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Pnma (62)
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Ab-initio phonon calculation for CsBi3Se5 / Pnma (62) / materials id 567928
Description/Abstract:
Ab-initio phonon calculation for CsBi3Se5 / Pnma (62) Phonon band structure, phonon DOS, thermal properties at constant volume, and phono...
Keyword:
CsBi3Se5
,
Phonon
, and
Pnma (62)
Resource Type:
Dataset
Data origin:
simulation
Author:
Atsushi Togo
Date Uploaded:
15/05/2023
Ab-initio phonon calculation for SrSi2(BO4)2 / Pnma (62) / materials id 6032
Description/Abstract:
Ab-initio phonon calculation for SrSi2(BO4)2 / Pnma (62) Phonon band structure, phonon DOS, thermal properties at constant volume, and ph...
Keyword:
Phonon
,
Pnma (62)
, and
SrSi2(BO4)2
Resource Type:
Dataset
Data origin:
simulation
Author:
Atsushi Togo
Date Uploaded:
15/05/2023
Ab-initio phonon calculation for BaB4O7 / Pnma (62) / materials id 556974
Description/Abstract:
Ab-initio phonon calculation for BaB4O7 / Pnma (62) Phonon band structure, phonon DOS, thermal properties at constant volume, and phonon ...
Keyword:
BaB4O7
,
Phonon
, and
Pnma (62)
Resource Type:
Dataset
Data origin:
simulation
Author:
Atsushi Togo
Date Uploaded:
15/05/2023
Ab-initio phonon calculation for Nd4Te3N2 / Pnma (62) / materials id 570646
Description/Abstract:
Ab-initio phonon calculation for Nd4Te3N2 / Pnma (62) Phonon band structure, phonon DOS, thermal properties at constant volume, and phono...
Keyword:
Nd4Te3N2
,
Phonon
, and
Pnma (62)
Resource Type:
Dataset
Data origin:
simulation
Author:
Atsushi Togo
Date Uploaded:
15/05/2023
Ab-initio phonon calculation for Dy2Ge2O7 / Pnma (62) / materials id 773011
Description/Abstract:
Ab-initio phonon calculation for Dy2Ge2O7 / Pnma (62) Phonon band structure, phonon DOS, thermal properties at constant volume, and phono...
Keyword:
Dy2Ge2O7
,
Phonon
, and
Pnma (62)
Resource Type:
Dataset
Data origin:
simulation
Author:
Atsushi Togo
Date Uploaded:
15/05/2023
Ab-initio phonon calculation for La2Si4CN6 / Pnma (62) / materials id 866650
Description/Abstract:
Ab-initio phonon calculation for La2Si4CN6 / Pnma (62) Phonon band structure, phonon DOS, thermal properties at constant volume, and phon...
Keyword:
La2Si4CN6
,
Phonon
, and
Pnma (62)
Resource Type:
Dataset
Data origin:
simulation
Author:
Atsushi Togo
Date Uploaded:
15/05/2023
Ab-initio phonon calculation for SrZrS3 / Pnma (62) / materials id 5193
Description/Abstract:
Ab-initio phonon calculation for SrZrS3 / Pnma (62) Phonon band structure, phonon DOS, thermal properties at constant volume, and phonon ...
Keyword:
Phonon
,
Pnma (62)
, and
SrZrS3
Resource Type:
Dataset
Data origin:
simulation
Author:
Atsushi Togo
Date Uploaded:
15/05/2023
Ab-initio phonon calculation for NaYCO3F2 / Pnma (62) / materials id 558160
Description/Abstract:
Ab-initio phonon calculation for NaYCO3F2 / Pnma (62) Phonon band structure, phonon DOS, thermal properties at constant volume, and phono...
Keyword:
NaYCO3F2
,
Phonon
, and
Pnma (62)
Resource Type:
Dataset
Data origin:
simulation
Author:
Atsushi Togo
Date Uploaded:
15/05/2023
Ab-initio phonon calculation for KClO3 / Pnma (62) / materials id 556084
Description/Abstract:
Ab-initio phonon calculation for KClO3 / Pnma (62) Phonon band structure, phonon DOS, thermal properties at constant volume, and phonon r...
Keyword:
KClO3
,
Phonon
, and
Pnma (62)
Resource Type:
Dataset
Data origin:
simulation
Author:
Atsushi Togo
Date Uploaded:
15/05/2023
Ab-initio phonon calculation for Sr2BN2Cl / Pnma (62) / materials id 23131
Description/Abstract:
Ab-initio phonon calculation for Sr2BN2Cl / Pnma (62) Phonon band structure, phonon DOS, thermal properties at constant volume, and phono...
Keyword:
Phonon
,
Pnma (62)
, and
Sr2BN2Cl
Resource Type:
Dataset
Data origin:
simulation
Author:
Atsushi Togo
Date Uploaded:
15/05/2023
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839
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MDR phonon calculation database
839
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Phonon
839
Pnma (62)
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839
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839
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839
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Atsushi Togo
839
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MEXT
839
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VASP
839
phonopy
839
spglib
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