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K2ZnCl4
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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
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3
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MDR phonon calculation database
3
Keyword
K2ZnCl4
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3
Phonon
3
Pna2_1 (33)
2
Pnma (62)
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NIMS
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open
3
Rights Statement Sim
Creative Commons BY Attribution 4.0 International
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Data origin
simulation
3
Author
Atsushi Togo
3
Funder
MEXT
3
Software
VASP
3
phonopy
3
spglib
3