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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 LaBrO / P4/nmm (129) / materials id 23023
Description/Abstract:
Ab-initio phonon calculation for LaBrO / P4/nmm (129) Phonon band structure, phonon DOS, thermal properties at constant volume, and phono...
Keyword:
LaBrO
,
P4/nmm (129)
, and
Phonon
Resource Type:
Dataset
Data origin:
simulation
Author:
Atsushi Togo
Date Uploaded:
15/05/2023
Ab-initio phonon calculation for CuAg3S2 / I4_1/a (88) / materials id 644883
Description/Abstract:
Ab-initio phonon calculation for CuAg3S2 / I4_1/a (88) Phonon band structure, phonon DOS, thermal properties at constant volume, and phon...
Keyword:
CuAg3S2
,
I4_1/a (88)
, and
Phonon
Resource Type:
Dataset
Data origin:
simulation
Author:
Atsushi Togo
Date Uploaded:
15/05/2023
Ab-initio phonon calculation for CsEr(NbBr3)6 / P-31c (163) / materials id 569903
Description/Abstract:
Ab-initio phonon calculation for CsEr(NbBr3)6 / P-31c (163) Phonon band structure, phonon DOS, thermal properties at constant volume, and...
Keyword:
CsEr(NbBr3)6
,
P-31c (163)
, 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 Cs2Te13 / Pbcm (57) / materials id 505464
Description/Abstract:
Ab-initio phonon calculation for Cs2Te13 / Pbcm (57) Phonon band structure, phonon DOS, thermal properties at constant volume, and phonon...
Keyword:
Cs2Te13
,
Pbcm (57)
, and
Phonon
Resource Type:
Dataset
Data origin:
simulation
Author:
Atsushi Togo
Date Uploaded:
15/05/2023
Ab-initio phonon calculation for Sr4GeP4 / P-43n (218) / materials id 14213
Description/Abstract:
Ab-initio phonon calculation for Sr4GeP4 / P-43n (218) Phonon band structure, phonon DOS, thermal properties at constant volume, and phon...
Keyword:
P-43n (218)
,
Phonon
, and
Sr4GeP4
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 RbCaCO3F / P-62m (189) / materials id 867757
Description/Abstract:
Ab-initio phonon calculation for RbCaCO3F / P-62m (189) Phonon band structure, phonon DOS, thermal properties at constant volume, and pho...
Keyword:
P-62m (189)
,
Phonon
, and
RbCaCO3F
Resource Type:
Dataset
Data origin:
simulation
Author:
Atsushi Togo
Date Uploaded:
15/05/2023
Ab-initio phonon calculation for Sb5IO7 / P-62c (190) / materials id 28485
Description/Abstract:
Ab-initio phonon calculation for Sb5IO7 / P-62c (190) Phonon band structure, phonon DOS, thermal properties at constant volume, and phono...
Keyword:
P-62c (190)
,
Phonon
, and
Sb5IO7
Resource Type:
Dataset
Data origin:
simulation
Author:
Atsushi Togo
Date Uploaded:
15/05/2023
Ab-initio phonon calculation for Ba5Si(Br3O2)2 / C2/c (15) / materials id 553884
Description/Abstract:
Ab-initio phonon calculation for Ba5Si(Br3O2)2 / C2/c (15) Phonon band structure, phonon DOS, thermal properties at constant volume, and ...
Keyword:
Ba5Si(Br3O2)2
,
C2/c (15)
, and
Phonon
Resource Type:
Dataset
Data origin:
simulation
Author:
Atsushi Togo
Date Uploaded:
15/05/2023
Ab-initio phonon calculation for Cs3BAs2 / C2/c (15) / materials id 573658
Description/Abstract:
Ab-initio phonon calculation for Cs3BAs2 / C2/c (15) Phonon band structure, phonon DOS, thermal properties at constant volume, and phonon...
