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P4/mmm (123)
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Ab-initio phonon calculation for LuBi2ClO4 / P4/mmm (123) / materials id 550805
Description/Abstract:
Ab-initio phonon calculation for LuBi2ClO4 / P4/mmm (123) Phonon band structure, phonon DOS, thermal properties at constant volume, and p...
Keyword:
LuBi2ClO4
,
P4/mmm (123)
, and
Phonon
Resource Type:
Dataset
Data origin:
simulation
Author:
Atsushi Togo
Date Uploaded:
24/05/2023
Ab-initio phonon calculation for BaYF5 / P4/mmm (123) / materials id 778079
Description/Abstract:
Ab-initio phonon calculation for BaYF5 / P4/mmm (123) Phonon band structure, phonon DOS, thermal properties at constant volume, and phono...
Keyword:
BaYF5
,
P4/mmm (123)
, and
Phonon
Resource Type:
Dataset
Data origin:
simulation
Author:
Atsushi Togo
Date Uploaded:
24/05/2023
Ab-initio phonon calculation for RbLaTa2O7 / P4/mmm (123) / materials id 541600
Description/Abstract:
Ab-initio phonon calculation for RbLaTa2O7 / P4/mmm (123) Phonon band structure, phonon DOS, thermal properties at constant volume, and p...
Keyword:
P4/mmm (123)
,
Phonon
, and
RbLaTa2O7
Resource Type:
Dataset
Data origin:
simulation
Author:
Atsushi Togo
Date Uploaded:
24/05/2023
Ab-initio phonon calculation for YBi2IO4 / P4/mmm (123) / materials id 551816
Description/Abstract:
Ab-initio phonon calculation for YBi2IO4 / P4/mmm (123) Phonon band structure, phonon DOS, thermal properties at constant volume, and pho...
Keyword:
P4/mmm (123)
,
Phonon
, and
YBi2IO4
Resource Type:
Dataset
Data origin:
simulation
Author:
Atsushi Togo
Date Uploaded:
24/05/2023
Ab-initio phonon calculation for K2PdBr4 / P4/mmm (123) / materials id 27138
Description/Abstract:
Ab-initio phonon calculation for K2PdBr4 / P4/mmm (123) Phonon band structure, phonon DOS, thermal properties at constant volume, and pho...
Keyword:
K2PdBr4
,
P4/mmm (123)
, and
Phonon
Resource Type:
Dataset
Data origin:
simulation
Author:
Atsushi Togo
Date Uploaded:
24/05/2023
Ab-initio phonon calculation for DyBi2IO4 / P4/mmm (123) / materials id 546266
Description/Abstract:
Ab-initio phonon calculation for DyBi2IO4 / P4/mmm (123) Phonon band structure, phonon DOS, thermal properties at constant volume, and ph...
Keyword:
DyBi2IO4
,
P4/mmm (123)
, and
Phonon
Resource Type:
Dataset
Data origin:
simulation
Author:
Atsushi Togo
Date Uploaded:
24/05/2023
Ab-initio phonon calculation for K2PtBr4 / P4/mmm (123) / materials id 27243
Description/Abstract:
Ab-initio phonon calculation for K2PtBr4 / P4/mmm (123) Phonon band structure, phonon DOS, thermal properties at constant volume, and pho...
Keyword:
K2PtBr4
,
P4/mmm (123)
, and
Phonon
Resource Type:
Dataset
Data origin:
simulation
Author:
Atsushi Togo
Date Uploaded:
23/05/2023
Ab-initio phonon calculation for CsLaNb2O7 / P4/mmm (123) / materials id 553248
Description/Abstract:
Ab-initio phonon calculation for CsLaNb2O7 / P4/mmm (123) Phonon band structure, phonon DOS, thermal properties at constant volume, and p...
Keyword:
CsLaNb2O7
,
P4/mmm (123)
, and
Phonon
Resource Type:
Dataset
Data origin:
simulation
Author:
Atsushi Togo
Date Uploaded:
23/05/2023
Ab-initio phonon calculation for HoBi2IO4 / P4/mmm (123) / materials id 551101
Description/Abstract:
Ab-initio phonon calculation for HoBi2IO4 / P4/mmm (123) Phonon band structure, phonon DOS, thermal properties at constant volume, and ph...
Keyword:
HoBi2IO4
,
P4/mmm (123)
, and
Phonon
Resource Type:
Dataset
Data origin:
simulation
Author:
Atsushi Togo
Date Uploaded:
23/05/2023
Ab-initio phonon calculation for Na2Hf2O5 / P4/mmm (123) / materials id 865500
Description/Abstract:
Ab-initio phonon calculation for Na2Hf2O5 / P4/mmm (123) Phonon band structure, phonon DOS, thermal properties at constant volume, and ph...
Keyword:
Na2Hf2O5
,
P4/mmm (123)
, and
Phonon
Resource Type:
Dataset
Data origin:
simulation
Author:
Atsushi Togo
Date Uploaded:
22/05/2023
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61
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MDR phonon calculation database
61
Keyword
P4/mmm (123)
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61
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NIMS
61
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61
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simulation
61
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Atsushi Togo
61
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MEXT
61
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VASP
61
phonopy
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spglib
61