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Ab-initio phonon calculation for XeF3 / P2_1/c (14) / materials id 561153
Description/Abstract:
Ab-initio phonon calculation for XeF3 / P2_1/c (14) Phonon band structure, phonon DOS, thermal properties at constant volume, and phonon ...
Keyword:
P2_1/c (14)
,
Phonon
, and
XeF3
Resource Type:
Dataset
Data origin:
simulation
Author:
Atsushi Togo
Date Uploaded:
15/05/2023
Ab-initio phonon calculation for SrPSe3 / P2_1/c (14) / materials id 7198
Description/Abstract:
Ab-initio phonon calculation for SrPSe3 / P2_1/c (14) Phonon band structure, phonon DOS, thermal properties at constant volume, and phono...
Keyword:
P2_1/c (14)
,
Phonon
, and
SrPSe3
Resource Type:
Dataset
Data origin:
simulation
Author:
Atsushi Togo
Date Uploaded:
15/05/2023
Ab-initio phonon calculation for MgTi2(PO5)2 / P2_1/c (14) / materials id 561065
Description/Abstract:
Ab-initio phonon calculation for MgTi2(PO5)2 / P2_1/c (14) Phonon band structure, phonon DOS, thermal properties at constant volume, and ...
Keyword:
MgTi2(PO5)2
,
P2_1/c (14)
, and
Phonon
Resource Type:
Dataset
Data origin:
simulation
Author:
Atsushi Togo
Date Uploaded:
15/05/2023
Ab-initio phonon calculation for La(BO2)3 / P2_1/c (14) / materials id 561154
Description/Abstract:
Ab-initio phonon calculation for La(BO2)3 / P2_1/c (14) Phonon band structure, phonon DOS, thermal properties at constant volume, and pho...
Keyword:
La(BO2)3
,
P2_1/c (14)
, and
Phonon
Resource Type:
Dataset
Data origin:
simulation
Author:
Atsushi Togo
Date Uploaded:
15/05/2023
Ab-initio phonon calculation for K2CuSbS3 / P2_1/c (14) / materials id 554343
Description/Abstract:
Ab-initio phonon calculation for K2CuSbS3 / P2_1/c (14) Phonon band structure, phonon DOS, thermal properties at constant volume, and pho...
Keyword:
K2CuSbS3
,
P2_1/c (14)
, and
Phonon
Resource Type:
Dataset
Data origin:
simulation
Author:
Atsushi Togo
Date Uploaded:
15/05/2023
Ab-initio phonon calculation for NaLi2BO3 / P2_1/c (14) / materials id 560189
Description/Abstract:
Ab-initio phonon calculation for NaLi2BO3 / P2_1/c (14) Phonon band structure, phonon DOS, thermal properties at constant volume, and pho...
Keyword:
NaLi2BO3
,
P2_1/c (14)
, and
Phonon
Resource Type:
Dataset
Data origin:
simulation
Author:
Atsushi Togo
Date Uploaded:
15/05/2023
Ab-initio phonon calculation for Ba(SbS2)2 / P2_1/c (14) / materials id 28129
Description/Abstract:
Ab-initio phonon calculation for Ba(SbS2)2 / P2_1/c (14) Phonon band structure, phonon DOS, thermal properties at constant volume, and ph...
Keyword:
Ba(SbS2)2
,
P2_1/c (14)
, and
Phonon
Resource Type:
Dataset
Data origin:
simulation
Author:
Atsushi Togo
Date Uploaded:
15/05/2023
Ab-initio phonon calculation for NdAg(PO3)4 / P2_1/c (14) / materials id 541041
Description/Abstract:
Ab-initio phonon calculation for NdAg(PO3)4 / P2_1/c (14) Phonon band structure, phonon DOS, thermal properties at constant volume, and p...
Keyword:
NdAg(PO3)4
,
P2_1/c (14)
, and
Phonon
Resource Type:
Dataset
Data origin:
simulation
Author:
Atsushi Togo
Date Uploaded:
15/05/2023
Ab-initio phonon calculation for K2Mg2O3 / P2_1/c (14) / materials id 753662
Description/Abstract:
Ab-initio phonon calculation for K2Mg2O3 / P2_1/c (14) Phonon band structure, phonon DOS, thermal properties at constant volume, and phon...
