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Ab-initio phonon calculation for KPr3Te8 / P2_1/c (14) / materials id 567710
Description/Abstract:
Ab-initio phonon calculation for KPr3Te8 / P2_1/c (14) Phonon band structure, phonon DOS, thermal properties at constant volume, and phon...
Keyword:
KPr3Te8
,
P2_1/c (14)
, and
Phonon
Resource Type:
Dataset
Data origin:
simulation
Author:
Atsushi Togo
Date Uploaded:
27/05/2023
Ab-initio phonon calculation for LaMg(BO2)5 / P2_1/c (14) / materials id 557758
Description/Abstract:
Ab-initio phonon calculation for LaMg(BO2)5 / P2_1/c (14) Phonon band structure, phonon DOS, thermal properties at constant volume, and p...
Keyword:
LaMg(BO2)5
,
P2_1/c (14)
, and
Phonon
Resource Type:
Dataset
Data origin:
simulation
Author:
Atsushi Togo
Date Uploaded:
27/05/2023
Ab-initio phonon calculation for LiPr(SO4)2 / P2_1/c (14) / materials id 559719
Description/Abstract:
Ab-initio phonon calculation for LiPr(SO4)2 / P2_1/c (14) Phonon band structure, phonon DOS, thermal properties at constant volume, and p...
Keyword:
LiPr(SO4)2
,
P2_1/c (14)
, and
Phonon
Resource Type:
Dataset
Data origin:
simulation
Author:
Atsushi Togo
Date Uploaded:
27/05/2023
Ab-initio phonon calculation for TbZn(BO2)5 / P2_1/c (14) / materials id 15520
Description/Abstract:
Ab-initio phonon calculation for TbZn(BO2)5 / P2_1/c (14) Phonon band structure, phonon DOS, thermal properties at constant volume, and p...
Keyword:
P2_1/c (14)
,
Phonon
, and
TbZn(BO2)5
Resource Type:
Dataset
Data origin:
simulation
Author:
Atsushi Togo
Date Uploaded:
27/05/2023
Ab-initio phonon calculation for TiAs2O7 / P2_1/c (14) / materials id 17196
Description/Abstract:
Ab-initio phonon calculation for TiAs2O7 / P2_1/c (14) Phonon band structure, phonon DOS, thermal properties at constant volume, and phon...
Keyword:
P2_1/c (14)
,
Phonon
, and
TiAs2O7
Resource Type:
Dataset
Data origin:
simulation
Author:
Atsushi Togo
Date Uploaded:
27/05/2023
Ab-initio phonon calculation for Bi9AuBr9 / P2_1/c (14) / materials id 684015
Description/Abstract:
Ab-initio phonon calculation for Bi9AuBr9 / P2_1/c (14) Phonon band structure, phonon DOS, thermal properties at constant volume, and pho...
Keyword:
Bi9AuBr9
,
P2_1/c (14)
, and
Phonon
Resource Type:
Dataset
Data origin:
simulation
Author:
Atsushi Togo
Date Uploaded:
27/05/2023
Ab-initio phonon calculation for PrPtF7 / P2_1/c (14) / materials id 17446
Description/Abstract:
Ab-initio phonon calculation for PrPtF7 / P2_1/c (14) Phonon band structure, phonon DOS, thermal properties at constant volume, and phono...
Keyword:
P2_1/c (14)
,
Phonon
, and
PrPtF7
Resource Type:
Dataset
Data origin:
simulation
Author:
Atsushi Togo
Date Uploaded:
27/05/2023
Ab-initio phonon calculation for Na2Si2O5 / P2_1/c (14) / materials id 556423
Description/Abstract:
Ab-initio phonon calculation for Na2Si2O5 / P2_1/c (14) Phonon band structure, phonon DOS, thermal properties at constant volume, and pho...
Keyword:
Na2Si2O5
,
P2_1/c (14)
, and
Phonon
Resource Type:
Dataset
Data origin:
simulation
Author:
Atsushi Togo
Date Uploaded:
27/05/2023
Ab-initio phonon calculation for Cd3(AsO4)2 / P2_1/c (14) / materials id 13602
Description/Abstract:
Ab-initio phonon calculation for Cd3(AsO4)2 / P2_1/c (14) Phonon band structure, phonon DOS, thermal properties at constant volume, and p...
Keyword:
Cd3(AsO4)2
,
P2_1/c (14)
, and
Phonon
Resource Type:
Dataset
Data origin:
simulation
Author:
Atsushi Togo
Date Uploaded:
27/05/2023
Ab-initio phonon calculation for HoPtF7 / P2_1/c (14) / materials id 17651
Description/Abstract:
Ab-initio phonon calculation for HoPtF7 / P2_1/c (14) Phonon band structure, phonon DOS, thermal properties at constant volume, and phono...
