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Ab-initio phonon calculation for Ga2HgO4 / Fd-3m (227) / materials id 755239
Description/Abstract:
Ab-initio phonon calculation for Ga2HgO4 / Fd-3m (227) Phonon band structure, phonon DOS, thermal properties at constant volume, and phon...
Keyword:
Fd-3m (227)
,
Ga2HgO4
, and
Phonon
Resource Type:
Dataset
Data origin:
simulation
Author:
Atsushi Togo
Date Uploaded:
26/05/2023
Ab-initio phonon calculation for Sm2Sn2O7 / Fd-3m (227) / materials id 2883
Description/Abstract:
Ab-initio phonon calculation for Sm2Sn2O7 / Fd-3m (227) Phonon band structure, phonon DOS, thermal properties at constant volume, and pho...
Keyword:
Fd-3m (227)
,
Phonon
, and
Sm2Sn2O7
Resource Type:
Dataset
Data origin:
simulation
Author:
Atsushi Togo
Date Uploaded:
26/05/2023
Ab-initio phonon calculation for Er2CdS4 / Fd-3m (227) / materials id 3041
Description/Abstract:
Ab-initio phonon calculation for Er2CdS4 / Fd-3m (227) Phonon band structure, phonon DOS, thermal properties at constant volume, and phon...
Keyword:
Er2CdS4
,
Fd-3m (227)
, and
Phonon
Resource Type:
Dataset
Data origin:
simulation
Author:
Atsushi Togo
Date Uploaded:
26/05/2023
Ab-initio phonon calculation for SrNd2O4 / Fd-3m (227) / materials id 753418
Description/Abstract:
Ab-initio phonon calculation for SrNd2O4 / Fd-3m (227) Phonon band structure, phonon DOS, thermal properties at constant volume, and phon...
Keyword:
Fd-3m (227)
,
Phonon
, and
SrNd2O4
Resource Type:
Dataset
Data origin:
simulation
Author:
Atsushi Togo
Date Uploaded:
26/05/2023
Ab-initio phonon calculation for RbGaO2 / Fd-3m (227) / materials id 754596
Description/Abstract:
Ab-initio phonon calculation for RbGaO2 / Fd-3m (227) Phonon band structure, phonon DOS, thermal properties at constant volume, and phono...
Keyword:
Fd-3m (227)
,
Phonon
, and
RbGaO2
Resource Type:
Dataset
Data origin:
simulation
Author:
Atsushi Togo
Date Uploaded:
26/05/2023
Ab-initio phonon calculation for Lu2Ti2O7 / Fd-3m (227) / materials id 3200
Description/Abstract:
Ab-initio phonon calculation for Lu2Ti2O7 / Fd-3m (227) Phonon band structure, phonon DOS, thermal properties at constant volume, and pho...
Keyword:
Fd-3m (227)
,
Lu2Ti2O7
, and
Phonon
Resource Type:
Dataset
Data origin:
simulation
Author:
Atsushi Togo
Date Uploaded:
26/05/2023
Ab-initio phonon calculation for Y2Sn2O7 / Fd-3m (227) / materials id 3370
Description/Abstract:
Ab-initio phonon calculation for Y2Sn2O7 / Fd-3m (227) Phonon band structure, phonon DOS, thermal properties at constant volume, and phon...
Keyword:
Fd-3m (227)
,
Phonon
, and
Y2Sn2O7
Resource Type:
Dataset
Data origin:
simulation
Author:
Atsushi Togo
Date Uploaded:
26/05/2023
Ab-initio phonon calculation for Tm2Ti2O7 / Fd-3m (227) / materials id 38418
Description/Abstract:
Ab-initio phonon calculation for Tm2Ti2O7 / Fd-3m (227) Phonon band structure, phonon DOS, thermal properties at constant volume, and pho...
Keyword:
Fd-3m (227)
,
Phonon
, and
Tm2Ti2O7
Resource Type:
Dataset
Data origin:
simulation
Author:
Atsushi Togo
Date Uploaded:
26/05/2023
Ab-initio phonon calculation for Nd2Pt2O7 / Fd-3m (227) / materials id 9765
Description/Abstract:
Ab-initio phonon calculation for Nd2Pt2O7 / Fd-3m (227) Phonon band structure, phonon DOS, thermal properties at constant volume, and pho...
Keyword:
Fd-3m (227)
,
Nd2Pt2O7
, and
Phonon
Resource Type:
Dataset
Data origin:
simulation
Author:
Atsushi Togo
Date Uploaded:
26/05/2023
Ab-initio phonon calculation for Tl2Pt2O7 / Fd-3m (227) / materials id 13801
Description/Abstract:
Ab-initio phonon calculation for Tl2Pt2O7 / Fd-3m (227) Phonon band structure, phonon DOS, thermal properties at constant volume, and pho...
Keyword:
Fd-3m (227)
,
Phonon
, and
Tl2Pt2O7
Resource Type:
Dataset
Data origin:
simulation
Author:
Atsushi Togo
Date Uploaded:
26/05/2023
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142
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MDR phonon calculation database
142
Keyword
Fd-3m (227)
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142
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NIMS
142
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142
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142
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Atsushi Togo
142
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142
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VASP
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phonopy
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spglib
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