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201.
Ab-initio phonon calculation for ThNF / R-3m (166) / materials id 8226
Description/Abstract:
Ab-initio phonon calculation for ThNF / R-3m (166) Phonon band structure, phonon DOS, thermal properties at constant volume, and phonon r...
Keyword:
Phonon
,
R-3m (166)
, and
ThNF
Resource Type:
Dataset
Data origin:
simulation
Author:
Atsushi Togo
Date Uploaded:
18/05/2023
202.
Ab-initio phonon calculation for TlBiS2 / R-3m (166) / materials id 554310
Description/Abstract:
Ab-initio phonon calculation for TlBiS2 / R-3m (166) Phonon band structure, phonon DOS, thermal properties at constant volume, and phonon...
Keyword:
Phonon
,
R-3m (166)
, and
TlBiS2
Resource Type:
Dataset
Data origin:
simulation
Author:
Atsushi Togo
Date Uploaded:
17/05/2023
203.
Ab-initio phonon calculation for PrBrO / R-3m (166) / materials id 756702
Description/Abstract:
Ab-initio phonon calculation for PrBrO / R-3m (166) Phonon band structure, phonon DOS, thermal properties at constant volume, and phonon ...
Keyword:
Phonon
,
PrBrO
, and
R-3m (166)
Resource Type:
Dataset
Data origin:
simulation
Author:
Atsushi Togo
Date Uploaded:
17/05/2023
204.
Ab-initio phonon calculation for K3Ag3As2 / R-3m (166) / materials id 14206
Description/Abstract:
Ab-initio phonon calculation for K3Ag3As2 / R-3m (166) Phonon band structure, phonon DOS, thermal properties at constant volume, and phon...
Keyword:
K3Ag3As2
,
Phonon
, and
R-3m (166)
Resource Type:
Dataset
Data origin:
simulation
Author:
Atsushi Togo
Date Uploaded:
17/05/2023
205.
Ab-initio phonon calculation for TlSbF6 / R-3m (166) / materials id 8348
Description/Abstract:
Ab-initio phonon calculation for TlSbF6 / R-3m (166) Phonon band structure, phonon DOS, thermal properties at constant volume, and phonon...
Keyword:
Phonon
,
R-3m (166)
, and
TlSbF6
Resource Type:
Dataset
Data origin:
simulation
Author:
Atsushi Togo
Date Uploaded:
17/05/2023
206.
Ab-initio phonon calculation for KTlO2 / R-3m (166) / materials id 8175
Description/Abstract:
Ab-initio phonon calculation for KTlO2 / R-3m (166) Phonon band structure, phonon DOS, thermal properties at constant volume, and phonon ...
Keyword:
KTlO2
,
Phonon
, and
R-3m (166)
Resource Type:
Dataset
Data origin:
simulation
Author:
Atsushi Togo
Date Uploaded:
17/05/2023
207.
Ab-initio phonon calculation for CdI2 / R-3m (166) / materials id 568289
Description/Abstract:
Ab-initio phonon calculation for CdI2 / R-3m (166) Phonon band structure, phonon DOS, thermal properties at constant volume, and phonon r...
Keyword:
CdI2
,
Phonon
, and
R-3m (166)
Resource Type:
Dataset
Data origin:
simulation
Author:
Atsushi Togo
Date Uploaded:
17/05/2023
208.
Ab-initio phonon calculation for KLaO2 / R-3m (166) / materials id 7958
Description/Abstract:
Ab-initio phonon calculation for KLaO2 / R-3m (166) Phonon band structure, phonon DOS, thermal properties at constant volume, and phonon ...
Keyword:
KLaO2
,
Phonon
, and
R-3m (166)
Resource Type:
Dataset
Data origin:
simulation
Author:
Atsushi Togo
Date Uploaded:
17/05/2023
209.
Ab-initio phonon calculation for ScF3 / R-3m (166) / materials id 559092
Description/Abstract:
Ab-initio phonon calculation for ScF3 / R-3m (166) Phonon band structure, phonon DOS, thermal properties at constant volume, and phonon r...