Keyword:
HoPtF7
,
P2_1/c (14)
, and
Phonon
Resource Type:
Dataset
Data origin:
simulation
Author:
Atsushi Togo
Date Uploaded:
27/05/2023
Ab-initio phonon calculation for Na2Si2O5 / P2_1/c (14) / materials id 3193
Description/Abstract:
Ab-initio phonon calculation for Na2Si2O5 / P2_1/c (14) Phonon band structure, phonon DOS, thermal properties at constant volume, and pho...
Keyword:
Na2Si2O5
,
P2_1/c (14)
, and
Phonon
Resource Type:
Dataset
Data origin:
simulation
Author:
Atsushi Togo
Date Uploaded:
27/05/2023
Ab-initio phonon calculation for Cs3TlO3 / P2_1/c (14) / materials id 756122
Description/Abstract:
Ab-initio phonon calculation for Cs3TlO3 / P2_1/c (14) Phonon band structure, phonon DOS, thermal properties at constant volume, and phon...
Keyword:
Cs3TlO3
,
P2_1/c (14)
, and
Phonon
Resource Type:
Dataset
Data origin:
simulation
Author:
Atsushi Togo
Date Uploaded:
27/05/2023
Ab-initio phonon calculation for KLa5(CCl5)2 / P2_1/c (14) / materials id 571240
Description/Abstract:
Ab-initio phonon calculation for KLa5(CCl5)2 / P2_1/c (14) Phonon band structure, phonon DOS, thermal properties at constant volume, and ...
Keyword:
KLa5(CCl5)2
,
P2_1/c (14)
, and
Phonon
Resource Type:
Dataset
Data origin:
simulation
Author:
Atsushi Togo
Date Uploaded:
27/05/2023
Ab-initio phonon calculation for NaLiSiB3HO8 / P2_1/c (14) / materials id 558267
Description/Abstract:
Ab-initio phonon calculation for NaLiSiB3HO8 / P2_1/c (14) Phonon band structure, phonon DOS, thermal properties at constant volume, and ...
Keyword:
NaLiSiB3HO8
,
P2_1/c (14)
, and
Phonon
Resource Type:
Dataset
Data origin:
simulation
Author:
Atsushi Togo
Date Uploaded:
27/05/2023
Ab-initio phonon calculation for SbAsO3 / P2_1/c (14) / materials id 28109
Description/Abstract:
Ab-initio phonon calculation for SbAsO3 / P2_1/c (14) Phonon band structure, phonon DOS, thermal properties at constant volume, and phono...
Keyword:
P2_1/c (14)
,
Phonon
, and
SbAsO3
Resource Type:
Dataset
Data origin:
simulation
Author:
Atsushi Togo
Date Uploaded:
27/05/2023
Ab-initio phonon calculation for Cd2PCl2 / P2_1/c (14) / materials id 31276
Description/Abstract:
Ab-initio phonon calculation for Cd2PCl2 / P2_1/c (14) Phonon band structure, phonon DOS, thermal properties at constant volume, and phon...
Keyword:
Cd2PCl2
,
P2_1/c (14)
, and
Phonon
Resource Type:
Dataset
Data origin:
simulation
Author:
Atsushi Togo
Date Uploaded:
27/05/2023
Ab-initio phonon calculation for ZnP2 / P2_1/c (14) / materials id 1392
Description/Abstract:
Ab-initio phonon calculation for ZnP2 / P2_1/c (14) Phonon band structure, phonon DOS, thermal properties at constant volume, and phonon ...
Keyword:
P2_1/c (14)
,
Phonon
, and
ZnP2
Resource Type:
Dataset
Data origin:
simulation
Author:
Atsushi Togo
Date Uploaded:
27/05/2023
Ab-initio phonon calculation for Nb2Tl3CuSe12 / P2_1/c (14) / materials id 570757
Description/Abstract:
Ab-initio phonon calculation for Nb2Tl3CuSe12 / P2_1/c (14) Phonon band structure, phonon DOS, thermal properties at constant volume, and...
Keyword:
Nb2Tl3CuSe12
,
P2_1/c (14)
, and
Phonon
Resource Type:
Dataset
Data origin:
simulation
Author:
Atsushi Togo
Date Uploaded:
27/05/2023
Ab-initio phonon calculation for LiSb3O8 / P2_1/c (14) / materials id 29892
Description/Abstract:
Ab-initio phonon calculation for LiSb3O8 / P2_1/c (14) Phonon band structure, phonon DOS, thermal properties at constant volume, and phon...
