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Ab-initio phonon calculation for ZnS / F-43m (216) / materials id 10695
Description/Abstract:
Ab-initio phonon calculation for ZnS / F-43m (216) Phonon band structure, phonon DOS, thermal properties at constant volume, and phonon r...
Keyword:
F-43m (216)
,
Phonon
, and
ZnS
Resource Type:
Dataset
Data origin:
simulation
Author:
Atsushi Togo
Date Uploaded:
26/05/2023
Ab-initio phonon calculation for Rb2TiO3 / Cmce (64) / materials id 5403
Description/Abstract:
Ab-initio phonon calculation for Rb2TiO3 / Cmce (64) Phonon band structure, phonon DOS, thermal properties at constant volume, and phonon...
Keyword:
Cmce (64)
,
Phonon
, and
Rb2TiO3
Resource Type:
Dataset
Data origin:
simulation
Author:
Atsushi Togo
Date Uploaded:
26/05/2023
Ab-initio phonon calculation for Ba2SrI6 / P-4b2 (117) / materials id 772875
Description/Abstract:
Ab-initio phonon calculation for Ba2SrI6 / P-4b2 (117) Phonon band structure, phonon DOS, thermal properties at constant volume, and phon...
Keyword:
Ba2SrI6
,
P-4b2 (117)
, and
Phonon
Resource Type:
Dataset
Data origin:
simulation
Author:
Atsushi Togo
Date Uploaded:
26/05/2023
Ab-initio phonon calculation for Li3AuS2 / Ibam (72) / materials id 15999
Description/Abstract:
Ab-initio phonon calculation for Li3AuS2 / Ibam (72) Phonon band structure, phonon DOS, thermal properties at constant volume, and phonon...
Keyword:
Ibam (72)
,
Li3AuS2
, and
Phonon
Resource Type:
Dataset
Data origin:
simulation
Author:
Atsushi Togo
Date Uploaded:
26/05/2023
Ab-initio phonon calculation for Er3CuGeS7 / P6_3 (173) / materials id 555081
Description/Abstract:
Ab-initio phonon calculation for Er3CuGeS7 / P6_3 (173) Phonon band structure, phonon DOS, thermal properties at constant volume, and pho...
Keyword:
Er3CuGeS7
,
P6_3 (173)
, and
Phonon
Resource Type:
Dataset
Data origin:
simulation
Author:
Atsushi Togo
Date Uploaded:
26/05/2023
Ab-initio phonon calculation for K7TaAs4 / Pmn2_1 (31) / materials id 18073
Description/Abstract:
Ab-initio phonon calculation for K7TaAs4 / Pmn2_1 (31) Phonon band structure, phonon DOS, thermal properties at constant volume, and phon...
Keyword:
K7TaAs4
,
Phonon
, and
Pmn2_1 (31)
Resource Type:
Dataset
Data origin:
simulation
Author:
Atsushi Togo
Date Uploaded:
26/05/2023
Ab-initio phonon calculation for Cu2As4S3Cl2 / P2_1/m (11) / materials id 560845
Description/Abstract:
Ab-initio phonon calculation for Cu2As4S3Cl2 / P2_1/m (11) Phonon band structure, phonon DOS, thermal properties at constant volume, and ...
Keyword:
Cu2As4S3Cl2
,
P2_1/m (11)
, and
Phonon
Resource Type:
Dataset
Data origin:
simulation
Author:
Atsushi Togo
Date Uploaded:
26/05/2023
Ab-initio phonon calculation for K3La(AsO4)2 / P2_1 (4) / materials id 975577
Description/Abstract:
Ab-initio phonon calculation for K3La(AsO4)2 / P2_1 (4) Phonon band structure, phonon DOS, thermal properties at constant volume, and pho...
Keyword:
K3La(AsO4)2
,
P2_1 (4)
, and
Phonon
Resource Type:
Dataset
Data origin:
simulation
Author:
Atsushi Togo
Date Uploaded:
26/05/2023
Ab-initio phonon calculation for Cs(BH)6 / Fm-3 (202) / materials id 24136
Description/Abstract:
Ab-initio phonon calculation for Cs(BH)6 / Fm-3 (202) Phonon band structure, phonon DOS, thermal properties at constant volume, and phono...
Keyword:
Cs(BH)6
,
Fm-3 (202)
, and
Phonon
Resource Type:
Dataset
Data origin:
simulation
Author:
Atsushi Togo
Date Uploaded:
26/05/2023
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
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10,034
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9
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MDR phonon calculation database
10,034
The history of DICE and NIMS Digital Library
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10,034
P2_1/c (14)
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10,034
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10,034
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10,043
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Creative Commons BY Attribution 4.0 International
10,040
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10,034
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Atsushi Togo
10,034
Hiori Kino
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Takashi Miyake
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Hieu Chi Dam
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Anh Tuan Nguyen
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10,043
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VASP
10,034
phonopy
10,034
spglib
10,034
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PHYSICAL REVIEW B
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Physical Review Applied
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SOLID STATE IONICS
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Science and Technology of Advanced Materials: Methods
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