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5091.
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
5092.
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
5093.
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
5094.
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
5095.
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
5096.
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
5097.
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
5098.
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
5099.
Ab-initio phonon calculation for Ba2TiS4 / Pnma (62) / materials id 17908
Description/Abstract:
Ab-initio phonon calculation for Ba2TiS4 / Pnma (62) Phonon band structure, phonon DOS, thermal properties at constant volume, and phonon...
Keyword:
Ba2TiS4
,
Phonon
, and
Pnma (62)
Resource Type:
Dataset
Data origin:
simulation
Author:
Atsushi Togo
Date Uploaded:
22/05/2023
5100.
Ab-initio phonon calculation for ZrIN / R-3m (166) / materials id 580886
Description/Abstract:
Ab-initio phonon calculation for ZrIN / R-3m (166) Phonon band structure, phonon DOS, thermal properties at constant volume, and phonon r...
Keyword:
Phonon
,
R-3m (166)
, and
ZrIN
Resource Type:
Dataset
Data origin:
simulation
Author:
Atsushi Togo
Date Uploaded:
22/05/2023
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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
[remove]
10,137
P2_1/c (14)
1,072
Pnma (62)
839
C2/c (15)
599
C2/m (12)
368
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Publisher
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