
,
Cmce (64)
, and
Phonon
Resource Type:
Dataset
Data origin:
simulation
Author:
Atsushi Togo
Date Uploaded:
26/05/2023
Ab-initio phonon calculation for K2NaYF6 / Fm-3m (225) / materials id 13799
Description/Abstract:
Ab-initio phonon calculation for K2NaYF6 / Fm-3m (225) Phonon band structure, phonon DOS, thermal properties at constant volume, and phon...
Keyword:
Fm-3m (225)
,
K2NaYF6
, and
Phonon
Resource Type:
Dataset
Data origin:
simulation
Author:
Atsushi Togo
Date Uploaded:
26/05/2023
Ab-initio phonon calculation for ReNCl4 / I4 (79) / materials id 568100
Description/Abstract:
Ab-initio phonon calculation for ReNCl4 / I4 (79) Phonon band structure, phonon DOS, thermal properties at constant volume, and phonon ra...
Keyword:
I4 (79)
,
Phonon
, and
ReNCl4
Resource Type:
Dataset
Data origin:
simulation
Author:
Atsushi Togo
Date Uploaded:
26/05/2023
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10,034
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MDR phonon calculation database
10,034
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Creative Commons BY Attribution 4.0 International
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10,034
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