Keyword:
Phonon
,
R-3m (166)
, and
ScF3
Resource Type:
Dataset
Data origin:
simulation
Author:
Atsushi Togo
Date Uploaded:
17/05/2023
210.
Ab-initio phonon calculation for SrCN2 / R-3m (166) / materials id 12317
Description/Abstract:
Ab-initio phonon calculation for SrCN2 / R-3m (166) Phonon band structure, phonon DOS, thermal properties at constant volume, and phonon ...
Keyword:
Phonon
,
R-3m (166)
, and
SrCN2
Resource Type:
Dataset
Data origin:
simulation
Author:
Atsushi Togo
Date Uploaded:
17/05/2023
211.
Ab-initio phonon calculation for NdCuO2 / R-3m (166) / materials id 4886
Description/Abstract:
Ab-initio phonon calculation for NdCuO2 / R-3m (166) Phonon band structure, phonon DOS, thermal properties at constant volume, and phonon...
Keyword:
NdCuO2
,
Phonon
, and
R-3m (166)
Resource Type:
Dataset
Data origin:
simulation
Author:
Atsushi Togo
Date Uploaded:
17/05/2023
212.
Ab-initio phonon calculation for Sn(BiTe2)2 / R-3m (166) / materials id 38605
Description/Abstract:
Ab-initio phonon calculation for Sn(BiTe2)2 / R-3m (166) Phonon band structure, phonon DOS, thermal properties at constant volume, and ph...
Keyword:
Phonon
,
R-3m (166)
, and
Sn(BiTe2)2
Resource Type:
Dataset
Data origin:
simulation
Author:
Atsushi Togo
Date Uploaded:
17/05/2023
213.
Ab-initio phonon calculation for K3Cu3P2 / R-3m (166) / materials id 7439
Description/Abstract:
Ab-initio phonon calculation for K3Cu3P2 / R-3m (166) Phonon band structure, phonon DOS, thermal properties at constant volume, and phono...
Keyword:
K3Cu3P2
,
Phonon
, and
R-3m (166)
Resource Type:
Dataset
Data origin:
simulation
Author:
Atsushi Togo
Date Uploaded:
17/05/2023
214.
Ab-initio phonon calculation for CdCN2 / R-3m (166) / materials id 10969
Description/Abstract:
Ab-initio phonon calculation for CdCN2 / R-3m (166) Phonon band structure, phonon DOS, thermal properties at constant volume, and phonon ...
Keyword:
CdCN2
,
Phonon
, and
R-3m (166)
Resource Type:
Dataset
Data origin:
simulation
Author:
Atsushi Togo
Date Uploaded:
17/05/2023
215.
Ab-initio phonon calculation for Ba3(PO4)2 / R-3m (166) / materials id 3857
Description/Abstract:
Ab-initio phonon calculation for Ba3(PO4)2 / R-3m (166) Phonon band structure, phonon DOS, thermal properties at constant volume, and pho...
Keyword:
Ba3(PO4)2
,
Phonon
, and
R-3m (166)
Resource Type:
Dataset
Data origin:
simulation
Author:
Atsushi Togo
Date Uploaded:
17/05/2023
216.
Ab-initio phonon calculation for Sr2BrN / R-3m (166) / materials id 23056
Description/Abstract:
Ab-initio phonon calculation for Sr2BrN / R-3m (166) Phonon band structure, phonon DOS, thermal properties at constant volume, and phonon...
Keyword:
Phonon
,
R-3m (166)
, and
Sr2BrN
Resource Type:
Dataset
Data origin:
simulation
Author:
Atsushi Togo
Date Uploaded:
17/05/2023
217.
Ab-initio phonon calculation for Al4C3 / R-3m (166) / materials id 1591
Description/Abstract:
Ab-initio phonon calculation for Al4C3 / R-3m (166) Phonon band structure, phonon DOS, thermal properties at constant volume, and phonon ...
