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Ab-initio phonon calculation for Sr(HO)2 / Pnma (62) / materials id 27425
Description/Abstract:
Ab-initio phonon calculation for Sr(HO)2 / Pnma (62) Phonon band structure, phonon DOS, thermal properties at constant volume, and phonon...
Keyword:
Phonon
,
Pnma (62)
, and
Sr(HO)2
Resource Type:
Dataset
Data origin:
simulation
Author:
Atsushi Togo
Date Uploaded:
27/05/2023
Ab-initio phonon calculation for SrSO4 / Pnma (62) / materials id 5285
Description/Abstract:
Ab-initio phonon calculation for SrSO4 / Pnma (62) Phonon band structure, phonon DOS, thermal properties at constant volume, and phonon r...
Keyword:
Phonon
,
Pnma (62)
, and
SrSO4
Resource Type:
Dataset
Data origin:
simulation
Author:
Atsushi Togo
Date Uploaded:
27/05/2023
Ab-initio phonon calculation for HPbBrO / Pnma (62) / materials id 643727
Description/Abstract:
Ab-initio phonon calculation for HPbBrO / Pnma (62) Phonon band structure, phonon DOS, thermal properties at constant volume, and phonon ...
Keyword:
HPbBrO
,
Phonon
, and
Pnma (62)
Resource Type:
Dataset
Data origin:
simulation
Author:
Atsushi Togo
Date Uploaded:
27/05/2023
Ab-initio phonon calculation for RbCdBr3 / Pnma (62) / materials id 27400
Description/Abstract:
Ab-initio phonon calculation for RbCdBr3 / Pnma (62) Phonon band structure, phonon DOS, thermal properties at constant volume, and phonon...
Keyword:
Phonon
,
Pnma (62)
, and
RbCdBr3
Resource Type:
Dataset
Data origin:
simulation
Author:
Atsushi Togo
Date Uploaded:
27/05/2023
Ab-initio phonon calculation for H2C / Pnma (62) / materials id 985782
Description/Abstract:
Ab-initio phonon calculation for H2C / Pnma (62) Phonon band structure, phonon DOS, thermal properties at constant volume, and phonon raw...
Keyword:
H2C
,
Phonon
, and
Pnma (62)
Resource Type:
Dataset
Data origin:
simulation
Author:
Atsushi Togo
Date Uploaded:
27/05/2023
Ab-initio phonon calculation for BiOF / Pnma (62) / materials id 753360
Description/Abstract:
Ab-initio phonon calculation for BiOF / Pnma (62) Phonon band structure, phonon DOS, thermal properties at constant volume, and phonon ra...
Keyword:
BiOF
,
Phonon
, and
Pnma (62)
Resource Type:
Dataset
Data origin:
simulation
Author:
Atsushi Togo
Date Uploaded:
27/05/2023
Ab-initio phonon calculation for LaYO3 / Pnma (62) / materials id 10429
Description/Abstract:
Ab-initio phonon calculation for LaYO3 / Pnma (62) Phonon band structure, phonon DOS, thermal properties at constant volume, and phonon r...
Keyword:
LaYO3
,
Phonon
, and
Pnma (62)
Resource Type:
Dataset
Data origin:
simulation
Author:
Atsushi Togo
Date Uploaded:
27/05/2023
Ab-initio phonon calculation for CaSc2O4 / Pnma (62) / materials id 4056
Description/Abstract:
Ab-initio phonon calculation for CaSc2O4 / Pnma (62) Phonon band structure, phonon DOS, thermal properties at constant volume, and phonon...
Keyword:
CaSc2O4
,
Phonon
, and
Pnma (62)
Resource Type:
Dataset
Data origin:
simulation
Author:
Atsushi Togo
Date Uploaded:
27/05/2023
Ab-initio phonon calculation for DyHO2 / Pnma (62) / materials id 755659
Description/Abstract:
Ab-initio phonon calculation for DyHO2 / Pnma (62) Phonon band structure, phonon DOS, thermal properties at constant volume, and phonon r...
