Skip to Content
Toggle navigation
Home
About
Help
Contact
Login
Search MDR
Go
Search Constraints
Start Over
Filtering by:
Software
phonopy
Remove constraint Software: phonopy
Keyword
Pnma (62)
Remove constraint Keyword: Pnma (62)
« Previous |
1
-
100
of
839
|
Next »
Sort by relevance
relevance
date uploaded ▼
date uploaded ▲
date modified ▼
date modified ▲
Number of results to display per page
100 per page
10
per page
20
per page
50
per page
100
per page
View results as:
List
Gallery
Masonry
Slideshow
Search Results
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
Ab-initio phonon calculation for Y3Si2ClO8 / Pnma (62) / materials id 558883
Description/Abstract:
Ab-initio phonon calculation for Y3Si2ClO8 / Pnma (62) Phonon band structure, phonon DOS, thermal properties at constant volume, and phon...
Keyword:
Phonon
,
Pnma (62)
, and
Y3Si2ClO8
Resource Type:
Dataset
Data origin:
simulation
Author:
Atsushi Togo
Date Uploaded:
26/05/2023
Ab-initio phonon calculation for BiOF / Pnma (62) / materials id 759825
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:
26/05/2023
Ab-initio phonon calculation for Al3Bi5I12 / Pnma (62) / materials id 645326
Description/Abstract:
Ab-initio phonon calculation for Al3Bi5I12 / Pnma (62) Phonon band structure, phonon DOS, thermal properties at constant volume, and phon...
Keyword:
Al3Bi5I12
,
Phonon
, and
Pnma (62)
Resource Type:
Dataset
Data origin:
simulation
Author:
Atsushi Togo
Date Uploaded:
26/05/2023
Ab-initio phonon calculation for KPPbS4 / Pnma (62) / materials id 638150
Description/Abstract:
Ab-initio phonon calculation for KPPbS4 / Pnma (62) Phonon band structure, phonon DOS, thermal properties at constant volume, and phonon ...
Keyword:
KPPbS4
,
Phonon
, and
Pnma (62)
Resource Type:
Dataset
Data origin:
simulation
Author:
Atsushi Togo
Date Uploaded:
26/05/2023
Ab-initio phonon calculation for Sb2Se3 / Pnma (62) / materials id 2160
Description/Abstract:
Ab-initio phonon calculation for Sb2Se3 / Pnma (62) Phonon band structure, phonon DOS, thermal properties at constant volume, and phonon ...
Keyword:
Phonon
,
Pnma (62)
, and
Sb2Se3
Resource Type:
Dataset
Data origin:
simulation
Author:
Atsushi Togo
Date Uploaded:
26/05/2023
Ab-initio phonon calculation for K2PrCl5 / Pnma (62) / materials id 569967
Description/Abstract:
Ab-initio phonon calculation for K2PrCl5 / Pnma (62) Phonon band structure, phonon DOS, thermal properties at constant volume, and phonon...
Keyword:
K2PrCl5
,
Phonon
, and
Pnma (62)
Resource Type:
Dataset
Data origin:
simulation
Author:
Atsushi Togo
Date Uploaded:
26/05/2023
Ab-initio phonon calculation for TbLi4F8 / Pnma (62) / materials id 505089
Description/Abstract:
Ab-initio phonon calculation for TbLi4F8 / Pnma (62) Phonon band structure, phonon DOS, thermal properties at constant volume, and phonon...
Keyword:
Phonon
,
Pnma (62)
, and
TbLi4F8
Resource Type:
Dataset
Data origin:
simulation
Author:
Atsushi Togo
Date Uploaded:
26/05/2023
Ab-initio phonon calculation for Lu3TaO7 / Pnma (62) / materials id 779145
Description/Abstract:
Ab-initio phonon calculation for Lu3TaO7 / Pnma (62) Phonon band structure, phonon DOS, thermal properties at constant volume, and phonon...
