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Ab-initio phonon calculation for NaP4N7 / C2/c (15) / materials id 29598
Description/Abstract:
Ab-initio phonon calculation for NaP4N7 / C2/c (15) Phonon band structure, phonon DOS, thermal properties at constant volume, and phonon ...
Keyword:
C2/c (15)
,
NaP4N7
, and
Phonon
Resource Type:
Dataset
Data origin:
simulation
Author:
Atsushi Togo
Date Uploaded:
26/05/2023
Ab-initio phonon calculation for La10Se19 / P4_2/n (86) / materials id 8866
Description/Abstract:
Ab-initio phonon calculation for La10Se19 / P4_2/n (86) Phonon band structure, phonon DOS, thermal properties at constant volume, and pho...
Keyword:
La10Se19
,
P4_2/n (86)
, and
Phonon
Resource Type:
Dataset
Data origin:
simulation
Author:
Atsushi Togo
Date Uploaded:
26/05/2023
Ab-initio phonon calculation for ZnS / P3m1 (156) / materials id 556784
Description/Abstract:
Ab-initio phonon calculation for ZnS / P3m1 (156) Phonon band structure, phonon DOS, thermal properties at constant volume, and phonon ra...
Keyword:
P3m1 (156)
,
Phonon
, and
ZnS
Resource Type:
Dataset
Data origin:
simulation
Author:
Atsushi Togo
Date Uploaded:
26/05/2023
Ab-initio phonon calculation for As2PbS4 / Pnma (62) / materials id 19941
Description/Abstract:
Ab-initio phonon calculation for As2PbS4 / Pnma (62) Phonon band structure, phonon DOS, thermal properties at constant volume, and phonon...
Keyword:
As2PbS4
,
Phonon
, and
Pnma (62)
Resource Type:
Dataset
Data origin:
simulation
Author:
Atsushi Togo
Date Uploaded:
26/05/2023
Ab-initio phonon calculation for LiPPbO4 / Pna2_1 (33) / materials id 22694
Description/Abstract:
Ab-initio phonon calculation for LiPPbO4 / Pna2_1 (33) Phonon band structure, phonon DOS, thermal properties at constant volume, and phon...
Keyword:
LiPPbO4
,
Phonon
, and
Pna2_1 (33)
Resource Type:
Dataset
Data origin:
simulation
Author:
Atsushi Togo
Date Uploaded:
26/05/2023
Ab-initio phonon calculation for Cs3Bi2Br9 / C2/c (15) / materials id 680674
Description/Abstract:
Ab-initio phonon calculation for Cs3Bi2Br9 / C2/c (15) Phonon band structure, phonon DOS, thermal properties at constant volume, and phon...
Keyword:
C2/c (15)
,
Cs3Bi2Br9
, and
Phonon
Resource Type:
Dataset
Data origin:
simulation
Author:
Atsushi Togo
Date Uploaded:
26/05/2023
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 BrF3 / Cmc2_1 (36) / materials id 23297
Description/Abstract:
Ab-initio phonon calculation for BrF3 / Cmc2_1 (36) Phonon band structure, phonon DOS, thermal properties at constant volume, and phonon ...
Keyword:
BrF3
,
Cmc2_1 (36)
, and
Phonon
Resource Type:
Dataset
Data origin:
simulation
Author:
Atsushi Togo
Date Uploaded:
26/05/2023
Ab-initio phonon calculation for HfSnS3 / Pnma (62) / materials id 8725
Description/Abstract:
Ab-initio phonon calculation for HfSnS3 / Pnma (62) Phonon band structure, phonon DOS, thermal properties at constant volume, and phonon ...
Keyword:
HfSnS3
,
Phonon
, and
Pnma (62)
Resource Type:
Dataset
Data origin:
simulation
Author:
Atsushi Togo
Date Uploaded:
26/05/2023
Ab-initio phonon calculation for K2YNb5O15 / Cmmm (65) / materials id 558325
Description/Abstract:
Ab-initio phonon calculation for K2YNb5O15 / Cmmm (65) Phonon band structure, phonon DOS, thermal properties at constant volume, and phon...
Keyword:
Cmmm (65)
,
K2YNb5O15
, and
Phonon
Resource Type:
Dataset
Data origin:
simulation
Author:
Atsushi Togo
Date Uploaded:
26/05/2023
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10,020
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MDR phonon calculation database
194
The history of DICE and NIMS Digital Library
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Creative Commons BY Attribution 4.0 International
10,021
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informatics and data science
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spectroscopy -- x-ray photoelectron spectroscopy
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Atsushi Togo
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SUMIYA, Masatomo
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Akira Suzuki
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MATSUDA, Asahiko
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10,015
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spglib
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