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P6_3/mmc (194)
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Ab-initio phonon calculation for Cs6K3GaSb4 / P6_3/mmc (194) / materials id 541811
Description/Abstract:
Ab-initio phonon calculation for Cs6K3GaSb4 / P6_3/mmc (194) Phonon band structure, phonon DOS, thermal properties at constant volume, an...
Keyword:
Cs6K3GaSb4
,
P6_3/mmc (194)
, and
Phonon
Resource Type:
Dataset
Data origin:
simulation
Author:
Atsushi Togo
Date Uploaded:
25/05/2023
Ab-initio phonon calculation for WS2 / P6_3/mmc (194) / materials id 224
Description/Abstract:
Ab-initio phonon calculation for WS2 / P6_3/mmc (194) Phonon band structure, phonon DOS, thermal properties at constant volume, and phono...
Keyword:
P6_3/mmc (194)
,
Phonon
, and
WS2
Resource Type:
Dataset
Data origin:
simulation
Author:
Atsushi Togo
Date Uploaded:
25/05/2023
Ab-initio phonon calculation for RbMgCl3 / P6_3/mmc (194) / materials id 27208
Description/Abstract:
Ab-initio phonon calculation for RbMgCl3 / P6_3/mmc (194) Phonon band structure, phonon DOS, thermal properties at constant volume, and p...
Keyword:
P6_3/mmc (194)
,
Phonon
, and
RbMgCl3
Resource Type:
Dataset
Data origin:
simulation
Author:
Atsushi Togo
Date Uploaded:
25/05/2023
Ab-initio phonon calculation for NaNbS2 / P6_3/mmc (194) / materials id 7937
Description/Abstract:
Ab-initio phonon calculation for NaNbS2 / P6_3/mmc (194) Phonon band structure, phonon DOS, thermal properties at constant volume, and ph...
Keyword:
NaNbS2
,
P6_3/mmc (194)
, and
Phonon
Resource Type:
Dataset
Data origin:
simulation
Author:
Atsushi Togo
Date Uploaded:
25/05/2023
Ab-initio phonon calculation for PF5 / P6_3/mmc (194) / materials id 8511
Description/Abstract:
Ab-initio phonon calculation for PF5 / P6_3/mmc (194) Phonon band structure, phonon DOS, thermal properties at constant volume, and phono...
Keyword:
P6_3/mmc (194)
,
PF5
, and
Phonon
Resource Type:
Dataset
Data origin:
simulation
Author:
Atsushi Togo
Date Uploaded:
25/05/2023
Ab-initio phonon calculation for CsMgCl3 / P6_3/mmc (194) / materials id 23004
Description/Abstract:
Ab-initio phonon calculation for CsMgCl3 / P6_3/mmc (194) Phonon band structure, phonon DOS, thermal properties at constant volume, and p...
Keyword:
CsMgCl3
,
P6_3/mmc (194)
, and
Phonon
Resource Type:
Dataset
Data origin:
simulation
Author:
Atsushi Togo
Date Uploaded:
25/05/2023
Ab-initio phonon calculation for GaCuO2 / P6_3/mmc (194) / materials id 11019
Description/Abstract:
Ab-initio phonon calculation for GaCuO2 / P6_3/mmc (194) Phonon band structure, phonon DOS, thermal properties at constant volume, and ph...
Keyword:
GaCuO2
,
P6_3/mmc (194)
, and
Phonon
Resource Type:
Dataset
Data origin:
simulation
Author:
Atsushi Togo
Date Uploaded:
25/05/2023
Ab-initio phonon calculation for ScAuO2 / P6_3/mmc (194) / materials id 11023
Description/Abstract:
Ab-initio phonon calculation for ScAuO2 / P6_3/mmc (194) Phonon band structure, phonon DOS, thermal properties at constant volume, and ph...
Keyword:
P6_3/mmc (194)
,
Phonon
, and
ScAuO2
Resource Type:
Dataset
Data origin:
simulation
Author:
Atsushi Togo
Date Uploaded:
25/05/2023
Ab-initio phonon calculation for Ba5Er2ZrAl2O13 / P6_3/mmc (194) / materials id 558566
Description/Abstract:
Ab-initio phonon calculation for Ba5Er2ZrAl2O13 / P6_3/mmc (194) Phonon band structure, phonon DOS, thermal properties at constant volume...
Keyword:
Ba5Er2ZrAl2O13
,
P6_3/mmc (194)
, and
Phonon
Resource Type:
Dataset
Data origin:
simulation
Author:
Atsushi Togo
Date Uploaded:
25/05/2023
Ab-initio phonon calculation for Ba5Ta2Cl2O9 / P6_3/mmc (194) / materials id 559378
Description/Abstract:
Ab-initio phonon calculation for Ba5Ta2Cl2O9 / P6_3/mmc (194) Phonon band structure, phonon DOS, thermal properties at constant volume, a...
Keyword:
Ba5Ta2Cl2O9
,
P6_3/mmc (194)
, and
Phonon
Resource Type:
Dataset
Data origin:
simulation
Author:
Atsushi Togo
Date Uploaded:
25/05/2023
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Type of work
Dataset
176
Collection
MDR phonon calculation database
176
Keyword
P6_3/mmc (194)
[remove]
176
Phonon
176
BN
3
SiO2
3
NaAl11O17
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NIMS
176
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Rights Statement Sim
Creative Commons BY Attribution 4.0 International
176
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simulation
176
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Atsushi Togo
176
Funder
MEXT
176
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VASP
176
phonopy
176
spglib
176