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P6_3/mcm (193)
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Ab-initio phonon calculation for K3NdSi2O7 / P6_3/mcm (193) / materials id 8614
Description/Abstract:
Ab-initio phonon calculation for K3NdSi2O7 / P6_3/mcm (193) Phonon band structure, phonon DOS, thermal properties at constant volume, and...
Keyword:
K3NdSi2O7
,
P6_3/mcm (193)
, and
Phonon
Resource Type:
Dataset
Data origin:
simulation
Author:
Atsushi Togo
Date Uploaded:
26/05/2023
Ab-initio phonon calculation for K3HoSi2O7 / P6_3/mcm (193) / materials id 16596
Description/Abstract:
Ab-initio phonon calculation for K3HoSi2O7 / P6_3/mcm (193) Phonon band structure, phonon DOS, thermal properties at constant volume, and...
Keyword:
K3HoSi2O7
,
P6_3/mcm (193)
, and
Phonon
Resource Type:
Dataset
Data origin:
simulation
Author:
Atsushi Togo
Date Uploaded:
26/05/2023
Ab-initio phonon calculation for K3DySi2O7 / P6_3/mcm (193) / materials id 16595
Description/Abstract:
Ab-initio phonon calculation for K3DySi2O7 / P6_3/mcm (193) Phonon band structure, phonon DOS, thermal properties at constant volume, and...
Keyword:
K3DySi2O7
,
P6_3/mcm (193)
, and
Phonon
Resource Type:
Dataset
Data origin:
simulation
Author:
Atsushi Togo
Date Uploaded:
26/05/2023
Ab-initio phonon calculation for Sr(AsO3)2 / P6_3/mcm (193) / materials id 983061
Description/Abstract:
Ab-initio phonon calculation for Sr(AsO3)2 / P6_3/mcm (193) Phonon band structure, phonon DOS, thermal properties at constant volume, and...
Keyword:
P6_3/mcm (193)
,
Phonon
, and
Sr(AsO3)2
Resource Type:
Dataset
Data origin:
simulation
Author:
Atsushi Togo
Date Uploaded:
26/05/2023
Ab-initio phonon calculation for K2PbO3 / P6_3/mcm (193) / materials id 561277
Description/Abstract:
Ab-initio phonon calculation for K2PbO3 / P6_3/mcm (193) Phonon band structure, phonon DOS, thermal properties at constant volume, and ph...
Keyword:
K2PbO3
,
P6_3/mcm (193)
, and
Phonon
Resource Type:
Dataset
Data origin:
simulation
Author:
Atsushi Togo
Date Uploaded:
25/05/2023
Ab-initio phonon calculation for K3TmSi2O7 / P6_3/mcm (193) / materials id 16598
Description/Abstract:
Ab-initio phonon calculation for K3TmSi2O7 / P6_3/mcm (193) Phonon band structure, phonon DOS, thermal properties at constant volume, and...
Keyword:
K3TmSi2O7
,
P6_3/mcm (193)
, and
Phonon
Resource Type:
Dataset
Data origin:
simulation
Author:
Atsushi Togo
Date Uploaded:
24/05/2023
Ab-initio phonon calculation for Sr5As3H / P6_3/mcm (193) / materials id 24338
Description/Abstract:
Ab-initio phonon calculation for Sr5As3H / P6_3/mcm (193) Phonon band structure, phonon DOS, thermal properties at constant volume, and p...
Keyword:
P6_3/mcm (193)
,
Phonon
, and
Sr5As3H
Resource Type:
Dataset
Data origin:
simulation
Author:
Atsushi Togo
Date Uploaded:
24/05/2023
Ab-initio phonon calculation for Na2SnO3 / P6_3/mcm (193) / materials id 755486
Description/Abstract:
Ab-initio phonon calculation for Na2SnO3 / P6_3/mcm (193) Phonon band structure, phonon DOS, thermal properties at constant volume, and p...
Keyword:
Na2SnO3
,
P6_3/mcm (193)
, and
Phonon
Resource Type:
Dataset
Data origin:
simulation
Author:
Atsushi Togo
Date Uploaded:
23/05/2023
Ab-initio phonon calculation for TbK3Si2O7 / P6_3/mcm (193) / materials id 16594
Description/Abstract:
Ab-initio phonon calculation for TbK3Si2O7 / P6_3/mcm (193) Phonon band structure, phonon DOS, thermal properties at constant volume, and...
Keyword:
P6_3/mcm (193)
,
Phonon
, and
TbK3Si2O7
Resource Type:
Dataset
Data origin:
simulation
Author:
Atsushi Togo
Date Uploaded:
23/05/2023
Ab-initio phonon calculation for Ca6GaN5 / P6_3/mcm (193) / materials id 17875
Description/Abstract:
Ab-initio phonon calculation for Ca6GaN5 / P6_3/mcm (193) Phonon band structure, phonon DOS, thermal properties at constant volume, and p...
Keyword:
Ca6GaN5
,
P6_3/mcm (193)
, and
Phonon
Resource Type:
Dataset
Data origin:
simulation
Author:
Atsushi Togo
Date Uploaded:
23/05/2023
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14
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MDR phonon calculation database
14
Keyword
P6_3/mcm (193)
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Phonon
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NIMS
14
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14
Rights Statement Sim
Creative Commons BY Attribution 4.0 International
14
Data origin
simulation
14
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Atsushi Togo
14
Funder
MEXT
14
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VASP
14
phonopy
14
spglib
14