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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
Ab-initio phonon calculation for SrMgF4 / P2_1 (4) / materials id 561022
Description/Abstract:
Ab-initio phonon calculation for SrMgF4 / P2_1 (4) Phonon band structure, phonon DOS, thermal properties at constant volume, and phonon r...
Keyword:
P2_1 (4)
,
Phonon
, and
SrMgF4
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
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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