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BaTiO3
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1.
Ab-initio phonon calculation for BaTiO3 / C222_1 (20) / materials id 558125
Description/Abstract:
Ab-initio phonon calculation for BaTiO3 / C222_1 (20) Phonon band structure, phonon DOS, thermal properties at constant volume, and phono...
Keyword:
BaTiO3
,
C222_1 (20)
, and
Phonon
Resource Type:
Dataset
Data origin:
simulation
Author:
Atsushi Togo
Date Uploaded:
26/05/2023
2.
Ab-initio phonon calculation for BaTiO3 / R3m (160) / materials id 5020
Description/Abstract:
Ab-initio phonon calculation for BaTiO3 / R3m (160) Phonon band structure, phonon DOS, thermal properties at constant volume, and phonon ...
Keyword:
BaTiO3
,
Phonon
, and
R3m (160)
Resource Type:
Dataset
Data origin:
simulation
Author:
Atsushi Togo
Date Uploaded:
18/05/2023
3.
Ab-initio phonon calculation for BaTiO3 / P4mm (99) / materials id 12992
Description/Abstract:
Ab-initio phonon calculation for BaTiO3 / P4mm (99) Phonon band structure, phonon DOS, thermal properties at constant volume, and phonon ...
Keyword:
BaTiO3
,
P4mm (99)
, and
Phonon
Resource Type:
Dataset
Data origin:
simulation
Author:
Atsushi Togo
Date Uploaded:
18/05/2023
4.
Ab-initio phonon calculation for BaTiO3 / P6_3/mmc (194) / materials id 5933
Description/Abstract:
Ab-initio phonon calculation for BaTiO3 / P6_3/mmc (194) Phonon band structure, phonon DOS, thermal properties at constant volume, and ph...
Keyword:
BaTiO3
,
P6_3/mmc (194)
, and
Phonon
Resource Type:
Dataset
Data origin:
simulation
Author:
Atsushi Togo
Date Uploaded:
17/05/2023
5.
Ab-initio phonon calculation for BaTiO3 / Amm2 (38) / materials id 5777
Description/Abstract:
Ab-initio phonon calculation for BaTiO3 / Amm2 (38) Phonon band structure, phonon DOS, thermal properties at constant volume, and phonon ...
Keyword:
Amm2 (38)
,
BaTiO3
, and
Phonon
Resource Type:
Dataset
Data origin:
simulation
Author:
Atsushi Togo
Date Uploaded:
15/05/2023
6.
Ab-initio phonon calculation for BaTiO3 / P4mm (99) / materials id 5986
Description/Abstract:
Ab-initio phonon calculation for BaTiO3 / P4mm (99) Phonon band structure, phonon DOS, thermal properties at constant volume, and phonon ...
Keyword:
BaTiO3
,
P4mm (99)
, and
Phonon
Resource Type:
Dataset
Data origin:
simulation
Author:
Atsushi Togo
Date Uploaded:
15/05/2023
7.
Ab-initio phonon calculation for BaTiO3 / Pm-3m (221) / materials id 2998
Description/Abstract:
Ab-initio phonon calculation for BaTiO3 / Pm-3m (221) Phonon band structure, phonon DOS, thermal properties at constant volume, and phono...
Keyword:
BaTiO3
,
Phonon
, and
Pm-3m (221)
Resource Type:
Dataset
Data origin:
simulation
Author:
Atsushi Togo
Date Uploaded:
15/05/2023
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7
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MDR phonon calculation database
7
Keyword
BaTiO3
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Phonon
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P4mm (99)
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Amm2 (38)
1
C222_1 (20)
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NIMS
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Creative Commons BY Attribution 4.0 International
7
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7
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Atsushi Togo
7
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MEXT
7
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VASP
7
phonopy
7
spglib
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7