Keyword:
LiSb3O8
,
P2_1/c (14)
, and
Phonon
Resource Type:
Dataset
Data origin:
simulation
Author:
Atsushi Togo
Date Uploaded:
27/05/2023
Ab-initio phonon calculation for ScOF / P2_1/c (14) / materials id 4662
Description/Abstract:
Ab-initio phonon calculation for ScOF / P2_1/c (14) Phonon band structure, phonon DOS, thermal properties at constant volume, and phonon ...
Keyword:
P2_1/c (14)
,
Phonon
, and
ScOF
Resource Type:
Dataset
Data origin:
simulation
Author:
Atsushi Togo
Date Uploaded:
27/05/2023
Ab-initio phonon calculation for PbSe2O5 / P2_1/c (14) / materials id 662535
Description/Abstract:
Ab-initio phonon calculation for PbSe2O5 / P2_1/c (14) Phonon band structure, phonon DOS, thermal properties at constant volume, and phon...
Keyword:
P2_1/c (14)
,
PbSe2O5
, and
Phonon
Resource Type:
Dataset
Data origin:
simulation
Author:
Atsushi Togo
Date Uploaded:
26/05/2023
Ab-initio phonon calculation for SrAlF5 / P2_1/c (14) / materials id 16557
Description/Abstract:
Ab-initio phonon calculation for SrAlF5 / P2_1/c (14) Phonon band structure, phonon DOS, thermal properties at constant volume, and phono...
Keyword:
P2_1/c (14)
,
Phonon
, and
SrAlF5
Resource Type:
Dataset
Data origin:
simulation
Author:
Atsushi Togo
Date Uploaded:
26/05/2023
Ab-initio phonon calculation for Na2SnSe3 / P2_1/c (14) / materials id 568543
Description/Abstract:
Ab-initio phonon calculation for Na2SnSe3 / P2_1/c (14) Phonon band structure, phonon DOS, thermal properties at constant volume, and pho...
Keyword:
Na2SnSe3
,
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 Sm2Se2O / P2_1/c (14) / materials id 755362
Description/Abstract:
Ab-initio phonon calculation for Sm2Se2O / P2_1/c (14) Phonon band structure, phonon DOS, thermal properties at constant volume, and phon...
Keyword:
P2_1/c (14)
,
Phonon
, and
Sm2Se2O
Resource Type:
Dataset
Data origin:
simulation
Author:
Atsushi Togo
Date Uploaded:
26/05/2023
Ab-initio phonon calculation for Rb2NaAl2(PO4)3 / P2_1/c (14) / materials id 559610
Description/Abstract:
Ab-initio phonon calculation for Rb2NaAl2(PO4)3 / P2_1/c (14) Phonon band structure, phonon DOS, thermal properties at constant volume, a...
Keyword:
P2_1/c (14)
,
Phonon
, and
Rb2NaAl2(PO4)3
Resource Type:
Dataset
Data origin:
simulation
Author:
Atsushi Togo
Date Uploaded:
26/05/2023
Ab-initio phonon calculation for RbLiSO4 / P2_1/c (14) / materials id 6211
Description/Abstract:
Ab-initio phonon calculation for RbLiSO4 / P2_1/c (14) Phonon band structure, phonon DOS, thermal properties at constant volume, and phon...
Keyword:
P2_1/c (14)
,
Phonon
, and
RbLiSO4
Resource Type:
Dataset
Data origin:
simulation
Author:
Atsushi Togo
Date Uploaded:
26/05/2023
Ab-initio phonon calculation for Li3BO3 / P2_1/c (14) / materials id 27275
Description/Abstract:
Ab-initio phonon calculation for Li3BO3 / P2_1/c (14) Phonon band structure, phonon DOS, thermal properties at constant volume, and phono...
Keyword:
Li3BO3
,
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 GePbS3 / P2_1/c (14) / materials id 624190
Description/Abstract:
Ab-initio phonon calculation for GePbS3 / P2_1/c (14) Phonon band structure, phonon DOS, thermal properties at constant volume, and phono...
Keyword:
GePbS3
,
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 Ca5Si2C2O13 / P2_1/c (14) / materials id 6753
Description/Abstract:
Ab-initio phonon calculation for Ca5Si2C2O13 / P2_1/c (14) Phonon band structure, phonon DOS, thermal properties at constant volume, and ...
