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4981.
Ab-initio phonon calculation for Ba(LuS2)2 / Pnma (62) / materials id 984052
Description/Abstract:
Ab-initio phonon calculation for Ba(LuS2)2 / Pnma (62) Phonon band structure, phonon DOS, thermal properties at constant volume, and phon...
Keyword:
Ba(LuS2)2
,
Phonon
, and
Pnma (62)
Resource Type:
Dataset
Data origin:
simulation
Author:
Atsushi Togo
Date Uploaded:
22/05/2023
4982.
Ab-initio phonon calculation for BaNa(PO3)3 / P2_12_12_1 (19) / materials id 13755
Description/Abstract:
Ab-initio phonon calculation for BaNa(PO3)3 / P2_12_12_1 (19) Phonon band structure, phonon DOS, thermal properties at constant volume, a...
Keyword:
BaNa(PO3)3
,
P2_12_12_1 (19)
, and
Phonon
Resource Type:
Dataset
Data origin:
simulation
Author:
Atsushi Togo
Date Uploaded:
22/05/2023
4983.
Ab-initio phonon calculation for TlGaI4 / P2_1/c (14) / materials id 570306
Description/Abstract:
Ab-initio phonon calculation for TlGaI4 / P2_1/c (14) Phonon band structure, phonon DOS, thermal properties at constant volume, and phono...
Keyword:
P2_1/c (14)
,
Phonon
, and
TlGaI4
Resource Type:
Dataset
Data origin:
simulation
Author:
Atsushi Togo
Date Uploaded:
22/05/2023
4984.
Ab-initio phonon calculation for Al4CO4 / Cmc2_1 (36) / materials id 13703
Description/Abstract:
Ab-initio phonon calculation for Al4CO4 / Cmc2_1 (36) Phonon band structure, phonon DOS, thermal properties at constant volume, and phono...
Keyword:
Al4CO4
,
Cmc2_1 (36)
, and
Phonon
Resource Type:
Dataset
Data origin:
simulation
Author:
Atsushi Togo
Date Uploaded:
22/05/2023
4985.
Ab-initio phonon calculation for AlCuTe2 / I-42d (122) / materials id 8017
Description/Abstract:
Ab-initio phonon calculation for AlCuTe2 / I-42d (122) Phonon band structure, phonon DOS, thermal properties at constant volume, and phon...
Keyword:
AlCuTe2
,
I-42d (122)
, and
Phonon
Resource Type:
Dataset
Data origin:
simulation
Author:
Atsushi Togo
Date Uploaded:
22/05/2023
4986.
Ab-initio phonon calculation for KBi(PS3)2 / P2_1 (4) / materials id 557437
Description/Abstract:
Ab-initio phonon calculation for KBi(PS3)2 / P2_1 (4) Phonon band structure, phonon DOS, thermal properties at constant volume, and phono...
Keyword:
KBi(PS3)2
,
P2_1 (4)
, and
Phonon
Resource Type:
Dataset
Data origin:
simulation
Author:
Atsushi Togo
Date Uploaded:
22/05/2023
4987.
Ab-initio phonon calculation for La2Te4O11 / C2/c (15) / materials id 31249
Description/Abstract:
Ab-initio phonon calculation for La2Te4O11 / C2/c (15) Phonon band structure, phonon DOS, thermal properties at constant volume, and phon...
Keyword:
C2/c (15)
,
La2Te4O11
, and
Phonon
Resource Type:
Dataset
Data origin:
simulation
Author:
Atsushi Togo
Date Uploaded:
22/05/2023
4988.
Ab-initio phonon calculation for YScO3 / Pnma (62) / materials id 755165
Description/Abstract:
Ab-initio phonon calculation for YScO3 / Pnma (62) Phonon band structure, phonon DOS, thermal properties at constant volume, and phonon r...
Keyword:
Phonon
,
Pnma (62)
, and
YScO3
Resource Type:
Dataset
Data origin:
simulation
Author:
Atsushi Togo
Date Uploaded:
22/05/2023
4989.
Ab-initio phonon calculation for KZr6CCl15 / Pmma (51) / materials id 570066
Description/Abstract:
Ab-initio phonon calculation for KZr6CCl15 / Pmma (51) Phonon band structure, phonon DOS, thermal properties at constant volume, and phon...
Keyword:
KZr6CCl15
,
Phonon
, and
Pmma (51)
Resource Type:
Dataset
Data origin:
simulation
Author:
Atsushi Togo
Date Uploaded:
22/05/2023
4990.
Ab-initio phonon calculation for U(RhO3)2 / P4_2/mnm (136) / materials id 13836
Description/Abstract:
Ab-initio phonon calculation for U(RhO3)2 / P4_2/mnm (136) Phonon band structure, phonon DOS, thermal properties at constant volume, and ...
Keyword:
P4_2/mnm (136)
,
Phonon
, and
U(RhO3)2
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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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