Keyword:
C2/c (15)
,
Cs3BAs2
, and
Phonon
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 Te3As2 / R-3m (166) / materials id 9897
Description/Abstract:
Ab-initio phonon calculation for Te3As2 / R-3m (166) Phonon band structure, phonon DOS, thermal properties at constant volume, and phonon...
Keyword:
Phonon
,
R-3m (166)
, and
Te3As2
Resource Type:
Dataset
Data origin:
simulation
Author:
Atsushi Togo
Date Uploaded:
15/05/2023
Ab-initio phonon calculation for Ag2GeS3 / Cmc2_1 (36) / materials id 9900
Description/Abstract:
Ab-initio phonon calculation for Ag2GeS3 / Cmc2_1 (36) Phonon band structure, phonon DOS, thermal properties at constant volume, and phon...
Keyword:
Ag2GeS3
,
Cmc2_1 (36)
, and
Phonon
Resource Type:
Dataset
Data origin:
simulation
Author:
Atsushi Togo
Date Uploaded:
15/05/2023
Ab-initio phonon calculation for TeO3 / R-3c (167) / materials id 2552
Description/Abstract:
Ab-initio phonon calculation for TeO3 / R-3c (167) Phonon band structure, phonon DOS, thermal properties at constant volume, and phonon r...
Keyword:
Phonon
,
R-3c (167)
, and
TeO3
Resource Type:
Dataset
Data origin:
simulation
Author:
Atsushi Togo
Date Uploaded:
15/05/2023
Ab-initio phonon calculation for Dy2Ge2O7 / Pnma (62) / materials id 773011
Description/Abstract:
Ab-initio phonon calculation for Dy2Ge2O7 / Pnma (62) Phonon band structure, phonon DOS, thermal properties at constant volume, and phono...
Keyword:
Dy2Ge2O7
,
Phonon
, and
Pnma (62)
Resource Type:
Dataset
Data origin:
simulation
Author:
Atsushi Togo
Date Uploaded:
15/05/2023
Ab-initio phonon calculation for Ar / Fm-3m (225) / materials id 23155
Description/Abstract:
Ab-initio phonon calculation for Ar / Fm-3m (225) Phonon band structure, phonon DOS, thermal properties at constant volume, and phonon ra...
Keyword:
Ar
,
Fm-3m (225)
, and
Phonon
Resource Type:
Dataset
Data origin:
simulation
Author:
Atsushi Togo
Date Uploaded:
15/05/2023
Ab-initio phonon calculation for LuAsO4 / I4_1/amd (141) / materials id 7644
Description/Abstract:
Ab-initio phonon calculation for LuAsO4 / I4_1/amd (141) Phonon band structure, phonon DOS, thermal properties at constant volume, and ph...
Keyword:
I4_1/amd (141)
,
LuAsO4
, and
Phonon
Resource Type:
Dataset
Data origin:
simulation
Author:
Atsushi Togo
Date Uploaded:
15/05/2023
Ab-initio phonon calculation for CsCa2Ta3O10 / P4/mmm (123) / materials id 10347
Description/Abstract:
Ab-initio phonon calculation for CsCa2Ta3O10 / P4/mmm (123) Phonon band structure, phonon DOS, thermal properties at constant volume, and...
Keyword:
CsCa2Ta3O10
,
P4/mmm (123)
, and
Phonon
Resource Type:
Dataset
Data origin:
simulation
Author:
Atsushi Togo
Date Uploaded:
15/05/2023
Ab-initio phonon calculation for BaLu2O4 / Cmcm (63) / materials id 780535
Description/Abstract:
Ab-initio phonon calculation for BaLu2O4 / Cmcm (63) Phonon band structure, phonon DOS, thermal properties at constant volume, and phonon...
