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Ab-initio phonon calculation for Rh2S3 / R-3c (167) / materials id 974381
Description/Abstract:
Ab-initio phonon calculation for Rh2S3 / R-3c (167) Phonon band structure, phonon DOS, thermal properties at constant volume, and phonon ...
Keyword:
Phonon
,
R-3c (167)
, and
Rh2S3
Resource Type:
Dataset
Data origin:
simulation
Author:
Atsushi Togo
Date Uploaded:
22/05/2023
Ab-initio phonon calculation for SiO2 / P6_422 (181) / materials id 10851
Description/Abstract:
Ab-initio phonon calculation for SiO2 / P6_422 (181) Phonon band structure, phonon DOS, thermal properties at constant volume, and phonon...
Keyword:
P6_422 (181)
,
Phonon
, and
SiO2
Resource Type:
Dataset
Data origin:
simulation
Author:
Atsushi Togo
Date Uploaded:
22/05/2023
Ab-initio phonon calculation for Sr(Li2P)2 / R-3m (166) / materials id 570097
Description/Abstract:
Ab-initio phonon calculation for Sr(Li2P)2 / R-3m (166) Phonon band structure, phonon DOS, thermal properties at constant volume, and pho...
Keyword:
Phonon
,
R-3m (166)
, and
Sr(Li2P)2
Resource Type:
Dataset
Data origin:
simulation
Author:
Atsushi Togo
Date Uploaded:
22/05/2023
Ab-initio phonon calculation for TlF / Fm-3m (225) / materials id 2175
Description/Abstract:
Ab-initio phonon calculation for TlF / Fm-3m (225) Phonon band structure, phonon DOS, thermal properties at constant volume, and phonon r...
Keyword:
Fm-3m (225)
,
Phonon
, and
TlF
Resource Type:
Dataset
Data origin:
simulation
Author:
Atsushi Togo
Date Uploaded:
22/05/2023
Ab-initio phonon calculation for GaCl2 / Pnna (52) / materials id 568848
Description/Abstract:
Ab-initio phonon calculation for GaCl2 / Pnna (52) Phonon band structure, phonon DOS, thermal properties at constant volume, and phonon r...
Keyword:
GaCl2
,
Phonon
, and
Pnna (52)
Resource Type:
Dataset
Data origin:
simulation
Author:
Atsushi Togo
Date Uploaded:
22/05/2023
Ab-initio phonon calculation for RbMgF3 / Pm-3m (221) / materials id 8402
Description/Abstract:
Ab-initio phonon calculation for RbMgF3 / Pm-3m (221) Phonon band structure, phonon DOS, thermal properties at constant volume, and phono...
Keyword:
Phonon
,
Pm-3m (221)
, and
RbMgF3
Resource Type:
Dataset
Data origin:
simulation
Author:
Atsushi Togo
Date Uploaded:
22/05/2023
Ab-initio phonon calculation for K2MgCl4 / I4/mmm (139) / materials id 27207
Description/Abstract:
Ab-initio phonon calculation for K2MgCl4 / I4/mmm (139) Phonon band structure, phonon DOS, thermal properties at constant volume, and pho...
Keyword:
I4/mmm (139)
,
K2MgCl4
, and
Phonon
Resource Type:
Dataset
Data origin:
simulation
Author:
Atsushi Togo
Date Uploaded:
22/05/2023
Ab-initio phonon calculation for AlSb / F-43m (216) / materials id 2624
Description/Abstract:
Ab-initio phonon calculation for AlSb / F-43m (216) Phonon band structure, phonon DOS, thermal properties at constant volume, and phonon ...
Keyword:
AlSb
,
F-43m (216)
, and
Phonon
Resource Type:
Dataset
Data origin:
simulation
Author:
Atsushi Togo
Date Uploaded:
22/05/2023
Ab-initio phonon calculation for LiAsF6 / R-3 (148) / materials id 9144
Description/Abstract:
Ab-initio phonon calculation for LiAsF6 / R-3 (148) Phonon band structure, phonon DOS, thermal properties at constant volume, and phonon ...
Keyword:
LiAsF6
,
Phonon
, and
R-3 (148)
Resource Type:
Dataset
Data origin:
simulation
Author:
Atsushi Togo
Date Uploaded:
22/05/2023
Ab-initio phonon calculation for Nb2Cd2O7 / Fd-3m (227) / materials id 5472
Description/Abstract:
Ab-initio phonon calculation for Nb2Cd2O7 / Fd-3m (227) Phonon band structure, phonon DOS, thermal properties at constant volume, and pho...
Keyword:
Fd-3m (227)
,
Nb2Cd2O7
, and
Phonon
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
Collection
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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10,043
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Creative Commons BY Attribution 4.0 International
10,040
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Creative Commons BY-NC Attribution-NonCommercial 4.0 International
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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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