Keyword:
DyHO2
,
Phonon
, and
Pnma (62)
Resource Type:
Dataset
Data origin:
simulation
Author:
Atsushi Togo
Date Uploaded:
27/05/2023
Ab-initio phonon calculation for HgO / Pnma (62) / materials id 1224
Description/Abstract:
Ab-initio phonon calculation for HgO / Pnma (62) Phonon band structure, phonon DOS, thermal properties at constant volume, and phonon raw...
Keyword:
HgO
,
Phonon
, and
Pnma (62)
Resource Type:
Dataset
Data origin:
simulation
Author:
Atsushi Togo
Date Uploaded:
27/05/2023
Ab-initio phonon calculation for Cs2AgI3 / Pnma (62) / materials id 540881
Description/Abstract:
Ab-initio phonon calculation for Cs2AgI3 / Pnma (62) Phonon band structure, phonon DOS, thermal properties at constant volume, and phonon...
Keyword:
Cs2AgI3
,
Phonon
, and
Pnma (62)
Resource Type:
Dataset
Data origin:
simulation
Author:
Atsushi Togo
Date Uploaded:
27/05/2023
Ab-initio phonon calculation for CdSnO3 / Pnma (62) / materials id 849371
Description/Abstract:
Ab-initio phonon calculation for CdSnO3 / Pnma (62) Phonon band structure, phonon DOS, thermal properties at constant volume, and phonon ...
Keyword:
CdSnO3
,
Phonon
, and
Pnma (62)
Resource Type:
Dataset
Data origin:
simulation
Author:
Atsushi Togo
Date Uploaded:
27/05/2023
Ab-initio phonon calculation for SrCaSi / Pnma (62) / materials id 7084
Description/Abstract:
Ab-initio phonon calculation for SrCaSi / Pnma (62) Phonon band structure, phonon DOS, thermal properties at constant volume, and phonon ...
Keyword:
Phonon
,
Pnma (62)
, and
SrCaSi
Resource Type:
Dataset
Data origin:
simulation
Author:
Atsushi Togo
Date Uploaded:
27/05/2023
Ab-initio phonon calculation for K2Cd3S4 / Pnma (62) / materials id 18101
Description/Abstract:
Ab-initio phonon calculation for K2Cd3S4 / Pnma (62) Phonon band structure, phonon DOS, thermal properties at constant volume, and phonon...
Keyword:
K2Cd3S4
,
Phonon
, and
Pnma (62)
Resource Type:
Dataset
Data origin:
simulation
Author:
Atsushi Togo
Date Uploaded:
27/05/2023
Ab-initio phonon calculation for LiSiBiO4 / Pnma (62) / materials id 752501
Description/Abstract:
Ab-initio phonon calculation for LiSiBiO4 / Pnma (62) Phonon band structure, phonon DOS, thermal properties at constant volume, and phono...
Keyword:
LiSiBiO4
,
Phonon
, and
Pnma (62)
Resource Type:
Dataset
Data origin:
simulation
Author:
Atsushi Togo
Date Uploaded:
27/05/2023
Ab-initio phonon calculation for HfSnS3 / Pnma (62) / materials id 8725
Description/Abstract:
Ab-initio phonon calculation for HfSnS3 / Pnma (62) Phonon band structure, phonon DOS, thermal properties at constant volume, and phonon ...
Keyword:
HfSnS3
,
Phonon
, and
Pnma (62)
Resource Type:
Dataset
Data origin:
simulation
Author:
Atsushi Togo
Date Uploaded:
26/05/2023
Ab-initio phonon calculation for As2PbS4 / Pnma (62) / materials id 19941
Description/Abstract:
Ab-initio phonon calculation for As2PbS4 / Pnma (62) Phonon band structure, phonon DOS, thermal properties at constant volume, and phonon...