Keyword:
Al4C3
,
Phonon
, and
R-3m (166)
Resource Type:
Dataset
Data origin:
simulation
Author:
Atsushi Togo
Date Uploaded:
17/05/2023
218.
Ab-initio phonon calculation for RbBiS2 / R-3m (166) / materials id 30041
Description/Abstract:
Ab-initio phonon calculation for RbBiS2 / R-3m (166) Phonon band structure, phonon DOS, thermal properties at constant volume, and phonon...
Keyword:
Phonon
,
R-3m (166)
, and
RbBiS2
Resource Type:
Dataset
Data origin:
simulation
Author:
Atsushi Togo
Date Uploaded:
17/05/2023
219.
Ab-initio phonon calculation for NaErO2 / R-3m (166) / materials id 11601
Description/Abstract:
Ab-initio phonon calculation for NaErO2 / R-3m (166) Phonon band structure, phonon DOS, thermal properties at constant volume, and phonon...
Keyword:
NaErO2
,
Phonon
, and
R-3m (166)
Resource Type:
Dataset
Data origin:
simulation
Author:
Atsushi Togo
Date Uploaded:
17/05/2023
220.
Ab-initio phonon calculation for KCa12Si4S2O26F / R-3m (166) / materials id 557227
Description/Abstract:
Ab-initio phonon calculation for KCa12Si4S2O26F / R-3m (166) Phonon band structure, phonon DOS, thermal properties at constant volume, an...
Keyword:
KCa12Si4S2O26F
,
Phonon
, and
R-3m (166)
Resource Type:
Dataset
Data origin:
simulation
Author:
Atsushi Togo
Date Uploaded:
17/05/2023
221.
Ab-initio phonon calculation for K2Sn2O3 / R-3m (166) / materials id 7502
Description/Abstract:
Ab-initio phonon calculation for K2Sn2O3 / R-3m (166) Phonon band structure, phonon DOS, thermal properties at constant volume, and phono...
Keyword:
K2Sn2O3
,
Phonon
, and
R-3m (166)
Resource Type:
Dataset
Data origin:
simulation
Author:
Atsushi Togo
Date Uploaded:
17/05/2023
222.
Ab-initio phonon calculation for CsTmS2 / R-3m (166) / materials id 9089
Description/Abstract:
Ab-initio phonon calculation for CsTmS2 / R-3m (166) Phonon band structure, phonon DOS, thermal properties at constant volume, and phonon...
Keyword:
CsTmS2
,
Phonon
, and
R-3m (166)
Resource Type:
Dataset
Data origin:
simulation
Author:
Atsushi Togo
Date Uploaded:
17/05/2023
223.
Ab-initio phonon calculation for Cs2NaAl3F12 / R-3m (166) / materials id 12309
Description/Abstract:
Ab-initio phonon calculation for Cs2NaAl3F12 / R-3m (166) Phonon band structure, phonon DOS, thermal properties at constant volume, and p...
Keyword:
Cs2NaAl3F12
,
Phonon
, and
R-3m (166)
Resource Type:
Dataset
Data origin:
simulation
Author:
Atsushi Togo
Date Uploaded:
17/05/2023
224.
Ab-initio phonon calculation for BaHgO2 / R-3m (166) / materials id 3915
Description/Abstract:
Ab-initio phonon calculation for BaHgO2 / R-3m (166) Phonon band structure, phonon DOS, thermal properties at constant volume, and phonon...
Keyword:
BaHgO2
,
Phonon
, and
R-3m (166)
Resource Type:
Dataset
Data origin:
simulation
Author:
Atsushi Togo
Date Uploaded:
17/05/2023
225.
Ab-initio phonon calculation for KPF6 / R-3m (166) / materials id 675569
Description/Abstract:
Ab-initio phonon calculation for KPF6 / R-3m (166) Phonon band structure, phonon DOS, thermal properties at constant volume, and phonon r...
Keyword:
KPF6
,
Phonon
, and
R-3m (166)
Resource Type:
Dataset
Data origin:
simulation
Author:
Atsushi Togo
Date Uploaded:
17/05/2023
226.