Keyword:
Lu3TaO7
,
Phonon
, and
Pnma (62)
Resource Type:
Dataset
Data origin:
simulation
Author:
Atsushi Togo
Date Uploaded:
26/05/2023
Ab-initio phonon calculation for CaPbO3 / Pnma (62) / materials id 20079
Description/Abstract:
Ab-initio phonon calculation for CaPbO3 / Pnma (62) Phonon band structure, phonon DOS, thermal properties at constant volume, and phonon ...
Keyword:
CaPbO3
,
Phonon
, and
Pnma (62)
Resource Type:
Dataset
Data origin:
simulation
Author:
Atsushi Togo
Date Uploaded:
26/05/2023
Ab-initio phonon calculation for BiSeCl / Pnma (62) / materials id 610491
Description/Abstract:
Ab-initio phonon calculation for BiSeCl / Pnma (62) Phonon band structure, phonon DOS, thermal properties at constant volume, and phonon ...
Keyword:
BiSeCl
,
Phonon
, and
Pnma (62)
Resource Type:
Dataset
Data origin:
simulation
Author:
Atsushi Togo
Date Uploaded:
26/05/2023
Ab-initio phonon calculation for LaS2 / Pnma (62) / materials id 1508
Description/Abstract:
Ab-initio phonon calculation for LaS2 / Pnma (62) Phonon band structure, phonon DOS, thermal properties at constant volume, and phonon ra...
Keyword:
LaS2
,
Phonon
, and
Pnma (62)
Resource Type:
Dataset
Data origin:
simulation
Author:
Atsushi Togo
Date Uploaded:
26/05/2023
Ab-initio phonon calculation for K5Ag2(AsSe3)3 / Pnma (62) / materials id 570836
Description/Abstract:
Ab-initio phonon calculation for K5Ag2(AsSe3)3 / Pnma (62) Phonon band structure, phonon DOS, thermal properties at constant volume, and ...
Keyword:
K5Ag2(AsSe3)3
,
Phonon
, and
Pnma (62)
Resource Type:
Dataset
Data origin:
simulation
Author:
Atsushi Togo
Date Uploaded:
26/05/2023
Ab-initio phonon calculation for Ca2AlF7 / Pnma (62) / materials id 29221
Description/Abstract:
Ab-initio phonon calculation for Ca2AlF7 / Pnma (62) Phonon band structure, phonon DOS, thermal properties at constant volume, and phonon...
Keyword:
Ca2AlF7
,
Phonon
, and
Pnma (62)
Resource Type:
Dataset
Data origin:
simulation
Author:
Atsushi Togo
Date Uploaded:
26/05/2023
Ab-initio phonon calculation for CaCO3 / Pnma (62) / materials id 553939
Description/Abstract:
Ab-initio phonon calculation for CaCO3 / Pnma (62) Phonon band structure, phonon DOS, thermal properties at constant volume, and phonon r...
Keyword:
CaCO3
,
Phonon
, and
Pnma (62)
Resource Type:
Dataset
Data origin:
simulation
Author:
Atsushi Togo
Date Uploaded:
26/05/2023
Ab-initio phonon calculation for LiTiAsO5 / Pnma (62) / materials id 6113
Description/Abstract:
Ab-initio phonon calculation for LiTiAsO5 / Pnma (62) Phonon band structure, phonon DOS, thermal properties at constant volume, and phono...
Keyword:
LiTiAsO5
,
Phonon
, and
Pnma (62)
Resource Type:
Dataset
Data origin:
simulation
Author:
Atsushi Togo
Date Uploaded:
26/05/2023
Ab-initio phonon calculation for NaZn2HSe2O7 / Pnma (62) / materials id 758168
Description/Abstract:
Ab-initio phonon calculation for NaZn2HSe2O7 / Pnma (62) Phonon band structure, phonon DOS, thermal properties at constant volume, and ph...
Keyword:
NaZn2HSe2O7
,
Phonon
, and
Pnma (62)
Resource Type:
Dataset
Data origin:
simulation
Author:
Atsushi Togo
Date Uploaded:
26/05/2023
Ab-initio phonon calculation for Sr3BCNCl2 / Pnma (62) / materials id 616577
Description/Abstract:
Ab-initio phonon calculation for Sr3BCNCl2 / Pnma (62) Phonon band structure, phonon DOS, thermal properties at constant volume, and phon...
