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I-42d (122)
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Ab-initio phonon calculation for Pr2S3 / I-42d (122) / materials id 32692
Description/Abstract:
Ab-initio phonon calculation for Pr2S3 / I-42d (122) Phonon band structure, phonon DOS, thermal properties at constant volume, and phonon...
Keyword:
I-42d (122)
,
Phonon
, and
Pr2S3
Resource Type:
Dataset
Data origin:
simulation
Author:
Atsushi Togo
Date Uploaded:
16/05/2023
Ab-initio phonon calculation for Ba(NdSe2)2 / I-42d (122) / materials id 36007
Description/Abstract:
Ab-initio phonon calculation for Ba(NdSe2)2 / I-42d (122) Phonon band structure, phonon DOS, thermal properties at constant volume, and p...
Keyword:
Ba(NdSe2)2
,
I-42d (122)
, and
Phonon
Resource Type:
Dataset
Data origin:
simulation
Author:
Atsushi Togo
Date Uploaded:
16/05/2023
Ab-initio phonon calculation for Ho2S3 / I-42d (122) / materials id 32787
Description/Abstract:
Ab-initio phonon calculation for Ho2S3 / I-42d (122) Phonon band structure, phonon DOS, thermal properties at constant volume, and phonon...
Keyword:
Ho2S3
,
I-42d (122)
, and
Phonon
Resource Type:
Dataset
Data origin:
simulation
Author:
Atsushi Togo
Date Uploaded:
16/05/2023
Ab-initio phonon calculation for MgSiP2 / I-42d (122) / materials id 2961
Description/Abstract:
Ab-initio phonon calculation for MgSiP2 / I-42d (122) Phonon band structure, phonon DOS, thermal properties at constant volume, and phono...
Keyword:
I-42d (122)
,
MgSiP2
, and
Phonon
Resource Type:
Dataset
Data origin:
simulation
Author:
Atsushi Togo
Date Uploaded:
16/05/2023
Ab-initio phonon calculation for Ba(PrSe2)2 / I-42d (122) / materials id 33606
Description/Abstract:
Ab-initio phonon calculation for Ba(PrSe2)2 / I-42d (122) Phonon band structure, phonon DOS, thermal properties at constant volume, and p...
Keyword:
Ba(PrSe2)2
,
I-42d (122)
, and
Phonon
Resource Type:
Dataset
Data origin:
simulation
Author:
Atsushi Togo
Date Uploaded:
16/05/2023
Ab-initio phonon calculation for LiAgF2 / I-42d (122) / materials id 758604
Description/Abstract:
Ab-initio phonon calculation for LiAgF2 / I-42d (122) Phonon band structure, phonon DOS, thermal properties at constant volume, and phono...
Keyword:
I-42d (122)
,
LiAgF2
, and
Phonon
Resource Type:
Dataset
Data origin:
simulation
Author:
Atsushi Togo
Date Uploaded:
16/05/2023
Ab-initio phonon calculation for Tl4Pd3Cl10 / I-42d (122) / materials id 574580
Description/Abstract:
Ab-initio phonon calculation for Tl4Pd3Cl10 / I-42d (122) Phonon band structure, phonon DOS, thermal properties at constant volume, and p...
Keyword:
I-42d (122)
,
Phonon
, and
Tl4Pd3Cl10
Resource Type:
Dataset
Data origin:
simulation
Author:
Atsushi Togo
Date Uploaded:
15/05/2023
Ab-initio phonon calculation for AlCuSe2 / I-42d (122) / materials id 8016
Description/Abstract:
Ab-initio phonon calculation for AlCuSe2 / I-42d (122) Phonon band structure, phonon DOS, thermal properties at constant volume, and phon...
Keyword:
AlCuSe2
,
I-42d (122)
, and
Phonon
Resource Type:
Dataset
Data origin:
simulation
Author:
Atsushi Togo
Date Uploaded:
15/05/2023
Ab-initio phonon calculation for ZnSiP2 / I-42d (122) / materials id 4763
Description/Abstract:
Ab-initio phonon calculation for ZnSiP2 / I-42d (122) Phonon band structure, phonon DOS, thermal properties at constant volume, and phono...
Keyword:
I-42d (122)
,
Phonon
, and
ZnSiP2
Resource Type:
Dataset
Data origin:
simulation
Author:
Atsushi Togo
Date Uploaded:
15/05/2023
Ab-initio phonon calculation for BeZnO2 / I-42d (122) / materials id 550433
Description/Abstract:
Ab-initio phonon calculation for BeZnO2 / I-42d (122) Phonon band structure, phonon DOS, thermal properties at constant volume, and phono...
Keyword:
BeZnO2
,
I-42d (122)
, and
Phonon
Resource Type:
Dataset
Data origin:
simulation
Author:
Atsushi Togo
Date Uploaded:
15/05/2023
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Dataset
115
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MDR phonon calculation database
115
Keyword
I-42d (122)
[remove]
115
Phonon
115
AlAgS2
1
AlAgSe2
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NIMS
115
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Rights Statement Sim
Creative Commons BY Attribution 4.0 International
115
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115
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Atsushi Togo
115
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MEXT
115
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VASP
115
phonopy
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115
spglib
115