Ab-initio phonon calculation for RbErS2 / R-3m (166) / materials id 9367
Description/Abstract:
Ab-initio phonon calculation for RbErS2 / R-3m (166) Phonon band structure, phonon DOS, thermal properties at constant volume, and phonon...
Keyword:
Phonon
,
R-3m (166)
, and
RbErS2
Resource Type:
Dataset
Data origin:
simulation
Author:
Atsushi Togo
Date Uploaded:
17/05/2023
227.
Ab-initio phonon calculation for NaHF2 / R-3m (166) / materials id 27837
Description/Abstract:
Ab-initio phonon calculation for NaHF2 / R-3m (166) Phonon band structure, phonon DOS, thermal properties at constant volume, and phonon ...
Keyword:
NaHF2
,
Phonon
, and
R-3m (166)
Resource Type:
Dataset
Data origin:
simulation
Author:
Atsushi Togo
Date Uploaded:
17/05/2023
228.
Ab-initio phonon calculation for YOF / R-3m (166) / materials id 3637
Description/Abstract:
Ab-initio phonon calculation for YOF / R-3m (166) Phonon band structure, phonon DOS, thermal properties at constant volume, and phonon ra...
Keyword:
Phonon
,
R-3m (166)
, and
YOF
Resource Type:
Dataset
Data origin:
simulation
Author:
Atsushi Togo
Date Uploaded:
16/05/2023
229.
Ab-initio phonon calculation for KPt2S3 / R-3m (166) / materials id 30533
Description/Abstract:
Ab-initio phonon calculation for KPt2S3 / R-3m (166) Phonon band structure, phonon DOS, thermal properties at constant volume, and phonon...
Keyword:
KPt2S3
,
Phonon
, and
R-3m (166)
Resource Type:
Dataset
Data origin:
simulation
Author:
Atsushi Togo
Date Uploaded:
16/05/2023
230.
Ab-initio phonon calculation for B / R-3m (166) / materials id 160
Description/Abstract:
Ab-initio phonon calculation for B / R-3m (166) Phonon band structure, phonon DOS, thermal properties at constant volume, and phonon raw ...
Keyword:
B
,
Phonon
, and
R-3m (166)
Resource Type:
Dataset
Data origin:
simulation
Author:
Atsushi Togo
Date Uploaded:
16/05/2023
231.
Ab-initio phonon calculation for AgBiS2 / R-3m (166) / materials id 29678
Description/Abstract:
Ab-initio phonon calculation for AgBiS2 / R-3m (166) Phonon band structure, phonon DOS, thermal properties at constant volume, and phonon...
Keyword:
AgBiS2
,
Phonon
, and
R-3m (166)
Resource Type:
Dataset
Data origin:
simulation
Author:
Atsushi Togo
Date Uploaded:
16/05/2023
232.
Ab-initio phonon calculation for CuSe3I / R-3m (166) / materials id 29450
Description/Abstract:
Ab-initio phonon calculation for CuSe3I / R-3m (166) Phonon band structure, phonon DOS, thermal properties at constant volume, and phonon...
Keyword:
CuSe3I
,
Phonon
, and
R-3m (166)
Resource Type:
Dataset
Data origin:
simulation
Author:
Atsushi Togo
Date Uploaded:
16/05/2023
233.
Ab-initio phonon calculation for Ba2CuClO2 / R-3m (166) / materials id 551456
Description/Abstract:
Ab-initio phonon calculation for Ba2CuClO2 / R-3m (166) Phonon band structure, phonon DOS, thermal properties at constant volume, and pho...
Keyword:
Ba2CuClO2
,
Phonon
, and
R-3m (166)
Resource Type:
Dataset
Data origin:
simulation
Author:
Atsushi Togo
Date Uploaded:
16/05/2023
234.
Ab-initio phonon calculation for KAuF6 / R-3m (166) / materials id 12442
Description/Abstract:
Ab-initio phonon calculation for KAuF6 / R-3m (166) Phonon band structure, phonon DOS, thermal properties at constant volume, and phonon ...
