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I4_1/a (88)
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Ab-initio phonon calculation for CaGeO3 / I4_1/a (88) / materials id 554549
Description/Abstract:
Ab-initio phonon calculation for CaGeO3 / I4_1/a (88) Phonon band structure, phonon DOS, thermal properties at constant volume, and phono...
Keyword:
CaGeO3
,
I4_1/a (88)
, and
Phonon
Resource Type:
Dataset
Data origin:
simulation
Author:
Atsushi Togo
Date Uploaded:
23/05/2023
Ab-initio phonon calculation for NaReO4 / I4_1/a (88) / materials id 5558
Description/Abstract:
Ab-initio phonon calculation for NaReO4 / I4_1/a (88) Phonon band structure, phonon DOS, thermal properties at constant volume, and phono...
Keyword:
I4_1/a (88)
,
NaReO4
, and
Phonon
Resource Type:
Dataset
Data origin:
simulation
Author:
Atsushi Togo
Date Uploaded:
23/05/2023
Ab-initio phonon calculation for InH4NCl4 / I4_1/a (88) / materials id 863731
Description/Abstract:
Ab-initio phonon calculation for InH4NCl4 / I4_1/a (88) Phonon band structure, phonon DOS, thermal properties at constant volume, and pho...
Keyword:
I4_1/a (88)
,
InH4NCl4
, and
Phonon
Resource Type:
Dataset
Data origin:
simulation
Author:
Atsushi Togo
Date Uploaded:
22/05/2023
Ab-initio phonon calculation for TaO2 / I4_1/a (88) / materials id 510
Description/Abstract:
Ab-initio phonon calculation for TaO2 / I4_1/a (88) Phonon band structure, phonon DOS, thermal properties at constant volume, and phonon ...
Keyword:
I4_1/a (88)
,
Phonon
, and
TaO2
Resource Type:
Dataset
Data origin:
simulation
Author:
Atsushi Togo
Date Uploaded:
22/05/2023
Ab-initio phonon calculation for Ca(AuO2)2 / I4_1/a (88) / materials id 2898
Description/Abstract:
Ab-initio phonon calculation for Ca(AuO2)2 / I4_1/a (88) Phonon band structure, phonon DOS, thermal properties at constant volume, and ph...
Keyword:
Ca(AuO2)2
,
I4_1/a (88)
, and
Phonon
Resource Type:
Dataset
Data origin:
simulation
Author:
Atsushi Togo
Date Uploaded:
18/05/2023
Ab-initio phonon calculation for ReH4NO4 / I4_1/a (88) / materials id 24128
Description/Abstract:
Ab-initio phonon calculation for ReH4NO4 / I4_1/a (88) Phonon band structure, phonon DOS, thermal properties at constant volume, and phon...
Keyword:
I4_1/a (88)
,
Phonon
, and
ReH4NO4
Resource Type:
Dataset
Data origin:
simulation
Author:
Atsushi Togo
Date Uploaded:
18/05/2023
Ab-initio phonon calculation for CaZnF4 / I4_1/a (88) / materials id 5104
Description/Abstract:
Ab-initio phonon calculation for CaZnF4 / I4_1/a (88) Phonon band structure, phonon DOS, thermal properties at constant volume, and phono...
Keyword:
CaZnF4
,
I4_1/a (88)
, and
Phonon
Resource Type:
Dataset
Data origin:
simulation
Author:
Atsushi Togo
Date Uploaded:
18/05/2023
Ab-initio phonon calculation for ZrGeO4 / I4_1/a (88) / materials id 8042
Description/Abstract:
Ab-initio phonon calculation for ZrGeO4 / I4_1/a (88) Phonon band structure, phonon DOS, thermal properties at constant volume, and phono...
Keyword:
I4_1/a (88)
,
Phonon
, and
ZrGeO4
Resource Type:
Dataset
Data origin:
simulation
Author:
Atsushi Togo
Date Uploaded:
18/05/2023
Ab-initio phonon calculation for KReO4 / I4_1/a (88) / materials id 4757
Description/Abstract:
Ab-initio phonon calculation for KReO4 / I4_1/a (88) Phonon band structure, phonon DOS, thermal properties at constant volume, and phonon...
Keyword:
I4_1/a (88)
,
KReO4
, and
Phonon
Resource Type:
Dataset
Data origin:
simulation
Author:
Atsushi Togo
Date Uploaded:
18/05/2023
Ab-initio phonon calculation for RbNa3SnO4 / I4_1/a (88) / materials id 556968
Description/Abstract:
Ab-initio phonon calculation for RbNa3SnO4 / I4_1/a (88) Phonon band structure, phonon DOS, thermal properties at constant volume, and ph...
Keyword:
I4_1/a (88)
,
Phonon
, and
RbNa3SnO4
Resource Type:
Dataset
Data origin:
simulation
Author:
Atsushi Togo
Date Uploaded:
18/05/2023
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54
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MDR phonon calculation database
54
Keyword
I4_1/a (88)
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Phonon
54
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1
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NIMS
54
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54
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54
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Atsushi Togo
54
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MEXT
54
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VASP
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phonopy
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spglib
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