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P6_3 (173)
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Ab-initio phonon calculation for KAlSiO4 / P6_3 (173) / materials id 8355
Description/Abstract:
Ab-initio phonon calculation for KAlSiO4 / P6_3 (173) Phonon band structure, phonon DOS, thermal properties at constant volume, and phono...
Keyword:
KAlSiO4
,
P6_3 (173)
, and
Phonon
Resource Type:
Dataset
Data origin:
simulation
Author:
Atsushi Togo
Date Uploaded:
27/05/2023
Ab-initio phonon calculation for Dy3CuSnS7 / P6_3 (173) / materials id 561499
Description/Abstract:
Ab-initio phonon calculation for Dy3CuSnS7 / P6_3 (173) Phonon band structure, phonon DOS, thermal properties at constant volume, and pho...
Keyword:
Dy3CuSnS7
,
P6_3 (173)
, and
Phonon
Resource Type:
Dataset
Data origin:
simulation
Author:
Atsushi Togo
Date Uploaded:
26/05/2023
Ab-initio phonon calculation for Y3CuSnS7 / P6_3 (173) / materials id 17747
Description/Abstract:
Ab-initio phonon calculation for Y3CuSnS7 / P6_3 (173) Phonon band structure, phonon DOS, thermal properties at constant volume, and phon...
Keyword:
P6_3 (173)
,
Phonon
, and
Y3CuSnS7
Resource Type:
Dataset
Data origin:
simulation
Author:
Atsushi Togo
Date Uploaded:
26/05/2023
Ab-initio phonon calculation for Sr(PN2)2 / P6_3 (173) / materials id 645364
Description/Abstract:
Ab-initio phonon calculation for Sr(PN2)2 / P6_3 (173) Phonon band structure, phonon DOS, thermal properties at constant volume, and phon...
Keyword:
P6_3 (173)
,
Phonon
, and
Sr(PN2)2
Resource Type:
Dataset
Data origin:
simulation
Author:
Atsushi Togo
Date Uploaded:
26/05/2023
Ab-initio phonon calculation for Ho3SiCuS7 / P6_3 (173) / materials id 17486
Description/Abstract:
Ab-initio phonon calculation for Ho3SiCuS7 / P6_3 (173) Phonon band structure, phonon DOS, thermal properties at constant volume, and pho...
Keyword:
Ho3SiCuS7
,
P6_3 (173)
, and
Phonon
Resource Type:
Dataset
Data origin:
simulation
Author:
Atsushi Togo
Date Uploaded:
26/05/2023
Ab-initio phonon calculation for SrAl2O4 / P6_3 (173) / materials id 5492
Description/Abstract:
Ab-initio phonon calculation for SrAl2O4 / P6_3 (173) Phonon band structure, phonon DOS, thermal properties at constant volume, and phono...
Keyword:
P6_3 (173)
,
Phonon
, and
SrAl2O4
Resource Type:
Dataset
Data origin:
simulation
Author:
Atsushi Togo
Date Uploaded:
26/05/2023
Ab-initio phonon calculation for NaPH3NO3 / P6_3 (173) / materials id 632684
Description/Abstract:
Ab-initio phonon calculation for NaPH3NO3 / P6_3 (173) Phonon band structure, phonon DOS, thermal properties at constant volume, and phon...
Keyword:
NaPH3NO3
,
P6_3 (173)
, and
Phonon
Resource Type:
Dataset
Data origin:
simulation
Author:
Atsushi Togo
Date Uploaded:
26/05/2023
Ab-initio phonon calculation for La3AgGeS7 / P6_3 (173) / materials id 617632
Description/Abstract:
Ab-initio phonon calculation for La3AgGeS7 / P6_3 (173) Phonon band structure, phonon DOS, thermal properties at constant volume, and pho...
Keyword:
La3AgGeS7
,
P6_3 (173)
, and
Phonon
Resource Type:
Dataset
Data origin:
simulation
Author:
Atsushi Togo
Date Uploaded:
26/05/2023
Ab-initio phonon calculation for Y3SiCuS7 / P6_3 (173) / materials id 561173
Description/Abstract:
Ab-initio phonon calculation for Y3SiCuS7 / P6_3 (173) Phonon band structure, phonon DOS, thermal properties at constant volume, and phon...
Keyword:
P6_3 (173)
,
Phonon
, and
Y3SiCuS7
Resource Type:
Dataset
Data origin:
simulation
Author:
Atsushi Togo
Date Uploaded:
26/05/2023
Ab-initio phonon calculation for La3AgSnS7 / P6_3 (173) / materials id 542888
Description/Abstract:
Ab-initio phonon calculation for La3AgSnS7 / P6_3 (173) Phonon band structure, phonon DOS, thermal properties at constant volume, and pho...
Keyword:
La3AgSnS7
,
P6_3 (173)
, and
Phonon
Resource Type:
Dataset
Data origin:
simulation
Author:
Atsushi Togo
Date Uploaded:
26/05/2023
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Dataset
87
Collection
MDR phonon calculation database
87
Keyword
P6_3 (173)
[remove]
87
Phonon
87
KAlSiO4
2
LiIO3
2
NaSiBO4
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NIMS
87
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87
Visibility
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87
Rights Statement Sim
Creative Commons BY Attribution 4.0 International
87
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simulation
87
Author
Atsushi Togo
87
Funder
MEXT
87
Software
VASP
87
phonopy
87
spglib
87