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Ab-initio phonon calculation for Rb2PtC2 / P-3m1 (164) / materials id 10919
Description/Abstract:
Ab-initio phonon calculation for Rb2PtC2 / P-3m1 (164) Phonon band structure, phonon DOS, thermal properties at constant volume, and phon...
Keyword:
P-3m1 (164)
,
Phonon
, and
Rb2PtC2
Resource Type:
Dataset
Data origin:
simulation
Author:
Atsushi Togo
Date Uploaded:
22/05/2023
Ab-initio phonon calculation for SrPHO4 / Pbca (61) / materials id 735022
Description/Abstract:
Ab-initio phonon calculation for SrPHO4 / Pbca (61) Phonon band structure, phonon DOS, thermal properties at constant volume, and phonon ...
Keyword:
Pbca (61)
,
Phonon
, and
SrPHO4
Resource Type:
Dataset
Data origin:
simulation
Author:
Atsushi Togo
Date Uploaded:
22/05/2023
Ab-initio phonon calculation for SiH3I / P2_1/c (14) / materials id 28538
Description/Abstract:
Ab-initio phonon calculation for SiH3I / P2_1/c (14) Phonon band structure, phonon DOS, thermal properties at constant volume, and phonon...
Keyword:
P2_1/c (14)
,
Phonon
, and
SiH3I
Resource Type:
Dataset
Data origin:
simulation
Author:
Atsushi Togo
Date Uploaded:
22/05/2023
Ab-initio phonon calculation for TiPHO5 / P2_1 (4) / materials id 554704
Description/Abstract:
Ab-initio phonon calculation for TiPHO5 / P2_1 (4) Phonon band structure, phonon DOS, thermal properties at constant volume, and phonon r...
Keyword:
P2_1 (4)
,
Phonon
, and
TiPHO5
Resource Type:
Dataset
Data origin:
simulation
Author:
Atsushi Togo
Date Uploaded:
22/05/2023
Ab-initio phonon calculation for K3Zn2F7 / I4/mmm (139) / materials id 3125
Description/Abstract:
Ab-initio phonon calculation for K3Zn2F7 / I4/mmm (139) Phonon band structure, phonon DOS, thermal properties at constant volume, and pho...
Keyword:
I4/mmm (139)
,
K3Zn2F7
, and
Phonon
Resource Type:
Dataset
Data origin:
simulation
Author:
Atsushi Togo
Date Uploaded:
22/05/2023
Ab-initio phonon calculation for LiLa(PO3)4 / C2/c (15) / materials id 560866
Description/Abstract:
Ab-initio phonon calculation for LiLa(PO3)4 / C2/c (15) Phonon band structure, phonon DOS, thermal properties at constant volume, and pho...
Keyword:
C2/c (15)
,
LiLa(PO3)4
, and
Phonon
Resource Type:
Dataset
Data origin:
simulation
Author:
Atsushi Togo
Date Uploaded:
22/05/2023
Ab-initio phonon calculation for YAuO2 / P6_3/mmc (194) / materials id 30251
Description/Abstract:
Ab-initio phonon calculation for YAuO2 / P6_3/mmc (194) Phonon band structure, phonon DOS, thermal properties at constant volume, and pho...
Keyword:
P6_3/mmc (194)
,
Phonon
, and
YAuO2
Resource Type:
Dataset
Data origin:
simulation
Author:
Atsushi Togo
Date Uploaded:
22/05/2023
Ab-initio phonon calculation for Ta2Cd2O7 / Fd-3m (227) / materials id 5548
Description/Abstract:
Ab-initio phonon calculation for Ta2Cd2O7 / Fd-3m (227) Phonon band structure, phonon DOS, thermal properties at constant volume, and pho...
Keyword:
Fd-3m (227)
,
Phonon
, and
Ta2Cd2O7
Resource Type:
Dataset
Data origin:
simulation
Author:
Atsushi Togo
Date Uploaded:
22/05/2023
Ab-initio phonon calculation for BeH2 / Ibam (72) / materials id 768203
Description/Abstract:
Ab-initio phonon calculation for BeH2 / Ibam (72) Phonon band structure, phonon DOS, thermal properties at constant volume, and phonon ra...
Keyword:
BeH2
,
Ibam (72)
, and
Phonon
Resource Type:
Dataset
Data origin:
simulation
Author:
Atsushi Togo
Date Uploaded:
22/05/2023
Ab-initio phonon calculation for NaLuO2 / R-3m (166) / materials id 755311
Description/Abstract:
Ab-initio phonon calculation for NaLuO2 / R-3m (166) Phonon band structure, phonon DOS, thermal properties at constant volume, and phonon...
Keyword:
NaLuO2
,
Phonon
, and
R-3m (166)
Resource Type:
Dataset
Data origin:
simulation
Author:
Atsushi Togo
Date Uploaded:
22/05/2023
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Type of work
Dataset
10,137
Publication
3
Collection
MDR phonon calculation database
10,034
Lattice thermal conductivity calculation datasets for 103 binary compounds by finite displacement method
103
Keyword
Phonon
10,137
P2_1/c (14)
1,072
Pnma (62)
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C2/c (15)
599
C2/m (12)
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NIMS
10,137
IOP Publishing
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The Physical Society of Japan
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10,137
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3
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10,140
Rights Statement Sim
Creative Commons BY Attribution 4.0 International
10,140
Data origin
simulation
10,034
simulations
103
Author
Atsushi Togo
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10,140
Isao Tanaka
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Terumasa Tadano
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Hiroyuki Hayashi
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Laurent Chaput
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MEXT
10,034
Software
VASP
10,137
phonopy
10,137
spglib
10,137
phono3py
103
Journal
JOURNAL OF PHYSICS-CONDENSED MATTER
1