Keyword:
As2PbS4
,
Phonon
, and
Pnma (62)
Resource Type:
Dataset
Data origin:
simulation
Author:
Atsushi Togo
Date Uploaded:
26/05/2023
Ab-initio phonon calculation for Li2UO4 / Pnma (62) / materials id 9607
Description/Abstract:
Ab-initio phonon calculation for Li2UO4 / Pnma (62) Phonon band structure, phonon DOS, thermal properties at constant volume, and phonon ...
Keyword:
Li2UO4
,
Phonon
, and
Pnma (62)
Resource Type:
Dataset
Data origin:
simulation
Author:
Atsushi Togo
Date Uploaded:
26/05/2023
Ab-initio phonon calculation for PrIn2Cl5 / Pnma (62) / materials id 650026
Description/Abstract:
Ab-initio phonon calculation for PrIn2Cl5 / Pnma (62) Phonon band structure, phonon DOS, thermal properties at constant volume, and phono...
Keyword:
Phonon
,
Pnma (62)
, and
PrIn2Cl5
Resource Type:
Dataset
Data origin:
simulation
Author:
Atsushi Togo
Date Uploaded:
26/05/2023
Ab-initio phonon calculation for Ca3AsN / Pnma (62) / materials id 4192
Description/Abstract:
Ab-initio phonon calculation for Ca3AsN / Pnma (62) Phonon band structure, phonon DOS, thermal properties at constant volume, and phonon ...
Keyword:
Ca3AsN
,
Phonon
, and
Pnma (62)
Resource Type:
Dataset
Data origin:
simulation
Author:
Atsushi Togo
Date Uploaded:
26/05/2023
Ab-initio phonon calculation for BaSO4 / Pnma (62) / materials id 3164
Description/Abstract:
Ab-initio phonon calculation for BaSO4 / Pnma (62) Phonon band structure, phonon DOS, thermal properties at constant volume, and phonon r...
Keyword:
BaSO4
,
Phonon
, and
Pnma (62)
Resource Type:
Dataset
Data origin:
simulation
Author:
Atsushi Togo
Date Uploaded:
26/05/2023
Ab-initio phonon calculation for Ba(CuSe)2 / Pnma (62) / materials id 4473
Description/Abstract:
Ab-initio phonon calculation for Ba(CuSe)2 / Pnma (62) Phonon band structure, phonon DOS, thermal properties at constant volume, and phon...
Keyword:
Ba(CuSe)2
,
Phonon
, and
Pnma (62)
Resource Type:
Dataset
Data origin:
simulation
Author:
Atsushi Togo
Date Uploaded:
26/05/2023
Ab-initio phonon calculation for ZrO2 / Pnma (62) / materials id 755759
Description/Abstract:
Ab-initio phonon calculation for ZrO2 / Pnma (62) Phonon band structure, phonon DOS, thermal properties at constant volume, and phonon ra...
Keyword:
Phonon
,
Pnma (62)
, and
ZrO2
Resource Type:
Dataset
Data origin:
simulation
Author:
Atsushi Togo
Date Uploaded:
26/05/2023
Ab-initio phonon calculation for Ba(CuS)2 / Pnma (62) / materials id 5970
Description/Abstract:
Ab-initio phonon calculation for Ba(CuS)2 / Pnma (62) Phonon band structure, phonon DOS, thermal properties at constant volume, and phono...
Keyword:
Ba(CuS)2
,
Phonon
, and
Pnma (62)
Resource Type:
Dataset
Data origin:
simulation
Author:
Atsushi Togo
Date Uploaded:
26/05/2023
Ab-initio phonon calculation for KBaNbS4 / Pnma (62) / materials id 16780
Description/Abstract:
Ab-initio phonon calculation for KBaNbS4 / Pnma (62) Phonon band structure, phonon DOS, thermal properties at constant volume, and phonon...
