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Ab-initio phonon calculation for FeS2 / Pa-3 (205) / materials id 226

Description/Abstract:

Ab-initio phonon calculation for FeS2 / Pa-3 (205) Phonon band structure, phonon DOS, thermal properties at constant volume, and phonon r...

Keyword:

FeS2, Pa-3 (205), and Phonon

Resource Type:

Dataset

Data origin:

simulation

Author:

Atsushi Togo

Date Uploaded:

17/05/2023
Ab-initio phonon calculation for FeS2 / Pnnm (58) / materials id 1522

Description/Abstract:

Ab-initio phonon calculation for FeS2 / Pnnm (58) Phonon band structure, phonon DOS, thermal properties at constant volume, and phonon ra...

Keyword:

FeS2, Phonon, and Pnnm (58)

Resource Type:

Dataset

Data origin:

simulation

Author:

Atsushi Togo

Date Uploaded:

16/05/2023