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Ab-initio phonon calculation for NbTlBr4O / C2 (5) / materials id 551826
Description/Abstract:
Ab-initio phonon calculation for NbTlBr4O / C2 (5) Phonon band structure, phonon DOS, thermal properties at constant volume, and phonon r...
Keyword:
C2 (5)
,
NbTlBr4O
, and
Phonon
Resource Type:
Dataset
Data origin:
simulation
Author:
Atsushi Togo
Date Uploaded:
22/05/2023
Ab-initio phonon calculation for Hg3(ClO)2 / P2_1/c (14) / materials id 22999
Description/Abstract:
Ab-initio phonon calculation for Hg3(ClO)2 / P2_1/c (14) Phonon band structure, phonon DOS, thermal properties at constant volume, and ph...
Keyword:
Hg3(ClO)2
,
P2_1/c (14)
, and
Phonon
Resource Type:
Dataset
Data origin:
simulation
Author:
Atsushi Togo
Date Uploaded:
22/05/2023
Ab-initio phonon calculation for Ba2HoB2ClO6 / P2_1/m (11) / materials id 558195
Description/Abstract:
Ab-initio phonon calculation for Ba2HoB2ClO6 / P2_1/m (11) Phonon band structure, phonon DOS, thermal properties at constant volume, and ...
Keyword:
Ba2HoB2ClO6
,
P2_1/m (11)
, and
Phonon
Resource Type:
Dataset
Data origin:
simulation
Author:
Atsushi Togo
Date Uploaded:
22/05/2023
Ab-initio phonon calculation for SnH22(Cl3O5)2 / P2_1/c (14) / materials id 554808
Description/Abstract:
Ab-initio phonon calculation for SnH22(Cl3O5)2 / P2_1/c (14) Phonon band structure, phonon DOS, thermal properties at constant volume, an...
Keyword:
P2_1/c (14)
,
Phonon
, and
SnH22(Cl3O5)2
Resource Type:
Dataset
Data origin:
simulation
Author:
Atsushi Togo
Date Uploaded:
22/05/2023
Ab-initio phonon calculation for ZnS / P3m1 (156) / materials id 556815
Description/Abstract:
Ab-initio phonon calculation for ZnS / P3m1 (156) Phonon band structure, phonon DOS, thermal properties at constant volume, and phonon ra...
Keyword:
P3m1 (156)
,
Phonon
, and
ZnS
Resource Type:
Dataset
Data origin:
simulation
Author:
Atsushi Togo
Date Uploaded:
22/05/2023
Ab-initio phonon calculation for CoPSe / Pbca (61) / materials id 10368
Description/Abstract:
Ab-initio phonon calculation for CoPSe / Pbca (61) Phonon band structure, phonon DOS, thermal properties at constant volume, and phonon r...
Keyword:
CoPSe
,
Pbca (61)
, and
Phonon
Resource Type:
Dataset
Data origin:
simulation
Author:
Atsushi Togo
Date Uploaded:
22/05/2023
Ab-initio phonon calculation for SrTaNO2 / Pm (6) / materials id 755441
Description/Abstract:
Ab-initio phonon calculation for SrTaNO2 / Pm (6) Phonon band structure, phonon DOS, thermal properties at constant volume, and phonon ra...
Keyword:
Phonon
,
Pm (6)
, and
SrTaNO2
Resource Type:
Dataset
Data origin:
simulation
Author:
Atsushi Togo
Date Uploaded:
22/05/2023
Ab-initio phonon calculation for Rb2TeBr6 / I4/m (87) / materials id 570324
Description/Abstract:
Ab-initio phonon calculation for Rb2TeBr6 / I4/m (87) Phonon band structure, phonon DOS, thermal properties at constant volume, and phono...
Keyword:
I4/m (87)
,
Phonon
, and
Rb2TeBr6
Resource Type:
Dataset
Data origin:
simulation
Author:
Atsushi Togo
Date Uploaded:
22/05/2023
Ab-initio phonon calculation for YAgO2 / P6_3/mmc (194) / materials id 30250
Description/Abstract:
Ab-initio phonon calculation for YAgO2 / P6_3/mmc (194) Phonon band structure, phonon DOS, thermal properties at constant volume, and pho...
Keyword:
P6_3/mmc (194)
,
Phonon
, and
YAgO2
Resource Type:
Dataset
Data origin:
simulation
Author:
Atsushi Togo
Date Uploaded:
22/05/2023
Ab-initio phonon calculation for Lu2GeO5 / Pnma (62) / materials id 768865
Description/Abstract:
Ab-initio phonon calculation for Lu2GeO5 / Pnma (62) Phonon band structure, phonon DOS, thermal properties at constant volume, and phonon...
Keyword:
Lu2GeO5
,
Phonon
, and
Pnma (62)
Resource Type:
Dataset
Data origin:
simulation
Author:
Atsushi Togo
Date Uploaded:
22/05/2023
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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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