Keyword:
KAuF6
,
Phonon
, and
R-3m (166)
Resource Type:
Dataset
Data origin:
simulation
Author:
Atsushi Togo
Date Uploaded:
16/05/2023
235.
Ab-initio phonon calculation for NaYS2 / R-3m (166) / materials id 10226
Description/Abstract:
Ab-initio phonon calculation for NaYS2 / R-3m (166) Phonon band structure, phonon DOS, thermal properties at constant volume, and phonon ...
Keyword:
NaYS2
,
Phonon
, and
R-3m (166)
Resource Type:
Dataset
Data origin:
simulation
Author:
Atsushi Togo
Date Uploaded:
16/05/2023
236.
Ab-initio phonon calculation for NaSmO2 / R-3m (166) / materials id 756034
Description/Abstract:
Ab-initio phonon calculation for NaSmO2 / R-3m (166) Phonon band structure, phonon DOS, thermal properties at constant volume, and phonon...
Keyword:
NaSmO2
,
Phonon
, and
R-3m (166)
Resource Type:
Dataset
Data origin:
simulation
Author:
Atsushi Togo
Date Uploaded:
16/05/2023
237.
Ab-initio phonon calculation for B4C / R-3m (166) / materials id 696746
Description/Abstract:
Ab-initio phonon calculation for B4C / R-3m (166) Phonon band structure, phonon DOS, thermal properties at constant volume, and phonon ra...
Keyword:
B4C
,
Phonon
, and
R-3m (166)
Resource Type:
Dataset
Data origin:
simulation
Author:
Atsushi Togo
Date Uploaded:
16/05/2023
238.
Ab-initio phonon calculation for SrHgO2 / R-3m (166) / materials id 28688
Description/Abstract:
Ab-initio phonon calculation for SrHgO2 / R-3m (166) Phonon band structure, phonon DOS, thermal properties at constant volume, and phonon...
Keyword:
Phonon
,
R-3m (166)
, and
SrHgO2
Resource Type:
Dataset
Data origin:
simulation
Author:
Atsushi Togo
Date Uploaded:
16/05/2023
239.
Ab-initio phonon calculation for Tl2O / R-3m (166) / materials id 27484
Description/Abstract:
Ab-initio phonon calculation for Tl2O / R-3m (166) Phonon band structure, phonon DOS, thermal properties at constant volume, and phonon r...
Keyword:
Phonon
,
R-3m (166)
, and
Tl2O
Resource Type:
Dataset
Data origin:
simulation
Author:
Atsushi Togo
Date Uploaded:
16/05/2023
240.
Ab-initio phonon calculation for DyZnPO / R-3m (166) / materials id 549728
Description/Abstract:
Ab-initio phonon calculation for DyZnPO / R-3m (166) Phonon band structure, phonon DOS, thermal properties at constant volume, and phonon...
Keyword:
DyZnPO
,
Phonon
, and
R-3m (166)
Resource Type:
Dataset
Data origin:
simulation
Author:
Atsushi Togo
Date Uploaded:
16/05/2023
241.
Ab-initio phonon calculation for CsMgH3 / R-3m (166) / materials id 23751
Description/Abstract:
Ab-initio phonon calculation for CsMgH3 / R-3m (166) Phonon band structure, phonon DOS, thermal properties at constant volume, and phonon...
Keyword:
CsMgH3
,
Phonon
, and
R-3m (166)
Resource Type:
Dataset
Data origin:
simulation
Author:
Atsushi Togo
Date Uploaded:
16/05/2023
242.
Ab-initio phonon calculation for RbPrS2 / R-3m (166) / materials id 9362
Description/Abstract:
Ab-initio phonon calculation for RbPrS2 / R-3m (166) Phonon band structure, phonon DOS, thermal properties at constant volume, and phonon...