Keyword:
K2Mg2O3
,
P2_1/c (14)
, and
Phonon
Resource Type:
Dataset
Data origin:
simulation
Author:
Atsushi Togo
Date Uploaded:
15/05/2023
Ab-initio phonon calculation for Cs2U(Br2O)2 / P2_1/c (14) / materials id 572551
Description/Abstract:
Ab-initio phonon calculation for Cs2U(Br2O)2 / P2_1/c (14) Phonon band structure, phonon DOS, thermal properties at constant volume, and ...
Keyword:
Cs2U(Br2O)2
,
P2_1/c (14)
, and
Phonon
Resource Type:
Dataset
Data origin:
simulation
Author:
Atsushi Togo
Date Uploaded:
15/05/2023
Ab-initio phonon calculation for Cd2AsCl2 / P2_1/c (14) / materials id 27776
Description/Abstract:
Ab-initio phonon calculation for Cd2AsCl2 / P2_1/c (14) Phonon band structure, phonon DOS, thermal properties at constant volume, and pho...
Keyword:
Cd2AsCl2
,
P2_1/c (14)
, and
Phonon
Resource Type:
Dataset
Data origin:
simulation
Author:
Atsushi Togo
Date Uploaded:
15/05/2023
Ab-initio phonon calculation for Sr2LiIn(B2O5)2 / P2_1/c (14) / materials id 14854
Description/Abstract:
Ab-initio phonon calculation for Sr2LiIn(B2O5)2 / P2_1/c (14) Phonon band structure, phonon DOS, thermal properties at constant volume, a...
Keyword:
P2_1/c (14)
,
Phonon
, and
Sr2LiIn(B2O5)2
Resource Type:
Dataset
Data origin:
simulation
Author:
Atsushi Togo
Date Uploaded:
15/05/2023
Ab-initio phonon calculation for Tl4SnS4 / P2_1/c (14) / materials id 5818
Description/Abstract:
Ab-initio phonon calculation for Tl4SnS4 / P2_1/c (14) Phonon band structure, phonon DOS, thermal properties at constant volume, and phon...
Keyword:
P2_1/c (14)
,
Phonon
, and
Tl4SnS4
Resource Type:
Dataset
Data origin:
simulation
Author:
Atsushi Togo
Date Uploaded:
15/05/2023
Ab-initio phonon calculation for Ag5BiO4 / P2_1/c (14) / materials id 28812
Description/Abstract:
Ab-initio phonon calculation for Ag5BiO4 / P2_1/c (14) Phonon band structure, phonon DOS, thermal properties at constant volume, and phon...
Keyword:
Ag5BiO4
,
P2_1/c (14)
, and
Phonon
Resource Type:
Dataset
Data origin:
simulation
Author:
Atsushi Togo
Date Uploaded:
15/05/2023
Ab-initio phonon calculation for Ba2Si3O8 / P2_1/c (14) / materials id 29222
Description/Abstract:
Ab-initio phonon calculation for Ba2Si3O8 / P2_1/c (14) Phonon band structure, phonon DOS, thermal properties at constant volume, and pho...
Keyword:
Ba2Si3O8
,
P2_1/c (14)
, and
Phonon
Resource Type:
Dataset
Data origin:
simulation
Author:
Atsushi Togo
Date Uploaded:
15/05/2023
Ab-initio phonon calculation for ZrB2O5 / P2_1/c (14) / materials id 559571
Description/Abstract:
Ab-initio phonon calculation for ZrB2O5 / P2_1/c (14) Phonon band structure, phonon DOS, thermal properties at constant volume, and phono...
Keyword:
P2_1/c (14)
,
Phonon
, and
ZrB2O5
Resource Type:
Dataset
Data origin:
simulation
Author:
Atsushi Togo
Date Uploaded:
15/05/2023
Ab-initio phonon calculation for Mg2B2O5 / P2_1/c (14) / materials id 560772
Description/Abstract:
Ab-initio phonon calculation for Mg2B2O5 / P2_1/c (14) Phonon band structure, phonon DOS, thermal properties at constant volume, and phon...