Keyword:
KBaNbS4
,
Phonon
, and
Pnma (62)
Resource Type:
Dataset
Data origin:
simulation
Author:
Atsushi Togo
Date Uploaded:
26/05/2023
Ab-initio phonon calculation for Rb3PO4 / Pnma (62) / materials id 558170
Description/Abstract:
Ab-initio phonon calculation for Rb3PO4 / Pnma (62) Phonon band structure, phonon DOS, thermal properties at constant volume, and phonon ...
Keyword:
Phonon
,
Pnma (62)
, and
Rb3PO4
Resource Type:
Dataset
Data origin:
simulation
Author:
Atsushi Togo
Date Uploaded:
26/05/2023
Ab-initio phonon calculation for Mg(AlS2)2 / Pnma (62) / materials id 3872
Description/Abstract:
Ab-initio phonon calculation for Mg(AlS2)2 / Pnma (62) Phonon band structure, phonon DOS, thermal properties at constant volume, and phon...
Keyword:
Mg(AlS2)2
,
Phonon
, and
Pnma (62)
Resource Type:
Dataset
Data origin:
simulation
Author:
Atsushi Togo
Date Uploaded:
26/05/2023
Ab-initio phonon calculation for Ba7Sn3Se13 / Pnma (62) / materials id 569754
Description/Abstract:
Ab-initio phonon calculation for Ba7Sn3Se13 / Pnma (62) Phonon band structure, phonon DOS, thermal properties at constant volume, and pho...
Keyword:
Ba7Sn3Se13
,
Phonon
, and
Pnma (62)
Resource Type:
Dataset
Data origin:
simulation
Author:
Atsushi Togo
Date Uploaded:
26/05/2023
Ab-initio phonon calculation for Ca2Al3Si3HO13 / Pnma (62) / materials id 23915
Description/Abstract:
Ab-initio phonon calculation for Ca2Al3Si3HO13 / Pnma (62) Phonon band structure, phonon DOS, thermal properties at constant volume, and ...
Keyword:
Ca2Al3Si3HO13
,
Phonon
, and
Pnma (62)
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 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 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 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 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 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 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 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 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 TbCuPbSe3 / Pnma (62) / materials id 601286
Description/Abstract:
Ab-initio phonon calculation for TbCuPbSe3 / Pnma (62) Phonon band structure, phonon DOS, thermal properties at constant volume, and phon...
Keyword:
Phonon
,
Pnma (62)
, and
TbCuPbSe3
Resource Type:
Dataset
Data origin:
simulation
Author:
Atsushi Togo
Date Uploaded:
26/05/2023
Ab-initio phonon calculation for BaSc3AgS6 / Pnma (62) / materials id 554796
Description/Abstract:
Ab-initio phonon calculation for BaSc3AgS6 / Pnma (62) Phonon band structure, phonon DOS, thermal properties at constant volume, and phon...
Keyword:
BaSc3AgS6
,
Phonon
, and
Pnma (62)
Resource Type:
Dataset
Data origin:
simulation
Author:
Atsushi Togo
Date Uploaded:
26/05/2023
Ab-initio phonon calculation for MgSeO4 / Pnma (62) / materials id 560670
Description/Abstract:
Ab-initio phonon calculation for MgSeO4 / Pnma (62) Phonon band structure, phonon DOS, thermal properties at constant volume, and phonon ...
Keyword:
MgSeO4
,
Phonon
, and
Pnma (62)
Resource Type:
Dataset
Data origin:
simulation
Author:
Atsushi Togo
Date Uploaded:
26/05/2023
Ab-initio phonon calculation for CaMgSiO4 / Pnma (62) / materials id 6493
Description/Abstract:
Ab-initio phonon calculation for CaMgSiO4 / Pnma (62) Phonon band structure, phonon DOS, thermal properties at constant volume, and phono...
Keyword:
CaMgSiO4
,
Phonon
, and
Pnma (62)
Resource Type:
Dataset
Data origin:
simulation
Author:
Atsushi Togo
Date Uploaded:
26/05/2023
Ab-initio phonon calculation for CaTm2O4 / Pnma (62) / materials id 754410
Description/Abstract:
Ab-initio phonon calculation for CaTm2O4 / Pnma (62) Phonon band structure, phonon DOS, thermal properties at constant volume, and phonon...