Keyword:
BaLu2O4
,
Cmcm (63)
, and
Phonon
Resource Type:
Dataset
Data origin:
simulation
Author:
Atsushi Togo
Date Uploaded:
15/05/2023
Ab-initio phonon calculation for Ba2Ti(GeO4)2 / P4bm (100) / materials id 6289
Description/Abstract:
Ab-initio phonon calculation for Ba2Ti(GeO4)2 / P4bm (100) Phonon band structure, phonon DOS, thermal properties at constant volume, and ...
Keyword:
Ba2Ti(GeO4)2
,
P4bm (100)
, and
Phonon
Resource Type:
Dataset
Data origin:
simulation
Author:
Atsushi Togo
Date Uploaded:
15/05/2023
Ab-initio phonon calculation for NaHS / R3m (160) / materials id 36582
Description/Abstract:
Ab-initio phonon calculation for NaHS / R3m (160) Phonon band structure, phonon DOS, thermal properties at constant volume, and phonon ra...
Keyword:
NaHS
,
Phonon
, and
R3m (160)
Resource Type:
Dataset
Data origin:
simulation
Author:
Atsushi Togo
Date Uploaded:
15/05/2023
Ab-initio phonon calculation for P2Pd / C2/c (15) / materials id 28266
Description/Abstract:
Ab-initio phonon calculation for P2Pd / C2/c (15) Phonon band structure, phonon DOS, thermal properties at constant volume, and phonon ra...
Keyword:
C2/c (15)
,
P2Pd
, and
Phonon
Resource Type:
Dataset
Data origin:
simulation
Author:
Atsushi Togo
Date Uploaded:
15/05/2023
Ab-initio phonon calculation for Sr(GaTe2)2 / Cccm (66) / materials id 6987
Description/Abstract:
Ab-initio phonon calculation for Sr(GaTe2)2 / Cccm (66) Phonon band structure, phonon DOS, thermal properties at constant volume, and pho...
Keyword:
Cccm (66)
,
Phonon
, and
Sr(GaTe2)2
Resource Type:
Dataset
Data origin:
simulation
Author:
Atsushi Togo
Date Uploaded:
15/05/2023
Ab-initio phonon calculation for Lu2(CN2)3 / R32 (155) / materials id 568116
Description/Abstract:
Ab-initio phonon calculation for Lu2(CN2)3 / R32 (155) Phonon band structure, phonon DOS, thermal properties at constant volume, and phon...
Keyword:
Lu2(CN2)3
,
Phonon
, and
R32 (155)
Resource Type:
Dataset
Data origin:
simulation
Author:
Atsushi Togo
Date Uploaded:
15/05/2023
Ab-initio phonon calculation for LiGaO2 / Pna2_1 (33) / materials id 5854
Description/Abstract:
Ab-initio phonon calculation for LiGaO2 / Pna2_1 (33) Phonon band structure, phonon DOS, thermal properties at constant volume, and phono...
Keyword:
LiGaO2
,
Phonon
, and
Pna2_1 (33)
Resource Type:
Dataset
Data origin:
simulation
Author:
Atsushi Togo
Date Uploaded:
15/05/2023
Ab-initio phonon calculation for La2Si4CN6 / Pnma (62) / materials id 866650
Description/Abstract:
Ab-initio phonon calculation for La2Si4CN6 / Pnma (62) Phonon band structure, phonon DOS, thermal properties at constant volume, and phon...
Keyword:
La2Si4CN6
,
Phonon
, and
Pnma (62)
Resource Type:
Dataset
Data origin:
simulation
Author:
Atsushi Togo
Date Uploaded:
15/05/2023
Ab-initio phonon calculation for Ag2S / C2/m (12) / materials id 32884
Description/Abstract:
Ab-initio phonon calculation for Ag2S / C2/m (12) Phonon band structure, phonon DOS, thermal properties at constant volume, and phonon ra...
Keyword:
Ag2S
,
C2/m (12)
, and
Phonon
Resource Type:
Dataset
Data origin:
simulation
Author:
Atsushi Togo
Date Uploaded:
15/05/2023
Ab-initio phonon calculation for YbS / Fm-3m (225) / materials id 1820
Description/Abstract:
Ab-initio phonon calculation for YbS / Fm-3m (225) Phonon band structure, phonon DOS, thermal properties at constant volume, and phonon r...
