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Ab-initio phonon calculation for CaTa2Bi2O9 / Cmc2_1 (36) / materials id 556697
Description/Abstract:
Ab-initio phonon calculation for CaTa2Bi2O9 / Cmc2_1 (36) Phonon band structure, phonon DOS, thermal properties at constant volume, and p...
Keyword:
CaTa2Bi2O9
,
Cmc2_1 (36)
, and
Phonon
Resource Type:
Dataset
Data origin:
simulation
Author:
Atsushi Togo
Date Uploaded:
25/05/2023
Ab-initio phonon calculation for Li2CuSb / F-43m (216) / materials id 15988
Description/Abstract:
Ab-initio phonon calculation for Li2CuSb / F-43m (216) Phonon band structure, phonon DOS, thermal properties at constant volume, and phon...
Keyword:
F-43m (216)
,
Li2CuSb
, and
Phonon
Resource Type:
Dataset
Data origin:
simulation
Author:
Atsushi Togo
Date Uploaded:
25/05/2023
Ab-initio phonon calculation for K3LiSi4 / Pnma (62) / materials id 28316
Description/Abstract:
Ab-initio phonon calculation for K3LiSi4 / Pnma (62) Phonon band structure, phonon DOS, thermal properties at constant volume, and phonon...
Keyword:
K3LiSi4
,
Phonon
, and
Pnma (62)
Resource Type:
Dataset
Data origin:
simulation
Author:
Atsushi Togo
Date Uploaded:
25/05/2023
Ab-initio phonon calculation for Rb2Se5 / P2_12_12_1 (19) / materials id 620372
Description/Abstract:
Ab-initio phonon calculation for Rb2Se5 / P2_12_12_1 (19) Phonon band structure, phonon DOS, thermal properties at constant volume, and p...
Keyword:
P2_12_12_1 (19)
,
Phonon
, and
Rb2Se5
Resource Type:
Dataset
Data origin:
simulation
Author:
Atsushi Togo
Date Uploaded:
25/05/2023
Ab-initio phonon calculation for NaTl2GaF6 / Fm-3m (225) / materials id 989561
Description/Abstract:
Ab-initio phonon calculation for NaTl2GaF6 / Fm-3m (225) Phonon band structure, phonon DOS, thermal properties at constant volume, and ph...
Keyword:
Fm-3m (225)
,
NaTl2GaF6
, and
Phonon
Resource Type:
Dataset
Data origin:
simulation
Author:
Atsushi Togo
Date Uploaded:
25/05/2023
Ab-initio phonon calculation for BeH8SO8 / I-4c2 (120) / materials id 23996
Description/Abstract:
Ab-initio phonon calculation for BeH8SO8 / I-4c2 (120) Phonon band structure, phonon DOS, thermal properties at constant volume, and phon...
Keyword:
BeH8SO8
,
I-4c2 (120)
, and
Phonon
Resource Type:
Dataset
Data origin:
simulation
Author:
Atsushi Togo
Date Uploaded:
25/05/2023
Ab-initio phonon calculation for SbIrS / P2_13 (198) / materials id 8630
Description/Abstract:
Ab-initio phonon calculation for SbIrS / P2_13 (198) Phonon band structure, phonon DOS, thermal properties at constant volume, and phonon...
Keyword:
P2_13 (198)
,
Phonon
, and
SbIrS
Resource Type:
Dataset
Data origin:
simulation
Author:
Atsushi Togo
Date Uploaded:
25/05/2023
Ab-initio phonon calculation for Na2PtSe2 / Cmc2_1 (36) / materials id 14588
Description/Abstract:
Ab-initio phonon calculation for Na2PtSe2 / Cmc2_1 (36) Phonon band structure, phonon DOS, thermal properties at constant volume, and pho...
Keyword:
Cmc2_1 (36)
,
Na2PtSe2
, and
Phonon
Resource Type:
Dataset
Data origin:
simulation
Author:
Atsushi Togo
Date Uploaded:
25/05/2023
Ab-initio phonon calculation for Er3SiCuS7 / P6_3 (173) / materials id 558980
Description/Abstract:
Ab-initio phonon calculation for Er3SiCuS7 / P6_3 (173) Phonon band structure, phonon DOS, thermal properties at constant volume, and pho...
Keyword:
Er3SiCuS7
,
P6_3 (173)
, and
Phonon
Resource Type:
Dataset
Data origin:
simulation
Author:
Atsushi Togo
Date Uploaded:
25/05/2023
Ab-initio phonon calculation for Ba7Pb17O24 / Pm (6) / materials id 758059
Description/Abstract:
Ab-initio phonon calculation for Ba7Pb17O24 / Pm (6) Phonon band structure, phonon DOS, thermal properties at constant volume, and phonon...
Keyword:
Ba7Pb17O24
,
Phonon
, and
Pm (6)
Resource Type:
Dataset
Data origin:
simulation
Author:
Atsushi Togo
Date Uploaded:
25/05/2023
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Type of work
Dataset
10,137
Collection
MDR phonon calculation database
10,034
Lattice thermal conductivity calculation datasets for 103 binary compounds by finite displacement method
103
Keyword
Phonon
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10,137
P2_1/c (14)
1,072
Pnma (62)
839
C2/c (15)
599
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NIMS
10,137
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Dataset
10,137
Visibility
open
10,137
Rights Statement Sim
Creative Commons BY Attribution 4.0 International
10,137
Data origin
simulation
10,034
simulations
103
Author
Atsushi Togo
10,137
Funder
MEXT
10,034
Software
VASP
10,137
phonopy
10,137
spglib
10,137
phono3py
103