Keyword:
Mg2B2O5
,
P2_1/c (14)
, and
Phonon
Resource Type:
Dataset
Data origin:
simulation
Author:
Atsushi Togo
Date Uploaded:
15/05/2023
Ab-initio phonon calculation for K6Si2O7 / P2_1/c (14) / materials id 30990
Description/Abstract:
Ab-initio phonon calculation for K6Si2O7 / P2_1/c (14) Phonon band structure, phonon DOS, thermal properties at constant volume, and phon...
Keyword:
K6Si2O7
,
P2_1/c (14)
, and
Phonon
Resource Type:
Dataset
Data origin:
simulation
Author:
Atsushi Togo
Date Uploaded:
15/05/2023
Ab-initio phonon calculation for Er2GeO5 / P2_1/c (14) / materials id 773910
Description/Abstract:
Ab-initio phonon calculation for Er2GeO5 / P2_1/c (14) Phonon band structure, phonon DOS, thermal properties at constant volume, and phon...
Keyword:
Er2GeO5
,
P2_1/c (14)
, and
Phonon
Resource Type:
Dataset
Data origin:
simulation
Author:
Atsushi Togo
Date Uploaded:
15/05/2023
Ab-initio phonon calculation for BaPSe3 / P2_1/c (14) / materials id 11008
Description/Abstract:
Ab-initio phonon calculation for BaPSe3 / P2_1/c (14) Phonon band structure, phonon DOS, thermal properties at constant volume, and phono...
Keyword:
BaPSe3
,
P2_1/c (14)
, and
Phonon
Resource Type:
Dataset
Data origin:
simulation
Author:
Atsushi Togo
Date Uploaded:
15/05/2023
Ab-initio phonon calculation for NaBi(PO3)4 / P2_1/c (14) / materials id 23621
Description/Abstract:
Ab-initio phonon calculation for NaBi(PO3)4 / P2_1/c (14) Phonon band structure, phonon DOS, thermal properties at constant volume, and p...
Keyword:
NaBi(PO3)4
,
P2_1/c (14)
, and
Phonon
Resource Type:
Dataset
Data origin:
simulation
Author:
Atsushi Togo
Date Uploaded:
15/05/2023
Ab-initio phonon calculation for RbErSeCl2O3 / P2_1/c (14) / materials id 557019
Description/Abstract:
Ab-initio phonon calculation for RbErSeCl2O3 / P2_1/c (14) Phonon band structure, phonon DOS, thermal properties at constant volume, and ...
Keyword:
P2_1/c (14)
,
Phonon
, and
RbErSeCl2O3
Resource Type:
Dataset
Data origin:
simulation
Author:
Atsushi Togo
Date Uploaded:
15/05/2023
Ab-initio phonon calculation for Rb2NaZn2H5(C2O7)2 / P2_1/c (14) / materials id 766230
Description/Abstract:
Ab-initio phonon calculation for Rb2NaZn2H5(C2O7)2 / P2_1/c (14) Phonon band structure, phonon DOS, thermal properties at constant volume...
Keyword:
P2_1/c (14)
,
Phonon
, and
Rb2NaZn2H5(C2O7)2
Resource Type:
Dataset
Data origin:
simulation
Author:
Atsushi Togo
Date Uploaded:
15/05/2023
Ab-initio phonon calculation for KGaP2O7 / P2_1/c (14) / materials id 18348
Description/Abstract:
Ab-initio phonon calculation for KGaP2O7 / P2_1/c (14) Phonon band structure, phonon DOS, thermal properties at constant volume, and phon...
Keyword:
KGaP2O7
,
P2_1/c (14)
, and
Phonon
Resource Type:
Dataset
Data origin:
simulation
Author:
Atsushi Togo
Date Uploaded:
15/05/2023
Ab-initio phonon calculation for Ca3Si2O7 / P2_1/c (14) / materials id 3932
Description/Abstract:
Ab-initio phonon calculation for Ca3Si2O7 / P2_1/c (14) Phonon band structure, phonon DOS, thermal properties at constant volume, and pho...
Keyword:
Ca3Si2O7
,
P2_1/c (14)
, and
Phonon
Resource Type:
Dataset
Data origin:
simulation
Author:
Atsushi Togo
Date Uploaded:
15/05/2023
Ab-initio phonon calculation for KSnS4 / P2_1/c (14) / materials id 541379
Description/Abstract:
Ab-initio phonon calculation for KSnS4 / P2_1/c (14) Phonon band structure, phonon DOS, thermal properties at constant volume, and phonon...
