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971.
Ab-initio phonon calculation for RbGaH2 / Pnma (62) / materials id 974682
Description/Abstract:
Ab-initio phonon calculation for RbGaH2 / Pnma (62) Phonon band structure, phonon DOS, thermal properties at constant volume, and phonon ...
Keyword:
Phonon
,
Pnma (62)
, and
RbGaH2
Resource Type:
Dataset
Data origin:
simulation
Author:
Atsushi Togo
Date Uploaded:
26/05/2023
972.
Ab-initio phonon calculation for Li3H6Ir / Pnma (62) / materials id 722890
Description/Abstract:
Ab-initio phonon calculation for Li3H6Ir / Pnma (62) Phonon band structure, phonon DOS, thermal properties at constant volume, and phonon...
Keyword:
Li3H6Ir
,
Phonon
, and
Pnma (62)
Resource Type:
Dataset
Data origin:
simulation
Author:
Atsushi Togo
Date Uploaded:
26/05/2023
973.
Ab-initio phonon calculation for Ba14AlSb11 / I4_1/acd (142) / materials id 530714
Description/Abstract:
Ab-initio phonon calculation for Ba14AlSb11 / I4_1/acd (142) Phonon band structure, phonon DOS, thermal properties at constant volume, an...
Keyword:
Ba14AlSb11
,
I4_1/acd (142)
, and
Phonon
Resource Type:
Dataset
Data origin:
simulation
Author:
Atsushi Togo
Date Uploaded:
26/05/2023
974.
Ab-initio phonon calculation for Pr3NbO7 / Cmcm (63) / materials id 14963
Description/Abstract:
Ab-initio phonon calculation for Pr3NbO7 / Cmcm (63) Phonon band structure, phonon DOS, thermal properties at constant volume, and phonon...
Keyword:
Cmcm (63)
,
Phonon
, and
Pr3NbO7
Resource Type:
Dataset
Data origin:
simulation
Author:
Atsushi Togo
Date Uploaded:
26/05/2023
975.
Ab-initio phonon calculation for Rb2HgPSe5 / P4_2/n (86) / materials id 569349
Description/Abstract:
Ab-initio phonon calculation for Rb2HgPSe5 / P4_2/n (86) Phonon band structure, phonon DOS, thermal properties at constant volume, and ph...
Keyword:
P4_2/n (86)
,
Phonon
, and
Rb2HgPSe5
Resource Type:
Dataset
Data origin:
simulation
Author:
Atsushi Togo
Date Uploaded:
26/05/2023
976.
Ab-initio phonon calculation for HgBr / I4/mmm (139) / materials id 23177
Description/Abstract:
Ab-initio phonon calculation for HgBr / I4/mmm (139) Phonon band structure, phonon DOS, thermal properties at constant volume, and phonon...
Keyword:
HgBr
,
I4/mmm (139)
, and
Phonon
Resource Type:
Dataset
Data origin:
simulation
Author:
Atsushi Togo
Date Uploaded:
26/05/2023
977.
Ab-initio phonon calculation for NaHoGeO4 / Pnma (62) / materials id 18334
Description/Abstract:
Ab-initio phonon calculation for NaHoGeO4 / Pnma (62) Phonon band structure, phonon DOS, thermal properties at constant volume, and phono...
Keyword:
NaHoGeO4
,
Phonon
, and
Pnma (62)
Resource Type:
Dataset
Data origin:
simulation
Author:
Atsushi Togo
Date Uploaded:
26/05/2023
978.
Ab-initio phonon calculation for Na2Zn5(PO4)4 / Pbcn (60) / materials id 560934
Description/Abstract:
Ab-initio phonon calculation for Na2Zn5(PO4)4 / Pbcn (60) Phonon band structure, phonon DOS, thermal properties at constant volume, and p...
Keyword:
Na2Zn5(PO4)4
,
Pbcn (60)
, and
Phonon
Resource Type:
Dataset
Data origin:
simulation
Author:
Atsushi Togo
Date Uploaded:
26/05/2023
979.
Ab-initio phonon calculation for P3IrO9 / Cc (9) / materials id 554749
Description/Abstract:
Ab-initio phonon calculation for P3IrO9 / Cc (9) Phonon band structure, phonon DOS, thermal properties at constant volume, and phonon raw...
Keyword:
Cc (9)
,
P3IrO9
, and
Phonon
Resource Type:
Dataset
Data origin:
simulation
Author:
Atsushi Togo
Date Uploaded:
26/05/2023
980.
Ab-initio phonon calculation for BaLa2O4 / Cmcm (63) / materials id 752726
Description/Abstract:
Ab-initio phonon calculation for BaLa2O4 / Cmcm (63) Phonon band structure, phonon DOS, thermal properties at constant volume, and phonon...
Keyword:
BaLa2O4
,
Cmcm (63)
, and
Phonon
Resource Type:
Dataset
Data origin:
simulation
Author:
Atsushi Togo
Date Uploaded:
26/05/2023
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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
10,137
P2_1/c (14)
1,072
Pnma (62)
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C2/c (15)
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10,137
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10,137
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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
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Atsushi Togo
10,137
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MEXT
10,034
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VASP
10,137
phonopy
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10,137
spglib
10,137
phono3py
103