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P-62c (190)
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Ab-initio phonon calculation for W6CCl18 / P-62c (190) / materials id 30295
Description/Abstract:
Ab-initio phonon calculation for W6CCl18 / P-62c (190) Phonon band structure, phonon DOS, thermal properties at constant volume, and phon...
Keyword:
P-62c (190)
,
Phonon
, and
W6CCl18
Resource Type:
Dataset
Data origin:
simulation
Author:
Atsushi Togo
Date Uploaded:
26/05/2023
Ab-initio phonon calculation for K3NaUC3O11 / P-62c (190) / materials id 557407
Description/Abstract:
Ab-initio phonon calculation for K3NaUC3O11 / P-62c (190) Phonon band structure, phonon DOS, thermal properties at constant volume, and p...
Keyword:
K3NaUC3O11
,
P-62c (190)
, and
Phonon
Resource Type:
Dataset
Data origin:
simulation
Author:
Atsushi Togo
Date Uploaded:
26/05/2023
Ab-initio phonon calculation for SrBe3O4 / P-62c (190) / materials id 27791
Description/Abstract:
Ab-initio phonon calculation for SrBe3O4 / P-62c (190) Phonon band structure, phonon DOS, thermal properties at constant volume, and phon...
Keyword:
P-62c (190)
,
Phonon
, and
SrBe3O4
Resource Type:
Dataset
Data origin:
simulation
Author:
Atsushi Togo
Date Uploaded:
24/05/2023
Ab-initio phonon calculation for LaSiO3F / P-62c (190) / materials id 541995
Description/Abstract:
Ab-initio phonon calculation for LaSiO3F / P-62c (190) Phonon band structure, phonon DOS, thermal properties at constant volume, and phon...
Keyword:
LaSiO3F
,
P-62c (190)
, and
Phonon
Resource Type:
Dataset
Data origin:
simulation
Author:
Atsushi Togo
Date Uploaded:
24/05/2023
Ab-initio phonon calculation for Tl3AgI5 / P-62c (190) / materials id 28043
Description/Abstract:
Ab-initio phonon calculation for Tl3AgI5 / P-62c (190) Phonon band structure, phonon DOS, thermal properties at constant volume, and phon...
Keyword:
P-62c (190)
,
Phonon
, and
Tl3AgI5
Resource Type:
Dataset
Data origin:
simulation
Author:
Atsushi Togo
Date Uploaded:
23/05/2023
Ab-initio phonon calculation for Al2H12(SeO5)3 / P-62c (190) / materials id 707424
Description/Abstract:
Ab-initio phonon calculation for Al2H12(SeO5)3 / P-62c (190) Phonon band structure, phonon DOS, thermal properties at constant volume, an...
Keyword:
Al2H12(SeO5)3
,
P-62c (190)
, and
Phonon
Resource Type:
Dataset
Data origin:
simulation
Author:
Atsushi Togo
Date Uploaded:
23/05/2023
Ab-initio phonon calculation for Na4Cu6O5 / P-62c (190) / materials id 762063
Description/Abstract:
Ab-initio phonon calculation for Na4Cu6O5 / P-62c (190) Phonon band structure, phonon DOS, thermal properties at constant volume, and pho...
Keyword:
Na4Cu6O5
,
P-62c (190)
, and
Phonon
Resource Type:
Dataset
Data origin:
simulation
Author:
Atsushi Togo
Date Uploaded:
22/05/2023
Ab-initio phonon calculation for BaAlBO3F2 / P-62c (190) / materials id 558491
Description/Abstract:
Ab-initio phonon calculation for BaAlBO3F2 / P-62c (190) Phonon band structure, phonon DOS, thermal properties at constant volume, and ph...
Keyword:
BaAlBO3F2
,
P-62c (190)
, and
Phonon
Resource Type:
Dataset
Data origin:
simulation
Author:
Atsushi Togo
Date Uploaded:
22/05/2023
Ab-initio phonon calculation for KAg5S3 / P-62c (190) / materials id 28468
Description/Abstract:
Ab-initio phonon calculation for KAg5S3 / P-62c (190) Phonon band structure, phonon DOS, thermal properties at constant volume, and phono...
Keyword:
KAg5S3
,
P-62c (190)
, and
Phonon
Resource Type:
Dataset
Data origin:
simulation
Author:
Atsushi Togo
Date Uploaded:
22/05/2023
Ab-initio phonon calculation for K3Nb3Si2O13 / P-62c (190) / materials id 559346
Description/Abstract:
Ab-initio phonon calculation for K3Nb3Si2O13 / P-62c (190) Phonon band structure, phonon DOS, thermal properties at constant volume, and ...
Keyword:
K3Nb3Si2O13
,
P-62c (190)
, and
Phonon
Resource Type:
Dataset
Data origin:
simulation
Author:
Atsushi Togo
Date Uploaded:
22/05/2023
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MDR phonon calculation database
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P-62c (190)
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Atsushi Togo
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MEXT
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VASP
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phonopy
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spglib
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