Keyword:
Phonon
,
Pnma (62)
, and
Sr3BCNCl2
Resource Type:
Dataset
Data origin:
simulation
Author:
Atsushi Togo
Date Uploaded:
26/05/2023
Ab-initio phonon calculation for RbGaH2 / Pnma (62) / materials id 974682
Description/Abstract:
Ab-initio phonon calculation for RbGaH2 / Pnma (62) Phonon band structure, phonon DOS, thermal properties at constant volume, and phonon ...
Keyword:
Phonon
,
Pnma (62)
, and
RbGaH2
Resource Type:
Dataset
Data origin:
simulation
Author:
Atsushi Togo
Date Uploaded:
26/05/2023
Ab-initio phonon calculation for Li3H6Ir / Pnma (62) / materials id 722890
Description/Abstract:
Ab-initio phonon calculation for Li3H6Ir / Pnma (62) Phonon band structure, phonon DOS, thermal properties at constant volume, and phonon...
Keyword:
Li3H6Ir
,
Phonon
, and
Pnma (62)
Resource Type:
Dataset
Data origin:
simulation
Author:
Atsushi Togo
Date Uploaded:
26/05/2023
Ab-initio phonon calculation for NaHoGeO4 / Pnma (62) / materials id 18334
Description/Abstract:
Ab-initio phonon calculation for NaHoGeO4 / Pnma (62) Phonon band structure, phonon DOS, thermal properties at constant volume, and phono...
Keyword:
NaHoGeO4
,
Phonon
, and
Pnma (62)
Resource Type:
Dataset
Data origin:
simulation
Author:
Atsushi Togo
Date Uploaded:
26/05/2023
Ab-initio phonon calculation for BaBiBO4 / Pnma (62) / materials id 559186
Description/Abstract:
Ab-initio phonon calculation for BaBiBO4 / Pnma (62) Phonon band structure, phonon DOS, thermal properties at constant volume, and phonon...
Keyword:
BaBiBO4
,
Phonon
, and
Pnma (62)
Resource Type:
Dataset
Data origin:
simulation
Author:
Atsushi Togo
Date Uploaded:
26/05/2023
Ab-initio phonon calculation for Dy2TiO5 / Pnma (62) / materials id 771165
Description/Abstract:
Ab-initio phonon calculation for Dy2TiO5 / Pnma (62) Phonon band structure, phonon DOS, thermal properties at constant volume, and phonon...
Keyword:
Dy2TiO5
,
Phonon
, and
Pnma (62)
Resource Type:
Dataset
Data origin:
simulation
Author:
Atsushi Togo
Date Uploaded:
26/05/2023
Ab-initio phonon calculation for Li4ZrF8 / Pnma (62) / materials id 9308
Description/Abstract:
Ab-initio phonon calculation for Li4ZrF8 / Pnma (62) Phonon band structure, phonon DOS, thermal properties at constant volume, and phonon...
Keyword:
Li4ZrF8
,
Phonon
, and
Pnma (62)
Resource Type:
Dataset
Data origin:
simulation
Author:
Atsushi Togo
Date Uploaded:
26/05/2023
Ab-initio phonon calculation for K3PS4 / Pnma (62) / materials id 17989
Description/Abstract:
Ab-initio phonon calculation for K3PS4 / Pnma (62) Phonon band structure, phonon DOS, thermal properties at constant volume, and phonon r...
Keyword:
K3PS4
,
Phonon
, and
Pnma (62)
Resource Type:
Dataset
Data origin:
simulation
Author:
Atsushi Togo
Date Uploaded:
26/05/2023
Ab-initio phonon calculation for Sr2Bi2O5 / Pnma (62) / materials id 23357
Description/Abstract:
Ab-initio phonon calculation for Sr2Bi2O5 / Pnma (62) Phonon band structure, phonon DOS, thermal properties at constant volume, and phono...
