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5021.
Ab-initio phonon calculation for Nb2Cd2O7 / Fd-3m (227) / materials id 5472
Description/Abstract:
Ab-initio phonon calculation for Nb2Cd2O7 / Fd-3m (227) Phonon band structure, phonon DOS, thermal properties at constant volume, and pho...
Keyword:
Fd-3m (227)
,
Nb2Cd2O7
, and
Phonon
Resource Type:
Dataset
Data origin:
simulation
Author:
Atsushi Togo
Date Uploaded:
22/05/2023
5022.
Ab-initio phonon calculation for Ba3Y2F12 / P4/mbm (127) / materials id 752420
Description/Abstract:
Ab-initio phonon calculation for Ba3Y2F12 / P4/mbm (127) Phonon band structure, phonon DOS, thermal properties at constant volume, and ph...
Keyword:
Ba3Y2F12
,
P4/mbm (127)
, and
Phonon
Resource Type:
Dataset
Data origin:
simulation
Author:
Atsushi Togo
Date Uploaded:
22/05/2023
5023.
Ab-initio phonon calculation for BPO4 / P3_121 (152) / materials id 11653
Description/Abstract:
Ab-initio phonon calculation for BPO4 / P3_121 (152) Phonon band structure, phonon DOS, thermal properties at constant volume, and phonon...
Keyword:
BPO4
,
P3_121 (152)
, and
Phonon
Resource Type:
Dataset
Data origin:
simulation
Author:
Atsushi Togo
Date Uploaded:
22/05/2023
5024.
Ab-initio phonon calculation for La3Si2S8I / C2/c (15) / materials id 23090
Description/Abstract:
Ab-initio phonon calculation for La3Si2S8I / C2/c (15) Phonon band structure, phonon DOS, thermal properties at constant volume, and phon...
Keyword:
C2/c (15)
,
La3Si2S8I
, and
Phonon
Resource Type:
Dataset
Data origin:
simulation
Author:
Atsushi Togo
Date Uploaded:
22/05/2023
5025.
Ab-initio phonon calculation for Rb2CdO2 / Pbcn (60) / materials id 28364
Description/Abstract:
Ab-initio phonon calculation for Rb2CdO2 / Pbcn (60) Phonon band structure, phonon DOS, thermal properties at constant volume, and phonon...
Keyword:
Pbcn (60)
,
Phonon
, and
Rb2CdO2
Resource Type:
Dataset
Data origin:
simulation
Author:
Atsushi Togo
Date Uploaded:
22/05/2023
5026.
Ab-initio phonon calculation for MgTe2O5 / Pbcn (60) / materials id 5746
Description/Abstract:
Ab-initio phonon calculation for MgTe2O5 / Pbcn (60) Phonon band structure, phonon DOS, thermal properties at constant volume, and phonon...
Keyword:
MgTe2O5
,
Pbcn (60)
, and
Phonon
Resource Type:
Dataset
Data origin:
simulation
Author:
Atsushi Togo
Date Uploaded:
22/05/2023
5027.
Ab-initio phonon calculation for Zr4Cd(PO4)6 / R-3 (148) / materials id 541299
Description/Abstract:
Ab-initio phonon calculation for Zr4Cd(PO4)6 / R-3 (148) Phonon band structure, phonon DOS, thermal properties at constant volume, and ph...
Keyword:
Phonon
,
R-3 (148)
, and
Zr4Cd(PO4)6
Resource Type:
Dataset
Data origin:
simulation
Author:
Atsushi Togo
Date Uploaded:
22/05/2023
5028.
Ab-initio phonon calculation for Li8SeN2 / I4_1md (109) / materials id 973793
Description/Abstract:
Ab-initio phonon calculation for Li8SeN2 / I4_1md (109) Phonon band structure, phonon DOS, thermal properties at constant volume, and pho...
Keyword:
I4_1md (109)
,
Li8SeN2
, and
Phonon
Resource Type:
Dataset
Data origin:
simulation
Author:
Atsushi Togo
Date Uploaded:
22/05/2023
5029.
Ab-initio phonon calculation for Al2P3(HO3)3 / P6_3/m (176) / materials id 23995
Description/Abstract:
Ab-initio phonon calculation for Al2P3(HO3)3 / P6_3/m (176) Phonon band structure, phonon DOS, thermal properties at constant volume, and...
Keyword:
Al2P3(HO3)3
,
P6_3/m (176)
, and
Phonon
Resource Type:
Dataset
Data origin:
simulation
Author:
Atsushi Togo
Date Uploaded:
22/05/2023
5030.
Ab-initio phonon calculation for HfF4 / C2/c (15) / materials id 31033
Description/Abstract:
Ab-initio phonon calculation for HfF4 / C2/c (15) Phonon band structure, phonon DOS, thermal properties at constant volume, and phonon ra...
Keyword:
C2/c (15)
,
HfF4
, and
Phonon
Resource Type:
Dataset
Data origin:
simulation
Author:
Atsushi Togo
Date Uploaded:
22/05/2023
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10,034
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MDR phonon calculation database
10,034
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10,034
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Atsushi Togo
10,034
Hiori Kino
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10,034
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PHYSICAL REVIEW B
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Science and Technology of Advanced Materials: Methods
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