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P6_3/mmc (194)
Remove constraint Keyword: P6_3/mmc (194)
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Ab-initio phonon calculation for Li2O2 / P6_3/mmc (194) / materials id 841
Description/Abstract:
Ab-initio phonon calculation for Li2O2 / P6_3/mmc (194) Phonon band structure, phonon DOS, thermal properties at constant volume, and pho...
Keyword:
Li2O2
,
P6_3/mmc (194)
, and
Phonon
Resource Type:
Dataset
Data origin:
simulation
Author:
Atsushi Togo
Date Uploaded:
15/05/2023
Ab-initio phonon calculation for RbZnF3 / P6_3/mmc (194) / materials id 4975
Description/Abstract:
Ab-initio phonon calculation for RbZnF3 / P6_3/mmc (194) Phonon band structure, phonon DOS, thermal properties at constant volume, and ph...
Keyword:
P6_3/mmc (194)
,
Phonon
, and
RbZnF3
Resource Type:
Dataset
Data origin:
simulation
Author:
Atsushi Togo
Date Uploaded:
15/05/2023
Ab-initio phonon calculation for BN / P6_3/mmc (194) / materials id 629015
Description/Abstract:
Ab-initio phonon calculation for BN / P6_3/mmc (194) Phonon band structure, phonon DOS, thermal properties at constant volume, and phonon...
Keyword:
BN
,
P6_3/mmc (194)
, and
Phonon
Resource Type:
Dataset
Data origin:
simulation
Author:
Atsushi Togo
Date Uploaded:
15/05/2023
Ab-initio phonon calculation for RbMgCl3 / P6_3/mmc (194) / materials id 662499
Description/Abstract:
Ab-initio phonon calculation for RbMgCl3 / P6_3/mmc (194) Phonon band structure, phonon DOS, thermal properties at constant volume, and p...
Keyword:
P6_3/mmc (194)
,
Phonon
, and
RbMgCl3
Resource Type:
Dataset
Data origin:
simulation
Author:
Atsushi Togo
Date Uploaded:
15/05/2023
Ab-initio phonon calculation for NaSe / P6_3/mmc (194) / materials id 15668
Description/Abstract:
Ab-initio phonon calculation for NaSe / P6_3/mmc (194) Phonon band structure, phonon DOS, thermal properties at constant volume, and phon...
Keyword:
NaSe
,
P6_3/mmc (194)
, and
Phonon
Resource Type:
Dataset
Data origin:
simulation
Author:
Atsushi Togo
Date Uploaded:
15/05/2023
Ab-initio phonon calculation for AlAuO2 / P6_3/mmc (194) / materials id 16613
Description/Abstract:
Ab-initio phonon calculation for AlAuO2 / P6_3/mmc (194) Phonon band structure, phonon DOS, thermal properties at constant volume, and ph...
Keyword:
AlAuO2
,
P6_3/mmc (194)
, and
Phonon
Resource Type:
Dataset
Data origin:
simulation
Author:
Atsushi Togo
Date Uploaded:
15/05/2023
Ab-initio phonon calculation for AlAgO2 / P6_3/mmc (194) / materials id 9631
Description/Abstract:
Ab-initio phonon calculation for AlAgO2 / P6_3/mmc (194) Phonon band structure, phonon DOS, thermal properties at constant volume, and ph...
Keyword:
AlAgO2
,
P6_3/mmc (194)
, and
Phonon
Resource Type:
Dataset
Data origin:
simulation
Author:
Atsushi Togo
Date Uploaded:
15/05/2023
Ab-initio phonon calculation for CsYO2 / P6_3/mmc (194) / materials id 541044
Description/Abstract:
Ab-initio phonon calculation for CsYO2 / P6_3/mmc (194) Phonon band structure, phonon DOS, thermal properties at constant volume, and pho...
Keyword:
CsYO2
,
P6_3/mmc (194)
, and
Phonon
Resource Type:
Dataset
Data origin:
simulation
Author:
Atsushi Togo
Date Uploaded:
15/05/2023
Ab-initio phonon calculation for K3NaRe2O9 / P6_3/mmc (194) / materials id 541393
Description/Abstract:
Ab-initio phonon calculation for K3NaRe2O9 / P6_3/mmc (194) Phonon band structure, phonon DOS, thermal properties at constant volume, and...
Keyword:
K3NaRe2O9
,
P6_3/mmc (194)
, and
Phonon
Resource Type:
Dataset
Data origin:
simulation
Author:
Atsushi Togo
Date Uploaded:
15/05/2023
Ab-initio phonon calculation for CsHoO2 / P6_3/mmc (194) / materials id 754154
Description/Abstract:
Ab-initio phonon calculation for CsHoO2 / P6_3/mmc (194) Phonon band structure, phonon DOS, thermal properties at constant volume, and ph...
Keyword:
CsHoO2
,
P6_3/mmc (194)
, and
Phonon
Resource Type:
Dataset
Data origin:
simulation
Author:
Atsushi Togo
Date Uploaded:
15/05/2023
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Dataset
176
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MDR phonon calculation database
176
Keyword
P6_3/mmc (194)
[remove]
176
Phonon
176
BN
3
SiO2
3
NaAl11O17
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NIMS
176
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Rights Statement Sim
Creative Commons BY Attribution 4.0 International
176
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176
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Atsushi Togo
176
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MEXT
176
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VASP
[remove]
176
phonopy
176
spglib
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