Keyword:
Phonon
,
R-3m (166)
, and
RbPrS2
Resource Type:
Dataset
Data origin:
simulation
Author:
Atsushi Togo
Date Uploaded:
16/05/2023
243.
Ab-initio phonon calculation for BiOF / R-3m (166) / materials id 759883
Description/Abstract:
Ab-initio phonon calculation for BiOF / R-3m (166) Phonon band structure, phonon DOS, thermal properties at constant volume, and phonon r...
Keyword:
BiOF
,
Phonon
, and
R-3m (166)
Resource Type:
Dataset
Data origin:
simulation
Author:
Atsushi Togo
Date Uploaded:
16/05/2023
244.
Ab-initio phonon calculation for AlCuO2 / R-3m (166) / materials id 3748
Description/Abstract:
Ab-initio phonon calculation for AlCuO2 / R-3m (166) Phonon band structure, phonon DOS, thermal properties at constant volume, and phonon...
Keyword:
AlCuO2
,
Phonon
, and
R-3m (166)
Resource Type:
Dataset
Data origin:
simulation
Author:
Atsushi Togo
Date Uploaded:
16/05/2023
245.
Ab-initio phonon calculation for K2Zr(BO3)2 / R-3m (166) / materials id 8891
Description/Abstract:
Ab-initio phonon calculation for K2Zr(BO3)2 / R-3m (166) Phonon band structure, phonon DOS, thermal properties at constant volume, and ph...
Keyword:
K2Zr(BO3)2
,
Phonon
, and
R-3m (166)
Resource Type:
Dataset
Data origin:
simulation
Author:
Atsushi Togo
Date Uploaded:
16/05/2023
246.
Ab-initio phonon calculation for CsLuS2 / R-3m (166) / materials id 561619
Description/Abstract:
Ab-initio phonon calculation for CsLuS2 / R-3m (166) Phonon band structure, phonon DOS, thermal properties at constant volume, and phonon...
Keyword:
CsLuS2
,
Phonon
, and
R-3m (166)
Resource Type:
Dataset
Data origin:
simulation
Author:
Atsushi Togo
Date Uploaded:
16/05/2023
247.
Ab-initio phonon calculation for K3B12H12Br / R-3m (166) / materials id 510549
Description/Abstract:
Ab-initio phonon calculation for K3B12H12Br / R-3m (166) Phonon band structure, phonon DOS, thermal properties at constant volume, and ph...
Keyword:
K3B12H12Br
,
Phonon
, and
R-3m (166)
Resource Type:
Dataset
Data origin:
simulation
Author:
Atsushi Togo
Date Uploaded:
16/05/2023
248.
Ab-initio phonon calculation for K2Be2PbF8 / R-3m (166) / materials id 7385
Description/Abstract:
Ab-initio phonon calculation for K2Be2PbF8 / R-3m (166) Phonon band structure, phonon DOS, thermal properties at constant volume, and pho...
Keyword:
K2Be2PbF8
,
Phonon
, and
R-3m (166)
Resource Type:
Dataset
Data origin:
simulation
Author:
Atsushi Togo
Date Uploaded:
16/05/2023
249.
Ab-initio phonon calculation for LiYSe2 / R-3m (166) / materials id 15794
Description/Abstract:
Ab-initio phonon calculation for LiYSe2 / R-3m (166) Phonon band structure, phonon DOS, thermal properties at constant volume, and phonon...
Keyword:
LiYSe2
,
Phonon
, and
R-3m (166)
Resource Type:
Dataset
Data origin:
simulation
Author:
Atsushi Togo
Date Uploaded:
16/05/2023
250.
Ab-initio phonon calculation for CdBr2 / R-3m (166) / materials id 568690
Description/Abstract:
Ab-initio phonon calculation for CdBr2 / R-3m (166) Phonon band structure, phonon DOS, thermal properties at constant volume, and phonon ...
Keyword:
CdBr2
,
Phonon
, and
R-3m (166)
Resource Type:
Dataset
Data origin:
simulation
Author:
Atsushi Togo
Date Uploaded:
16/05/2023
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