Keyword:
KSnS4
,
P2_1/c (14)
, and
Phonon
Resource Type:
Dataset
Data origin:
simulation
Author:
Atsushi Togo
Date Uploaded:
15/05/2023
Ab-initio phonon calculation for RbNd(PO3)4 / P2_1/c (14) / materials id 540611
Description/Abstract:
Ab-initio phonon calculation for RbNd(PO3)4 / P2_1/c (14) Phonon band structure, phonon DOS, thermal properties at constant volume, and p...
Keyword:
P2_1/c (14)
,
Phonon
, and
RbNd(PO3)4
Resource Type:
Dataset
Data origin:
simulation
Author:
Atsushi Togo
Date Uploaded:
15/05/2023
Ab-initio phonon calculation for SmSbO4 / P2_1/c (14) / materials id 13196
Description/Abstract:
Ab-initio phonon calculation for SmSbO4 / P2_1/c (14) Phonon band structure, phonon DOS, thermal properties at constant volume, and phono...
Keyword:
P2_1/c (14)
,
Phonon
, and
SmSbO4
Resource Type:
Dataset
Data origin:
simulation
Author:
Atsushi Togo
Date Uploaded:
15/05/2023
Ab-initio phonon calculation for Rb2ZnO2 / P2_1/c (14) / materials id 555977
Description/Abstract:
Ab-initio phonon calculation for Rb2ZnO2 / P2_1/c (14) Phonon band structure, phonon DOS, thermal properties at constant volume, and phon...
Keyword:
P2_1/c (14)
,
Phonon
, and
Rb2ZnO2
Resource Type:
Dataset
Data origin:
simulation
Author:
Atsushi Togo
Date Uploaded:
15/05/2023
Ab-initio phonon calculation for HfZrO4 / P2_1/c (14) / materials id 754134
Description/Abstract:
Ab-initio phonon calculation for HfZrO4 / P2_1/c (14) Phonon band structure, phonon DOS, thermal properties at constant volume, and phono...
Keyword:
HfZrO4
,
P2_1/c (14)
, and
Phonon
Resource Type:
Dataset
Data origin:
simulation
Author:
Atsushi Togo
Date Uploaded:
15/05/2023
Ab-initio phonon calculation for Na2Ga2As3 / P2_1/c (14) / materials id 15431
Description/Abstract:
Ab-initio phonon calculation for Na2Ga2As3 / P2_1/c (14) Phonon band structure, phonon DOS, thermal properties at constant volume, and ph...
Keyword:
Na2Ga2As3
,
P2_1/c (14)
, and
Phonon
Resource Type:
Dataset
Data origin:
simulation
Author:
Atsushi Togo
Date Uploaded:
15/05/2023
Ab-initio phonon calculation for CdB2XeF10 / P2_1/c (14) / materials id 559282
Description/Abstract:
Ab-initio phonon calculation for CdB2XeF10 / P2_1/c (14) Phonon band structure, phonon DOS, thermal properties at constant volume, and ph...
Keyword:
CdB2XeF10
,
P2_1/c (14)
, and
Phonon
Resource Type:
Dataset
Data origin:
simulation
Author:
Atsushi Togo
Date Uploaded:
15/05/2023
Ab-initio phonon calculation for Ag2HgS2 / P2_1/c (14) / materials id 9635
Description/Abstract:
Ab-initio phonon calculation for Ag2HgS2 / P2_1/c (14) Phonon band structure, phonon DOS, thermal properties at constant volume, and phon...
Keyword:
Ag2HgS2
,
P2_1/c (14)
, and
Phonon
Resource Type:
Dataset
Data origin:
simulation
Author:
Atsushi Togo
Date Uploaded:
15/05/2023
Ab-initio phonon calculation for Ag2PS3 / P2_1/c (14) / materials id 558469
Description/Abstract:
Ab-initio phonon calculation for Ag2PS3 / P2_1/c (14) Phonon band structure, phonon DOS, thermal properties at constant volume, and phono...
Keyword:
Ag2PS3
,
P2_1/c (14)
, and
Phonon
Resource Type:
Dataset
Data origin:
simulation
Author:
Atsushi Togo
Date Uploaded:
15/05/2023
Ab-initio phonon calculation for CaAl2O4 / P2_1/c (14) / materials id 2963
Description/Abstract:
Ab-initio phonon calculation for CaAl2O4 / P2_1/c (14) Phonon band structure, phonon DOS, thermal properties at constant volume, and phon...
