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Ab-initio phonon calculation for Ca2BN2Cl / Pnma (62) / materials id 23632
Description/Abstract:
Ab-initio phonon calculation for Ca2BN2Cl / Pnma (62) Phonon band structure, phonon DOS, thermal properties at constant volume, and phono...
Keyword:
Ca2BN2Cl
,
Phonon
, and
Pnma (62)
Resource Type:
Dataset
Data origin:
simulation
Author:
Atsushi Togo
Date Uploaded:
18/05/2023
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Dataset
1
Collection
MDR phonon calculation database
1
Keyword
Ca2BN2Cl
[remove]
1
Phonon
1
Pnma (62)
1
Publisher
NIMS
1
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Dataset
1
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open
1
Rights Statement Sim
Creative Commons BY Attribution 4.0 International
1
Data origin
simulation
1
Author
Atsushi Togo
1
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MEXT
1
Software
VASP
1
phonopy
1
spglib
1