Keyword:
Phonon
,
Pnma (62)
, and
Sr2Bi2O5
Resource Type:
Dataset
Data origin:
simulation
Author:
Atsushi Togo
Date Uploaded:
26/05/2023
Ab-initio phonon calculation for RbLiO / Pnma (62) / materials id 28545
Description/Abstract:
Ab-initio phonon calculation for RbLiO / Pnma (62) Phonon band structure, phonon DOS, thermal properties at constant volume, and phonon r...
Keyword:
Phonon
,
Pnma (62)
, and
RbLiO
Resource Type:
Dataset
Data origin:
simulation
Author:
Atsushi Togo
Date Uploaded:
26/05/2023
Ab-initio phonon calculation for Cs3PSe4 / Pnma (62) / materials id 583193
Description/Abstract:
Ab-initio phonon calculation for Cs3PSe4 / Pnma (62) Phonon band structure, phonon DOS, thermal properties at constant volume, and phonon...
Keyword:
Cs3PSe4
,
Phonon
, and
Pnma (62)
Resource Type:
Dataset
Data origin:
simulation
Author:
Atsushi Togo
Date Uploaded:
26/05/2023
Ab-initio phonon calculation for NaSmGeO4 / Pnma (62) / materials id 555904
Description/Abstract:
Ab-initio phonon calculation for NaSmGeO4 / Pnma (62) Phonon band structure, phonon DOS, thermal properties at constant volume, and phono...
Keyword:
NaSmGeO4
,
Phonon
, and
Pnma (62)
Resource Type:
Dataset
Data origin:
simulation
Author:
Atsushi Togo
Date Uploaded:
26/05/2023
Ab-initio phonon calculation for YbH2 / Pnma (62) / materials id 864603
Description/Abstract:
Ab-initio phonon calculation for YbH2 / Pnma (62) Phonon band structure, phonon DOS, thermal properties at constant volume, and phonon ra...
Keyword:
Phonon
,
Pnma (62)
, and
YbH2
Resource Type:
Dataset
Data origin:
simulation
Author:
Atsushi Togo
Date Uploaded:
26/05/2023
Ab-initio phonon calculation for BaNd2O4 / Pnma (62) / materials id 2892
Description/Abstract:
Ab-initio phonon calculation for BaNd2O4 / Pnma (62) Phonon band structure, phonon DOS, thermal properties at constant volume, and phonon...
Keyword:
BaNd2O4
,
Phonon
, and
Pnma (62)
Resource Type:
Dataset
Data origin:
simulation
Author:
Atsushi Togo
Date Uploaded:
26/05/2023
Ab-initio phonon calculation for Sn2Sb2S5 / Pnma (62) / materials id 17835
Description/Abstract:
Ab-initio phonon calculation for Sn2Sb2S5 / Pnma (62) Phonon band structure, phonon DOS, thermal properties at constant volume, and phono...
Keyword:
Phonon
,
Pnma (62)
, and
Sn2Sb2S5
Resource Type:
Dataset
Data origin:
simulation
Author:
Atsushi Togo
Date Uploaded:
26/05/2023
Ab-initio phonon calculation for PrBO3 / Pnma (62) / materials id 861504
Description/Abstract:
Ab-initio phonon calculation for PrBO3 / Pnma (62) Phonon band structure, phonon DOS, thermal properties at constant volume, and phonon r...
Keyword:
Phonon
,
Pnma (62)
, and
PrBO3
Resource Type:
Dataset
Data origin:
simulation
Author:
Atsushi Togo
Date Uploaded:
26/05/2023
Ab-initio phonon calculation for Cs2CdBi2S5 / Pnma (62) / materials id 559668
Description/Abstract:
Ab-initio phonon calculation for Cs2CdBi2S5 / Pnma (62) Phonon band structure, phonon DOS, thermal properties at constant volume, and pho...
Keyword:
Cs2CdBi2S5
,
Phonon
, and
Pnma (62)
Resource Type:
Dataset
Data origin:
simulation
Author:
Atsushi Togo
Date Uploaded:
26/05/2023
Ab-initio phonon calculation for Li5Cu(HO2)2 / Pnma (62) / materials id 769763
Description/Abstract:
Ab-initio phonon calculation for Li5Cu(HO2)2 / Pnma (62) Phonon band structure, phonon DOS, thermal properties at constant volume, and ph...