Keyword:
CaAl2O4
,
P2_1/c (14)
, and
Phonon
Resource Type:
Dataset
Data origin:
simulation
Author:
Atsushi Togo
Date Uploaded:
15/05/2023
Ab-initio phonon calculation for Sm2SiTeO4 / P2_1/c (14) / materials id 17812
Description/Abstract:
Ab-initio phonon calculation for Sm2SiTeO4 / P2_1/c (14) Phonon band structure, phonon DOS, thermal properties at constant volume, and ph...
Keyword:
P2_1/c (14)
,
Phonon
, and
Sm2SiTeO4
Resource Type:
Dataset
Data origin:
simulation
Author:
Atsushi Togo
Date Uploaded:
15/05/2023
Ab-initio phonon calculation for CaPH3O4 / P2_1/c (14) / materials id 24170
Description/Abstract:
Ab-initio phonon calculation for CaPH3O4 / P2_1/c (14) Phonon band structure, phonon DOS, thermal properties at constant volume, and phon...
Keyword:
CaPH3O4
,
P2_1/c (14)
, and
Phonon
Resource Type:
Dataset
Data origin:
simulation
Author:
Atsushi Togo
Date Uploaded:
15/05/2023
Ab-initio phonon calculation for Na3HoCl6 / P2_1/c (14) / materials id 29836
Description/Abstract:
Ab-initio phonon calculation for Na3HoCl6 / P2_1/c (14) Phonon band structure, phonon DOS, thermal properties at constant volume, and pho...
Keyword:
Na3HoCl6
,
P2_1/c (14)
, and
Phonon
Resource Type:
Dataset
Data origin:
simulation
Author:
Atsushi Togo
Date Uploaded:
15/05/2023
Ab-initio phonon calculation for Na8Ga2O7 / P2_1/c (14) / materials id 27618
Description/Abstract:
Ab-initio phonon calculation for Na8Ga2O7 / P2_1/c (14) Phonon band structure, phonon DOS, thermal properties at constant volume, and pho...
Keyword:
Na8Ga2O7
,
P2_1/c (14)
, and
Phonon
Resource Type:
Dataset
Data origin:
simulation
Author:
Atsushi Togo
Date Uploaded:
15/05/2023
Ab-initio phonon calculation for Rb3Er3(PS4)4 / P2_1/c (14) / materials id 583084
Description/Abstract:
Ab-initio phonon calculation for Rb3Er3(PS4)4 / P2_1/c (14) Phonon band structure, phonon DOS, thermal properties at constant volume, and...
Keyword:
P2_1/c (14)
,
Phonon
, and
Rb3Er3(PS4)4
Resource Type:
Dataset
Data origin:
simulation
Author:
Atsushi Togo
Date Uploaded:
15/05/2023
Ab-initio phonon calculation for Na2BeO2 / P2_1/c (14) / materials id 28588
Description/Abstract:
Ab-initio phonon calculation for Na2BeO2 / P2_1/c (14) Phonon band structure, phonon DOS, thermal properties at constant volume, and phon...
Keyword:
Na2BeO2
,
P2_1/c (14)
, and
Phonon
Resource Type:
Dataset
Data origin:
simulation
Author:
Atsushi Togo
Date Uploaded:
15/05/2023
Ab-initio phonon calculation for NaAuSe2 / P2_1/c (14) / materials id 29139
Description/Abstract:
Ab-initio phonon calculation for NaAuSe2 / P2_1/c (14) Phonon band structure, phonon DOS, thermal properties at constant volume, and phon...
Keyword:
NaAuSe2
,
P2_1/c (14)
, and
Phonon
Resource Type:
Dataset
Data origin:
simulation
Author:
Atsushi Togo
Date Uploaded:
15/05/2023
Ab-initio phonon calculation for K3La(PS4)2 / P2_1/c (14) / materials id 16209
Description/Abstract:
Ab-initio phonon calculation for K3La(PS4)2 / P2_1/c (14) Phonon band structure, phonon DOS, thermal properties at constant volume, and p...
