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P6_3/mmc (194)
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Ab-initio phonon calculation for H2 / P6_3/mmc (194) / materials id 23907
Description/Abstract:
Ab-initio phonon calculation for H2 / P6_3/mmc (194) Phonon band structure, phonon DOS, thermal properties at constant volume, and phonon...
Keyword:
H2
,
P6_3/mmc (194)
, and
Phonon
Resource Type:
Dataset
Data origin:
simulation
Author:
Atsushi Togo
Date Uploaded:
24/05/2023
Ab-initio phonon calculation for K3LuSi2O7 / P6_3/mmc (194) / materials id 557543
Description/Abstract:
Ab-initio phonon calculation for K3LuSi2O7 / P6_3/mmc (194) Phonon band structure, phonon DOS, thermal properties at constant volume, and...
Keyword:
K3LuSi2O7
,
P6_3/mmc (194)
, and
Phonon
Resource Type:
Dataset
Data origin:
simulation
Author:
Atsushi Togo
Date Uploaded:
24/05/2023
Ab-initio phonon calculation for KNbS2 / P6_3/mmc (194) / materials id 7938
Description/Abstract:
Ab-initio phonon calculation for KNbS2 / P6_3/mmc (194) Phonon band structure, phonon DOS, thermal properties at constant volume, and pho...
Keyword:
KNbS2
,
P6_3/mmc (194)
, and
Phonon
Resource Type:
Dataset
Data origin:
simulation
Author:
Atsushi Togo
Date Uploaded:
24/05/2023
Ab-initio phonon calculation for RbNiCl3 / P6_3/mmc (194) / materials id 23486
Description/Abstract:
Ab-initio phonon calculation for RbNiCl3 / P6_3/mmc (194) Phonon band structure, phonon DOS, thermal properties at constant volume, and p...
Keyword:
P6_3/mmc (194)
,
Phonon
, and
RbNiCl3
Resource Type:
Dataset
Data origin:
simulation
Author:
Atsushi Togo
Date Uploaded:
24/05/2023
Ab-initio phonon calculation for GaS / P6_3/mmc (194) / materials id 2507
Description/Abstract:
Ab-initio phonon calculation for GaS / P6_3/mmc (194) Phonon band structure, phonon DOS, thermal properties at constant volume, and phono...
Keyword:
GaS
,
P6_3/mmc (194)
, and
Phonon
Resource Type:
Dataset
Data origin:
simulation
Author:
Atsushi Togo
Date Uploaded:
24/05/2023
Ab-initio phonon calculation for Y2C(NO)2 / P6_3/mmc (194) / materials id 558658
Description/Abstract:
Ab-initio phonon calculation for Y2C(NO)2 / P6_3/mmc (194) Phonon band structure, phonon DOS, thermal properties at constant volume, and ...
Keyword:
P6_3/mmc (194)
,
Phonon
, and
Y2C(NO)2
Resource Type:
Dataset
Data origin:
simulation
Author:
Atsushi Togo
Date Uploaded:
24/05/2023
Ab-initio phonon calculation for Na3IO / P6_3/mmc (194) / materials id 769398
Description/Abstract:
Ab-initio phonon calculation for Na3IO / P6_3/mmc (194) Phonon band structure, phonon DOS, thermal properties at constant volume, and pho...
Keyword:
Na3IO
,
P6_3/mmc (194)
, and
Phonon
Resource Type:
Dataset
Data origin:
simulation
Author:
Atsushi Togo
Date Uploaded:
24/05/2023
Ab-initio phonon calculation for Cs2Pt / P6_3/mmc (194) / materials id 13548
Description/Abstract:
Ab-initio phonon calculation for Cs2Pt / P6_3/mmc (194) Phonon band structure, phonon DOS, thermal properties at constant volume, and pho...
Keyword:
Cs2Pt
,
P6_3/mmc (194)
, and
Phonon
Resource Type:
Dataset
Data origin:
simulation
Author:
Atsushi Togo
Date Uploaded:
23/05/2023
Ab-initio phonon calculation for TlInS2 / P6_3/mmc (194) / materials id 20042
Description/Abstract:
Ab-initio phonon calculation for TlInS2 / P6_3/mmc (194) Phonon band structure, phonon DOS, thermal properties at constant volume, and ph...
Keyword:
P6_3/mmc (194)
,
Phonon
, and
TlInS2
Resource Type:
Dataset
Data origin:
simulation
Author:
Atsushi Togo
Date Uploaded:
23/05/2023
Ab-initio phonon calculation for ErI3 / P6_3/mmc (194) / materials id 866003
Description/Abstract:
Ab-initio phonon calculation for ErI3 / P6_3/mmc (194) Phonon band structure, phonon DOS, thermal properties at constant volume, and phon...
Keyword:
ErI3
,
P6_3/mmc (194)
, and
Phonon
Resource Type:
Dataset
Data origin:
simulation
Author:
Atsushi Togo
Date Uploaded:
23/05/2023
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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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176
Visibility
open
176
Rights Statement Sim
Creative Commons BY Attribution 4.0 International
176
Data origin
simulation
176
Author
Atsushi Togo
176
Funder
MEXT
176
Software
VASP
176
phonopy
176
spglib
176