Keyword:
CaTm2O4
,
Phonon
, and
Pnma (62)
Resource Type:
Dataset
Data origin:
simulation
Author:
Atsushi Togo
Date Uploaded:
26/05/2023
Ab-initio phonon calculation for K3ErSi3(HO5)2 / Pnma (62) / materials id 758527
Description/Abstract:
Ab-initio phonon calculation for K3ErSi3(HO5)2 / Pnma (62) Phonon band structure, phonon DOS, thermal properties at constant volume, and ...
Keyword:
K3ErSi3(HO5)2
,
Phonon
, and
Pnma (62)
Resource Type:
Dataset
Data origin:
simulation
Author:
Atsushi Togo
Date Uploaded:
26/05/2023
Ab-initio phonon calculation for KBF4 / Pnma (62) / materials id 4929
Description/Abstract:
Ab-initio phonon calculation for KBF4 / Pnma (62) Phonon band structure, phonon DOS, thermal properties at constant volume, and phonon ra...
Keyword:
KBF4
,
Phonon
, and
Pnma (62)
Resource Type:
Dataset
Data origin:
simulation
Author:
Atsushi Togo
Date Uploaded:
26/05/2023
Ab-initio phonon calculation for Na2Be2(SiO3)3 / Pnma (62) / materials id 555182
Description/Abstract:
Ab-initio phonon calculation for Na2Be2(SiO3)3 / Pnma (62) Phonon band structure, phonon DOS, thermal properties at constant volume, and ...
Keyword:
Na2Be2(SiO3)3
,
Phonon
, and
Pnma (62)
Resource Type:
Dataset
Data origin:
simulation
Author:
Atsushi Togo
Date Uploaded:
26/05/2023
Ab-initio phonon calculation for SrBr2 / Pnma (62) / materials id 567744
Description/Abstract:
Ab-initio phonon calculation for SrBr2 / Pnma (62) Phonon band structure, phonon DOS, thermal properties at constant volume, and phonon r...
Keyword:
Phonon
,
Pnma (62)
, and
SrBr2
Resource Type:
Dataset
Data origin:
simulation
Author:
Atsushi Togo
Date Uploaded:
26/05/2023
Ab-initio phonon calculation for Cu4Bi4S9 / Pnma (62) / materials id 559551
Description/Abstract:
Ab-initio phonon calculation for Cu4Bi4S9 / Pnma (62) Phonon band structure, phonon DOS, thermal properties at constant volume, and phono...
Keyword:
Cu4Bi4S9
,
Phonon
, and
Pnma (62)
Resource Type:
Dataset
Data origin:
simulation
Author:
Atsushi Togo
Date Uploaded:
26/05/2023
Ab-initio phonon calculation for YSO4F / Pnma (62) / materials id 17769
Description/Abstract:
Ab-initio phonon calculation for YSO4F / Pnma (62) Phonon band structure, phonon DOS, thermal properties at constant volume, and phonon r...
Keyword:
Phonon
,
Pnma (62)
, and
YSO4F
Resource Type:
Dataset
Data origin:
simulation
Author:
Atsushi Togo
Date Uploaded:
26/05/2023
Ab-initio phonon calculation for K3NbS4 / Pnma (62) / materials id 18383
Description/Abstract:
Ab-initio phonon calculation for K3NbS4 / Pnma (62) Phonon band structure, phonon DOS, thermal properties at constant volume, and phonon ...
Keyword:
K3NbS4
,
Phonon
, and
Pnma (62)
Resource Type:
Dataset
Data origin:
simulation
Author:
Atsushi Togo
Date Uploaded:
26/05/2023
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839
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MDR phonon calculation database
839
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Phonon
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839
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Creative Commons BY Attribution 4.0 International
839
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839
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Atsushi Togo
839
Funder
MEXT
839
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VASP
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phonopy
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