Keyword:
K3La(PS4)2
,
P2_1/c (14)
, and
Phonon
Resource Type:
Dataset
Data origin:
simulation
Author:
Atsushi Togo
Date Uploaded:
15/05/2023
Ab-initio phonon calculation for CuP2 / P2_1/c (14) / materials id 927
Description/Abstract:
Ab-initio phonon calculation for CuP2 / P2_1/c (14) Phonon band structure, phonon DOS, thermal properties at constant volume, and phonon ...
Keyword:
CuP2
,
P2_1/c (14)
, and
Phonon
Resource Type:
Dataset
Data origin:
simulation
Author:
Atsushi Togo
Date Uploaded:
15/05/2023
Ab-initio phonon calculation for Ba2SrI6 / P2_1/c (14) / materials id 768735
Description/Abstract:
Ab-initio phonon calculation for Ba2SrI6 / P2_1/c (14) Phonon band structure, phonon DOS, thermal properties at constant volume, and phon...
Keyword:
Ba2SrI6
,
P2_1/c (14)
, and
Phonon
Resource Type:
Dataset
Data origin:
simulation
Author:
Atsushi Togo
Date Uploaded:
15/05/2023
Ab-initio phonon calculation for SrTh2Se5 / P2_1/c (14) / materials id 17282
Description/Abstract:
Ab-initio phonon calculation for SrTh2Se5 / P2_1/c (14) Phonon band structure, phonon DOS, thermal properties at constant volume, and pho...
Keyword:
P2_1/c (14)
,
Phonon
, and
SrTh2Se5
Resource Type:
Dataset
Data origin:
simulation
Author:
Atsushi Togo
Date Uploaded:
15/05/2023
Ab-initio phonon calculation for K3La(PSe4)2 / P2_1/c (14) / materials id 542079
Description/Abstract:
Ab-initio phonon calculation for K3La(PSe4)2 / P2_1/c (14) Phonon band structure, phonon DOS, thermal properties at constant volume, and ...
Keyword:
K3La(PSe4)2
,
P2_1/c (14)
, and
Phonon
Resource Type:
Dataset
Data origin:
simulation
Author:
Atsushi Togo
Date Uploaded:
15/05/2023
Ab-initio phonon calculation for Hg7(P2Br3)2 / P2_1/c (14) / materials id 541403
Description/Abstract:
Ab-initio phonon calculation for Hg7(P2Br3)2 / P2_1/c (14) Phonon band structure, phonon DOS, thermal properties at constant volume, and ...
Keyword:
Hg7(P2Br3)2
,
P2_1/c (14)
, and
Phonon
Resource Type:
Dataset
Data origin:
simulation
Author:
Atsushi Togo
Date Uploaded:
15/05/2023
Ab-initio phonon calculation for PrSClO4 / P2_1/c (14) / materials id 555237
Description/Abstract:
Ab-initio phonon calculation for PrSClO4 / P2_1/c (14) Phonon band structure, phonon DOS, thermal properties at constant volume, and phon...
Keyword:
P2_1/c (14)
,
Phonon
, and
PrSClO4
Resource Type:
Dataset
Data origin:
simulation
Author:
Atsushi Togo
Date Uploaded:
15/05/2023
Ab-initio phonon calculation for Ca3HfSi2O9 / P2_1/c (14) / materials id 15003
Description/Abstract:
Ab-initio phonon calculation for Ca3HfSi2O9 / P2_1/c (14) Phonon band structure, phonon DOS, thermal properties at constant volume, and p...
Keyword:
Ca3HfSi2O9
,
P2_1/c (14)
, and
Phonon
Resource Type:
Dataset
Data origin:
simulation
Author:
Atsushi Togo
Date Uploaded:
15/05/2023
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Type of work
Dataset
1,072
Collection
MDR phonon calculation database
1,072
Keyword
P2_1/c (14)
[remove]
1,072
Phonon
1,072
Al(HO)3
4
Ba(HO)2
4
Ba2CaI6
4
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Keywords
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Publisher
NIMS
1,072
Resource type
Dataset
1,072
Visibility
open
1,072
Rights Statement Sim
Creative Commons BY Attribution 4.0 International
1,072
Data origin
simulation
1,072
Author
Atsushi Togo
1,072
Funder
MEXT
1,072
Software
VASP
1,072
phonopy
1,072
spglib
1,072