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MDR phonon calculation database
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Ab-initio phonon calculation for Li3In(BO3)2 / P2_1/c (14) / materials id 556799
Description/Abstract:
Ab-initio phonon calculation for Li3In(BO3)2 / P2_1/c (14) Phonon band structure, phonon DOS, thermal properties at constant volume, and ...
Keyword:
Li3In(BO3)2
,
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 Si / P6_3/mmc (194) / materials id 165
Description/Abstract:
Ab-initio phonon calculation for Si / P6_3/mmc (194) Phonon band structure, phonon DOS, thermal properties at constant volume, and phonon...
Keyword:
P6_3/mmc (194)
,
Phonon
, and
Si
Resource Type:
Dataset
Data origin:
simulation
Author:
Atsushi Togo
Date Uploaded:
26/05/2023
Ab-initio phonon calculation for BaS3 / P2_12_12 (18) / materials id 556296
Description/Abstract:
Ab-initio phonon calculation for BaS3 / P2_12_12 (18) Phonon band structure, phonon DOS, thermal properties at constant volume, and phono...
Keyword:
BaS3
,
P2_12_12 (18)
, and
Phonon
Resource Type:
Dataset
Data origin:
simulation
Author:
Atsushi Togo
Date Uploaded:
26/05/2023
Ab-initio phonon calculation for Li3GaSiO5 / Pna2_1 (33) / materials id 16996
Description/Abstract:
Ab-initio phonon calculation for Li3GaSiO5 / Pna2_1 (33) Phonon band structure, phonon DOS, thermal properties at constant volume, and ph...
Keyword:
Li3GaSiO5
,
Phonon
, and
Pna2_1 (33)
Resource Type:
Dataset
Data origin:
simulation
Author:
Atsushi Togo
Date Uploaded:
26/05/2023
Ab-initio phonon calculation for In(PO3)3 / Cc (9) / materials id 14535
Description/Abstract:
Ab-initio phonon calculation for In(PO3)3 / Cc (9) Phonon band structure, phonon DOS, thermal properties at constant volume, and phonon r...
Keyword:
Cc (9)
,
In(PO3)3
, and
Phonon
Resource Type:
Dataset
Data origin:
simulation
Author:
Atsushi Togo
Date Uploaded:
26/05/2023
Ab-initio phonon calculation for Y3TaO7 / C222_1 (20) / materials id 11321
Description/Abstract:
Ab-initio phonon calculation for Y3TaO7 / C222_1 (20) Phonon band structure, phonon DOS, thermal properties at constant volume, and phono...
Keyword:
C222_1 (20)
,
Phonon
, and
Y3TaO7
Resource Type:
Dataset
Data origin:
simulation
Author:
Atsushi Togo
Date Uploaded:
26/05/2023
Ab-initio phonon calculation for K2Ga2As3 / P2_1/c (14) / materials id 15432
Description/Abstract:
Ab-initio phonon calculation for K2Ga2As3 / P2_1/c (14) Phonon band structure, phonon DOS, thermal properties at constant volume, and pho...
Keyword:
K2Ga2As3
,
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 Sb6Pb6S17 / P2_12_12 (18) / materials id 630376
Description/Abstract:
Ab-initio phonon calculation for Sb6Pb6S17 / P2_12_12 (18) Phonon band structure, phonon DOS, thermal properties at constant volume, and ...
Keyword:
P2_12_12 (18)
,
Phonon
, and
Sb6Pb6S17
Resource Type:
Dataset
Data origin:
simulation
Author:
Atsushi Togo
Date Uploaded:
26/05/2023
Ab-initio phonon calculation for Nd2Pt2O7 / Fd-3m (227) / materials id 9765
Description/Abstract:
Ab-initio phonon calculation for Nd2Pt2O7 / Fd-3m (227) Phonon band structure, phonon DOS, thermal properties at constant volume, and pho...
Keyword:
Fd-3m (227)
,
Nd2Pt2O7
, and
Phonon
Resource Type:
Dataset
Data origin:
simulation
Author:
Atsushi Togo
Date Uploaded:
26/05/2023
Ab-initio phonon calculation for LiDyS2 / I4_1/amd (141) / materials id 33667
Description/Abstract:
Ab-initio phonon calculation for LiDyS2 / I4_1/amd (141) Phonon band structure, phonon DOS, thermal properties at constant volume, and ph...
Keyword:
I4_1/amd (141)
,
LiDyS2
, and
Phonon
Resource Type:
Dataset
Data origin:
simulation
Author:
Atsushi Togo
Date Uploaded:
26/05/2023
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Dataset
10,034
Collection
MDR phonon calculation database
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10,034
Keyword
Phonon
10,034
P2_1/c (14)
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Pnma (62)
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C2/c (15)
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C2/m (12)
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NIMS
10,034
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Dataset
10,034
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open
10,034
Rights Statement Sim
Creative Commons BY Attribution 4.0 International
10,034
Data origin
simulation
10,034
Author
Atsushi Togo
10,034
Funder
MEXT
10,034
Software
VASP
10,034
phonopy
10,034
spglib
10,034