Keyword:
Fm-3m (225)
,
Phonon
, and
YbS
Resource Type:
Dataset
Data origin:
simulation
Author:
Atsushi Togo
Date Uploaded:
15/05/2023
Ab-initio phonon calculation for Na2BeSiO4 / Pca2_1 (29) / materials id 6236
Description/Abstract:
Ab-initio phonon calculation for Na2BeSiO4 / Pca2_1 (29) Phonon band structure, phonon DOS, thermal properties at constant volume, and ph...
Keyword:
Na2BeSiO4
,
Pca2_1 (29)
, 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 K2TiCl6 / Fm-3m (225) / materials id 27839
Description/Abstract:
Ab-initio phonon calculation for K2TiCl6 / Fm-3m (225) Phonon band structure, phonon DOS, thermal properties at constant volume, and phon...
Keyword:
Fm-3m (225)
,
K2TiCl6
, and
Phonon
Resource Type:
Dataset
Data origin:
simulation
Author:
Atsushi Togo
Date Uploaded:
15/05/2023
Ab-initio phonon calculation for K4HgAs2 / R-3m (166) / materials id 29484
Description/Abstract:
Ab-initio phonon calculation for K4HgAs2 / R-3m (166) Phonon band structure, phonon DOS, thermal properties at constant volume, and phono...
Keyword:
K4HgAs2
,
Phonon
, and
R-3m (166)
Resource Type:
Dataset
Data origin:
simulation
Author:
Atsushi Togo
Date Uploaded:
15/05/2023
Ab-initio phonon calculation for HoPO4 / I4_1/amd (141) / materials id 4104
Description/Abstract:
Ab-initio phonon calculation for HoPO4 / I4_1/amd (141) Phonon band structure, phonon DOS, thermal properties at constant volume, and pho...
Keyword:
HoPO4
,
I4_1/amd (141)
, and
Phonon
Resource Type:
Dataset
Data origin:
simulation
Author:
Atsushi Togo
Date Uploaded:
15/05/2023
Ab-initio phonon calculation for Cd2Sb2O7 / Imma (74) / materials id 16281
Description/Abstract:
Ab-initio phonon calculation for Cd2Sb2O7 / Imma (74) Phonon band structure, phonon DOS, thermal properties at constant volume, and phono...
Keyword:
Cd2Sb2O7
,
Imma (74)
, and
Phonon
Resource Type:
Dataset
Data origin:
simulation
Author:
Atsushi Togo
Date Uploaded:
15/05/2023
Ab-initio phonon calculation for Tl3PdCl5 / Pbca (61) / materials id 29460
Description/Abstract:
Ab-initio phonon calculation for Tl3PdCl5 / Pbca (61) Phonon band structure, phonon DOS, thermal properties at constant volume, and phono...
Keyword:
Pbca (61)
,
Phonon
, and
Tl3PdCl5
Resource Type:
Dataset
Data origin:
simulation
Author:
Atsushi Togo
Date Uploaded:
15/05/2023
Ab-initio phonon calculation for InAg(PSe3)2 / P-31c (163) / materials id 20902
Description/Abstract:
Ab-initio phonon calculation for InAg(PSe3)2 / P-31c (163) Phonon band structure, phonon DOS, thermal properties at constant volume, and ...
Keyword:
InAg(PSe3)2
,
P-31c (163)
, 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 Pr3GaO6 / Cmc2_1 (36) / materials id 753821
Description/Abstract:
Ab-initio phonon calculation for Pr3GaO6 / Cmc2_1 (36) Phonon band structure, phonon DOS, thermal properties at constant volume, and phon...