Keyword:
Li5Cu(HO2)2
,
Phonon
, and
Pnma (62)
Resource Type:
Dataset
Data origin:
simulation
Author:
Atsushi Togo
Date Uploaded:
26/05/2023
Ab-initio phonon calculation for Na3H6Rh / Pnma (62) / materials id 24747
Description/Abstract:
Ab-initio phonon calculation for Na3H6Rh / Pnma (62) Phonon band structure, phonon DOS, thermal properties at constant volume, and phonon...
Keyword:
Na3H6Rh
,
Phonon
, and
Pnma (62)
Resource Type:
Dataset
Data origin:
simulation
Author:
Atsushi Togo
Date Uploaded:
26/05/2023
Ab-initio phonon calculation for BaTi2O5 / Pnma (62) / materials id 558159
Description/Abstract:
Ab-initio phonon calculation for BaTi2O5 / Pnma (62) Phonon band structure, phonon DOS, thermal properties at constant volume, and phonon...
Keyword:
BaTi2O5
,
Phonon
, and
Pnma (62)
Resource Type:
Dataset
Data origin:
simulation
Author:
Atsushi Togo
Date Uploaded:
26/05/2023
Ab-initio phonon calculation for Sr2P2O7 / Pnma (62) / materials id 5616
Description/Abstract:
Ab-initio phonon calculation for Sr2P2O7 / Pnma (62) Phonon band structure, phonon DOS, thermal properties at constant volume, and phonon...
Keyword:
Phonon
,
Pnma (62)
, and
Sr2P2O7
Resource Type:
Dataset
Data origin:
simulation
Author:
Atsushi Togo
Date Uploaded:
26/05/2023
Ab-initio phonon calculation for RbBe4(BO3)3 / Pnma (62) / materials id 556393
Description/Abstract:
Ab-initio phonon calculation for RbBe4(BO3)3 / Pnma (62) Phonon band structure, phonon DOS, thermal properties at constant volume, and ph...
Keyword:
Phonon
,
Pnma (62)
, and
RbBe4(BO3)3
Resource Type:
Dataset
Data origin:
simulation
Author:
Atsushi Togo
Date Uploaded:
26/05/2023
Ab-initio phonon calculation for ScHO2 / Pnma (62) / materials id 625663
Description/Abstract:
Ab-initio phonon calculation for ScHO2 / Pnma (62) Phonon band structure, phonon DOS, thermal properties at constant volume, and phonon r...
Keyword:
Phonon
,
Pnma (62)
, and
ScHO2
Resource Type:
Dataset
Data origin:
simulation
Author:
Atsushi Togo
Date Uploaded:
26/05/2023
Ab-initio phonon calculation for Rb2Te3 / Pnma (62) / materials id 2095
Description/Abstract:
Ab-initio phonon calculation for Rb2Te3 / Pnma (62) Phonon band structure, phonon DOS, thermal properties at constant volume, and phonon ...
Keyword:
Phonon
,
Pnma (62)
, and
Rb2Te3
Resource Type:
Dataset
Data origin:
simulation
Author:
Atsushi Togo
Date Uploaded:
26/05/2023
Ab-initio phonon calculation for Ba3InAs3 / Pnma (62) / materials id 620346
Description/Abstract:
Ab-initio phonon calculation for Ba3InAs3 / Pnma (62) Phonon band structure, phonon DOS, thermal properties at constant volume, and phono...
Keyword:
Ba3InAs3
,
Phonon
, and
Pnma (62)
Resource Type:
Dataset
Data origin:
simulation
Author:
Atsushi Togo
Date Uploaded:
26/05/2023
Ab-initio phonon calculation for Rb3NbS4 / Pnma (62) / materials id 3719
Description/Abstract:
Ab-initio phonon calculation for Rb3NbS4 / Pnma (62) Phonon band structure, phonon DOS, thermal properties at constant volume, and phonon...
