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Ab-initio phonon calculation for CaSO4 / P6_222 (180) / materials id 3082

Description/Abstract:

Ab-initio phonon calculation for CaSO4 / P6_222 (180) Phonon band structure, phonon DOS, thermal properties at constant volume, and phono...

Keyword:

CaSO4, P6_222 (180), and Phonon

Resource Type:

Dataset

Data origin:

simulation

Author:

Atsushi Togo

Date Uploaded:

26/05/2023
Ab-initio phonon calculation for CaSO4 / Cmcm (63) / materials id 4406

Description/Abstract:

Ab-initio phonon calculation for CaSO4 / Cmcm (63) Phonon band structure, phonon DOS, thermal properties at constant volume, and phonon r...

Keyword:

CaSO4, Cmcm (63), and Phonon

Resource Type:

Dataset

Data origin:

simulation

Author:

Atsushi Togo

Date Uploaded:

18/05/2023
Ab-initio phonon calculation for CaSO4 / P2_1/c (14) / materials id 12372

Description/Abstract:

Ab-initio phonon calculation for CaSO4 / P2_1/c (14) Phonon band structure, phonon DOS, thermal properties at constant volume, and phonon...

Keyword:

CaSO4, P2_1/c (14), and Phonon

Resource Type:

Dataset

Data origin:

simulation

Author:

Atsushi Togo

Date Uploaded:

18/05/2023
Ab-initio phonon calculation for CaSO4 / P6_422 (181) / materials id 556372

Description/Abstract:

Ab-initio phonon calculation for CaSO4 / P6_422 (181) Phonon band structure, phonon DOS, thermal properties at constant volume, and phono...

Keyword:

CaSO4, P6_422 (181), and Phonon

Resource Type:

Dataset

Data origin:

simulation

Author:

Atsushi Togo

Date Uploaded:

16/05/2023