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Ab-initio phonon calculation for LiPN2 / I-42d (122) / materials id 3524
Description/Abstract:
Ab-initio phonon calculation for LiPN2 / I-42d (122) Phonon band structure, phonon DOS, thermal properties at constant volume, and phonon...
Keyword:
I-42d (122)
,
LiPN2
, and
Phonon
Resource Type:
Dataset
Data origin:
simulation
Author:
Atsushi Togo
Date Uploaded:
26/05/2023
Ab-initio phonon calculation for SrTeO4 / Pbcn (60) / materials id 4274
Description/Abstract:
Ab-initio phonon calculation for SrTeO4 / Pbcn (60) Phonon band structure, phonon DOS, thermal properties at constant volume, and phonon ...
Keyword:
Pbcn (60)
,
Phonon
, and
SrTeO4
Resource Type:
Dataset
Data origin:
simulation
Author:
Atsushi Togo
Date Uploaded:
26/05/2023
Ab-initio phonon calculation for Rb3Na(RuO4)2 / P-3m1 (164) / materials id 12046
Description/Abstract:
Ab-initio phonon calculation for Rb3Na(RuO4)2 / P-3m1 (164) Phonon band structure, phonon DOS, thermal properties at constant volume, and...
Keyword:
P-3m1 (164)
,
Phonon
, and
Rb3Na(RuO4)2
Resource Type:
Dataset
Data origin:
simulation
Author:
Atsushi Togo
Date Uploaded:
26/05/2023
Ab-initio phonon calculation for Mg(BC)2 / Cmce (64) / materials id 3582
Description/Abstract:
Ab-initio phonon calculation for Mg(BC)2 / Cmce (64) Phonon band structure, phonon DOS, thermal properties at constant volume, and phonon...
Keyword:
Cmce (64)
,
Mg(BC)2
, and
Phonon
Resource Type:
Dataset
Data origin:
simulation
Author:
Atsushi Togo
Date Uploaded:
26/05/2023
Ab-initio phonon calculation for Mg(GaO2)2 / Cm (8) / materials id 530303
Description/Abstract:
Ab-initio phonon calculation for Mg(GaO2)2 / Cm (8) Phonon band structure, phonon DOS, thermal properties at constant volume, and phonon ...
Keyword:
Cm (8)
,
Mg(GaO2)2
, and
Phonon
Resource Type:
Dataset
Data origin:
simulation
Author:
Atsushi Togo
Date Uploaded:
26/05/2023
Ab-initio phonon calculation for Li2TiO3 / C2/c (15) / materials id 36864
Description/Abstract:
Ab-initio phonon calculation for Li2TiO3 / C2/c (15) Phonon band structure, phonon DOS, thermal properties at constant volume, and phonon...
Keyword:
C2/c (15)
,
Li2TiO3
, and
Phonon
Resource Type:
Dataset
Data origin:
simulation
Author:
Atsushi Togo
Date Uploaded:
26/05/2023
Ab-initio phonon calculation for B2O3 / Cmc2_1 (36) / materials id 717
Description/Abstract:
Ab-initio phonon calculation for B2O3 / Cmc2_1 (36) Phonon band structure, phonon DOS, thermal properties at constant volume, and phonon ...
Keyword:
B2O3
,
Cmc2_1 (36)
, and
Phonon
Resource Type:
Dataset
Data origin:
simulation
Author:
Atsushi Togo
Date Uploaded:
26/05/2023
Ab-initio phonon calculation for Na4Al3Ge3IO12 / P-43n (218) / materials id 23651
Description/Abstract:
Ab-initio phonon calculation for Na4Al3Ge3IO12 / P-43n (218) Phonon band structure, phonon DOS, thermal properties at constant volume, an...
Keyword:
Na4Al3Ge3IO12
,
P-43n (218)
, and
Phonon
Resource Type:
Dataset
Data origin:
simulation
Author:
Atsushi Togo
Date Uploaded:
26/05/2023
Ab-initio phonon calculation for AlTlF4 / I4/mcm (140) / materials id 557233
Description/Abstract:
Ab-initio phonon calculation for AlTlF4 / I4/mcm (140) Phonon band structure, phonon DOS, thermal properties at constant volume, and phon...
Keyword:
AlTlF4
,
I4/mcm (140)
, and
Phonon
Resource Type:
Dataset
Data origin:
simulation
Author:
Atsushi Togo
Date Uploaded:
26/05/2023
Ab-initio phonon calculation for SrHgO2 / R-3m (166) / materials id 978857
Description/Abstract:
Ab-initio phonon calculation for SrHgO2 / R-3m (166) Phonon band structure, phonon DOS, thermal properties at constant volume, and phonon...
Keyword:
Phonon
,
R-3m (166)
, and
SrHgO2
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
Collection
MDR phonon calculation database
10,034
The history of DICE and NIMS Digital Library
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10,034
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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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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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