Keyword:
Ca5Si2C2O13
,
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 Cu3SbS3 / P2_1/c (14) / materials id 554272
Description/Abstract:
Ab-initio phonon calculation for Cu3SbS3 / P2_1/c (14) Phonon band structure, phonon DOS, thermal properties at constant volume, and phon...
Keyword:
Cu3SbS3
,
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 MgH8(IO5)2 / P2_1/c (14) / materials id 24566
Description/Abstract:
Ab-initio phonon calculation for MgH8(IO5)2 / P2_1/c (14) Phonon band structure, phonon DOS, thermal properties at constant volume, and p...
Keyword:
MgH8(IO5)2
,
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 K2SnP2O7 / P2_1/c (14) / materials id 554825
Description/Abstract:
Ab-initio phonon calculation for K2SnP2O7 / P2_1/c (14) Phonon band structure, phonon DOS, thermal properties at constant volume, and pho...
Keyword:
K2SnP2O7
,
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 GeBr2 / P2_1/c (14) / materials id 541610
Description/Abstract:
Ab-initio phonon calculation for GeBr2 / P2_1/c (14) Phonon band structure, phonon DOS, thermal properties at constant volume, and phonon...
Keyword:
GeBr2
,
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 Ca3(GeP2)2 / P2_1/c (14) / materials id 17817
Description/Abstract:
Ab-initio phonon calculation for Ca3(GeP2)2 / P2_1/c (14) Phonon band structure, phonon DOS, thermal properties at constant volume, and p...
Keyword:
Ca3(GeP2)2
,
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 NaCaAlF6 / P2_1/c (14) / materials id 558169
Description/Abstract:
Ab-initio phonon calculation for NaCaAlF6 / P2_1/c (14) Phonon band structure, phonon DOS, thermal properties at constant volume, and pho...
Keyword:
NaCaAlF6
,
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 Na2GeSe3 / P2_1/c (14) / materials id 28278
Description/Abstract:
Ab-initio phonon calculation for Na2GeSe3 / P2_1/c (14) Phonon band structure, phonon DOS, thermal properties at constant volume, and pho...
Keyword:
Na2GeSe3
,
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 As2Pb3O8 / P2_1/c (14) / materials id 505368
Description/Abstract:
Ab-initio phonon calculation for As2Pb3O8 / P2_1/c (14) Phonon band structure, phonon DOS, thermal properties at constant volume, and pho...
Keyword:
As2Pb3O8
,
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 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 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 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 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 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 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 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 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 KICl2 / P2_1/c (14) / materials id 628908
Description/Abstract:
Ab-initio phonon calculation for KICl2 / P2_1/c (14) Phonon band structure, phonon DOS, thermal properties at constant volume, and phonon...
Keyword:
KICl2
,
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 Tb(IO3)3 / P2_1/c (14) / materials id 554821
Description/Abstract:
Ab-initio phonon calculation for Tb(IO3)3 / P2_1/c (14) Phonon band structure, phonon DOS, thermal properties at constant volume, and pho...
Keyword:
P2_1/c (14)
,
Phonon
, and
Tb(IO3)3
Resource Type:
Dataset
Data origin:
simulation
Author:
Atsushi Togo
Date Uploaded:
26/05/2023
Ab-initio phonon calculation for La2SiO5 / P2_1/c (14) / materials id 5152
Description/Abstract:
Ab-initio phonon calculation for La2SiO5 / P2_1/c (14) Phonon band structure, phonon DOS, thermal properties at constant volume, and phon...
Keyword:
La2SiO5
,
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 FeSbS / P2_1/c (14) / materials id 27904
Description/Abstract:
Ab-initio phonon calculation for FeSbS / P2_1/c (14) Phonon band structure, phonon DOS, thermal properties at constant volume, and phonon...
Keyword:
FeSbS
,
P2_1/c (14)
, and
Phonon
Resource Type:
Dataset
Data origin:
simulation
Author:
Atsushi Togo
Date Uploaded:
26/05/2023
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Type of work
Dataset
1,072
Collection
MDR phonon calculation database
1,072
Keyword
P2_1/c (14)
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1,072
Phonon
1,072
Al(HO)3
4
Ba(HO)2
4
Ba2CaI6
4
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Publisher
NIMS
1,072
Resource type
Dataset
1,072
Visibility
open
1,072
Rights Statement Sim
Creative Commons BY Attribution 4.0 International
1,072
Data origin
simulation
1,072
Author
Atsushi Togo
1,072
Funder
MEXT
1,072
Software
VASP
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1,072
phonopy
1,072
spglib
1,072