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Filtering by: Type of work Dataset Keyword K2ZnCl4 Rights Statement Sim Creative Commons BY Attribution 4.0 International

Ab-initio phonon calculation for K2ZnCl4 / Pna2_1 (33) / materials id 618177

Description/Abstract:

Ab-initio phonon calculation for K2ZnCl4 / Pna2_1 (33) Phonon band structure, phonon DOS, thermal properties at constant volume, and phon...

Keyword:

K2ZnCl4, Phonon, and Pna2_1 (33)

Resource Type:

Dataset

Data origin:

simulation

Author:

Atsushi Togo

Date Uploaded:

27/05/2023
Ab-initio phonon calculation for K2ZnCl4 / Pna2_1 (33) / materials id 647575

Description/Abstract:

Ab-initio phonon calculation for K2ZnCl4 / Pna2_1 (33) Phonon band structure, phonon DOS, thermal properties at constant volume, and phon...

Keyword:

K2ZnCl4, Phonon, and Pna2_1 (33)

Resource Type:

Dataset

Data origin:

simulation

Author:

Atsushi Togo

Date Uploaded:

26/05/2023
Ab-initio phonon calculation for K2ZnCl4 / Pnma (62) / materials id 653454

Description/Abstract:

Ab-initio phonon calculation for K2ZnCl4 / Pnma (62) Phonon band structure, phonon DOS, thermal properties at constant volume, and phonon...

Keyword:

K2ZnCl4, Phonon, and Pnma (62)

Resource Type:

Dataset

Data origin:

simulation

Author:

Atsushi Togo

Date Uploaded:

15/05/2023