Keyword:
Phonon
,
Pnma (62)
, and
Rb3NbS4
Resource Type:
Dataset
Data origin:
simulation
Author:
Atsushi Togo
Date Uploaded:
26/05/2023
Ab-initio phonon calculation for Er3TaO7 / Pnma (62) / materials id 773067
Description/Abstract:
Ab-initio phonon calculation for Er3TaO7 / Pnma (62) Phonon band structure, phonon DOS, thermal properties at constant volume, and phonon...
Keyword:
Er3TaO7
,
Phonon
, and
Pnma (62)
Resource Type:
Dataset
Data origin:
simulation
Author:
Atsushi Togo
Date Uploaded:
26/05/2023
Ab-initio phonon calculation for BiF3 / Pnma (62) / materials id 23237
Description/Abstract:
Ab-initio phonon calculation for BiF3 / Pnma (62) Phonon band structure, phonon DOS, thermal properties at constant volume, and phonon ra...
Keyword:
BiF3
,
Phonon
, and
Pnma (62)
Resource Type:
Dataset
Data origin:
simulation
Author:
Atsushi Togo
Date Uploaded:
26/05/2023
Ab-initio phonon calculation for DyAlO3 / Pnma (62) / materials id 756630
Description/Abstract:
Ab-initio phonon calculation for DyAlO3 / Pnma (62) Phonon band structure, phonon DOS, thermal properties at constant volume, and phonon ...
Keyword:
DyAlO3
,
Phonon
, and
Pnma (62)
Resource Type:
Dataset
Data origin:
simulation
Author:
Atsushi Togo
Date Uploaded:
26/05/2023
Ab-initio phonon calculation for LaTa3O9 / Pnma (62) / materials id 5308
Description/Abstract:
Ab-initio phonon calculation for LaTa3O9 / Pnma (62) Phonon band structure, phonon DOS, thermal properties at constant volume, and phonon...
Keyword:
LaTa3O9
,
Phonon
, and
Pnma (62)
Resource Type:
Dataset
Data origin:
simulation
Author:
Atsushi Togo
Date Uploaded:
26/05/2023
Ab-initio phonon calculation for KNO3 / Pnma (62) / materials id 9475
Description/Abstract:
Ab-initio phonon calculation for KNO3 / Pnma (62) Phonon band structure, phonon DOS, thermal properties at constant volume, and phonon ra...
Keyword:
KNO3
,
Phonon
, and
Pnma (62)
Resource Type:
Dataset
Data origin:
simulation
Author:
Atsushi Togo
Date Uploaded:
26/05/2023
Ab-initio phonon calculation for CuBiS2 / Pnma (62) / materials id 22982
Description/Abstract:
Ab-initio phonon calculation for CuBiS2 / Pnma (62) Phonon band structure, phonon DOS, thermal properties at constant volume, and phonon ...
Keyword:
CuBiS2
,
Phonon
, and
Pnma (62)
Resource Type:
Dataset
Data origin:
simulation
Author:
Atsushi Togo
Date Uploaded:
26/05/2023
Ab-initio phonon calculation for Ba3Bi(ClO)3 / Pnma (62) / materials id 556855
Description/Abstract:
Ab-initio phonon calculation for Ba3Bi(ClO)3 / Pnma (62) Phonon band structure, phonon DOS, thermal properties at constant volume, and ph...
Keyword:
Ba3Bi(ClO)3
,
Phonon
, and
Pnma (62)
Resource Type:
Dataset
Data origin:
simulation
Author:
Atsushi Togo
Date Uploaded:
26/05/2023
Ab-initio phonon calculation for LiSiBiO4 / Pnma (62) / materials id 753327
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:
26/05/2023
« Previous
Next »
1
2
3
4
5
…
8
9
Toggle facets
Limit your search
Type of work
Dataset
839
Collection
MDR phonon calculation database
839
Keyword
Phonon
839
Pnma (62)
[remove]
839
Ba3(BrO)2
3
BiOF
3
AlHO2
2
more
Keywords
»
Publisher
NIMS
839
Resource type
Dataset
839
Visibility
open
839
Rights Statement Sim
Creative Commons BY Attribution 4.0 International
839
Data origin
simulation
839
Author
Atsushi Togo
839
Funder
MEXT
839
Software
VASP
839
phonopy
[remove]
839
spglib
839