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Ab-initio phonon calculation for P2O5 / Fdd2 (43) / materials id 2452
Description/Abstract:
Ab-initio phonon calculation for P2O5 / Fdd2 (43) Phonon band structure, phonon DOS, thermal properties at constant volume, and phonon ra...
Keyword:
Fdd2 (43)
,
P2O5
, and
Phonon
Resource Type:
Dataset
Data origin:
simulation
Author:
Atsushi Togo
Date Uploaded:
26/05/2023
Ab-initio phonon calculation for LaTa7O19 / P-6c2 (188) / materials id 14485
Description/Abstract:
Ab-initio phonon calculation for LaTa7O19 / P-6c2 (188) Phonon band structure, phonon DOS, thermal properties at constant volume, and pho...
Keyword:
LaTa7O19
,
P-6c2 (188)
, and
Phonon
Resource Type:
Dataset
Data origin:
simulation
Author:
Atsushi Togo
Date Uploaded:
26/05/2023
Ab-initio phonon calculation for Be3N2 / P6_3/mmc (194) / materials id 6977
Description/Abstract:
Ab-initio phonon calculation for Be3N2 / P6_3/mmc (194) Phonon band structure, phonon DOS, thermal properties at constant volume, and pho...
Keyword:
Be3N2
,
P6_3/mmc (194)
, and
Phonon
Resource Type:
Dataset
Data origin:
simulation
Author:
Atsushi Togo
Date Uploaded:
26/05/2023
Ab-initio phonon calculation for KNdPdO3 / C2/m (12) / materials id 558831
Description/Abstract:
Ab-initio phonon calculation for KNdPdO3 / C2/m (12) Phonon band structure, phonon DOS, thermal properties at constant volume, and phonon...
Keyword:
C2/m (12)
,
KNdPdO3
, and
Phonon
Resource Type:
Dataset
Data origin:
simulation
Author:
Atsushi Togo
Date Uploaded:
26/05/2023
Ab-initio phonon calculation for Li2ZrF6 / P2_1/c (14) / materials id 542219
Description/Abstract:
Ab-initio phonon calculation for Li2ZrF6 / P2_1/c (14) Phonon band structure, phonon DOS, thermal properties at constant volume, and phon...
Keyword:
Li2ZrF6
,
P2_1/c (14)
, and
Phonon
Resource Type:
Dataset
Data origin:
simulation
Author:
Atsushi Togo
Date Uploaded:
26/05/2023
Ab-initio phonon calculation for RbIO3 / R3m (160) / materials id 27193
Description/Abstract:
Ab-initio phonon calculation for RbIO3 / R3m (160) Phonon band structure, phonon DOS, thermal properties at constant volume, and phonon r...
Keyword:
Phonon
,
R3m (160)
, and
RbIO3
Resource Type:
Dataset
Data origin:
simulation
Author:
Atsushi Togo
Date Uploaded:
26/05/2023
Ab-initio phonon calculation for Ba4Ta2O9 / P-3c1 (165) / materials id 769394
Description/Abstract:
Ab-initio phonon calculation for Ba4Ta2O9 / P-3c1 (165) Phonon band structure, phonon DOS, thermal properties at constant volume, and pho...
Keyword:
Ba4Ta2O9
,
P-3c1 (165)
, and
Phonon
Resource Type:
Dataset
Data origin:
simulation
Author:
Atsushi Togo
Date Uploaded:
26/05/2023
Ab-initio phonon calculation for Tb2TeO2 / I4/mmm (139) / materials id 16036
Description/Abstract:
Ab-initio phonon calculation for Tb2TeO2 / I4/mmm (139) Phonon band structure, phonon DOS, thermal properties at constant volume, and pho...
Keyword:
I4/mmm (139)
,
Phonon
, and
Tb2TeO2
Resource Type:
Dataset
Data origin:
simulation
Author:
Atsushi Togo
Date Uploaded:
26/05/2023
Ab-initio phonon calculation for Na3SbSe4 / I-43m (217) / materials id 8703
Description/Abstract:
Ab-initio phonon calculation for Na3SbSe4 / I-43m (217) Phonon band structure, phonon DOS, thermal properties at constant volume, and pho...
Keyword:
I-43m (217)
,
Na3SbSe4
, and
Phonon
Resource Type:
Dataset
Data origin:
simulation
Author:
Atsushi Togo
Date Uploaded:
26/05/2023
Ab-initio phonon calculation for BiBPbO4 / P2_1/c (14) / materials id 556601
Description/Abstract:
Ab-initio phonon calculation for BiBPbO4 / P2_1/c (14) Phonon band structure, phonon DOS, thermal properties at constant volume, and phon...
Keyword:
BiBPbO4
,
P2_1/c (14)
, 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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8
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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10,042
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Creative Commons BY Attribution 4.0 International
10,039
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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
4
Takashi Miyake
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Hieu Chi Dam
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Anh Tuan Nguyen
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10,042
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VASP
10,034
phonopy
10,034
spglib
10,034
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PHYSICAL REVIEW B
1
SOLID STATE IONICS
1
Science and Technology of Advanced Materials: Methods
1