Keyword:
Cmc2_1 (36)
,
Phonon
, and
Pr3GaO6
Resource Type:
Dataset
Data origin:
simulation
Author:
Atsushi Togo
Date Uploaded:
15/05/2023
Ab-initio phonon calculation for Li3GaN2 / Ia-3 (206) / materials id 3887
Description/Abstract:
Ab-initio phonon calculation for Li3GaN2 / Ia-3 (206) Phonon band structure, phonon DOS, thermal properties at constant volume, and phono...
Keyword:
Ia-3 (206)
,
Li3GaN2
, and
Phonon
Resource Type:
Dataset
Data origin:
simulation
Author:
Atsushi Togo
Date Uploaded:
15/05/2023
Ab-initio phonon calculation for K2Zr3OF12 / R-3m (166) / materials id 17888
Description/Abstract:
Ab-initio phonon calculation for K2Zr3OF12 / R-3m (166) Phonon band structure, phonon DOS, thermal properties at constant volume, and pho...
Keyword:
K2Zr3OF12
,
Phonon
, and
R-3m (166)
Resource Type:
Dataset
Data origin:
simulation
Author:
Atsushi Togo
Date Uploaded:
15/05/2023
Ab-initio phonon calculation for Sm2Zr2O7 / Fd-3m (227) / materials id 4408
Description/Abstract:
Ab-initio phonon calculation for Sm2Zr2O7 / Fd-3m (227) Phonon band structure, phonon DOS, thermal properties at constant volume, and pho...
Keyword:
Fd-3m (227)
,
Phonon
, and
Sm2Zr2O7
Resource Type:
Dataset
Data origin:
simulation
Author:
Atsushi Togo
Date Uploaded:
15/05/2023
Ab-initio phonon calculation for CuBr / P4/nmm (129) / materials id 22917
Description/Abstract:
Ab-initio phonon calculation for CuBr / P4/nmm (129) Phonon band structure, phonon DOS, thermal properties at constant volume, and phonon...
Keyword:
CuBr
,
P4/nmm (129)
, and
Phonon
Resource Type:
Dataset
Data origin:
simulation
Author:
Atsushi Togo
Date Uploaded:
15/05/2023
Ab-initio phonon calculation for BaUO4 / Pbcm (57) / materials id 5611
Description/Abstract:
Ab-initio phonon calculation for BaUO4 / Pbcm (57) Phonon band structure, phonon DOS, thermal properties at constant volume, and phonon r...
Keyword:
BaUO4
,
Pbcm (57)
, and
Phonon
Resource Type:
Dataset
Data origin:
simulation
Author:
Atsushi Togo
Date Uploaded:
15/05/2023
Ab-initio phonon calculation for CuI / P1 (1) / materials id 673245
Description/Abstract:
Ab-initio phonon calculation for CuI / P1 (1) Phonon band structure, phonon DOS, thermal properties at constant volume, and phonon raw da...
Keyword:
CuI
,
P1 (1)
, and
Phonon
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 K3Ga3As4 / Pnna (52) / materials id 567524
Description/Abstract:
Ab-initio phonon calculation for K3Ga3As4 / Pnna (52) Phonon band structure, phonon DOS, thermal properties at constant volume, and phono...
Keyword:
K3Ga3As4
,
Phonon
, and
Pnna (52)
Resource Type:
Dataset
Data origin:
simulation
Author:
Atsushi Togo
Date Uploaded:
15/05/2023
Ab-initio phonon calculation for Li2BeSiO4 / Pc (7) / materials id 8070
Description/Abstract:
Ab-initio phonon calculation for Li2BeSiO4 / Pc (7) Phonon band structure, phonon DOS, thermal properties at constant volume, and phonon ...
Keyword:
Li2BeSiO4
,
Pc (7)
, and
Phonon
Resource Type:
Dataset
Data origin:
simulation
Author:
Atsushi Togo
Date Uploaded:
15/05/2023
Ab-initio phonon calculation for Tm2Pb2O7 / Fd-3m (227) / materials id 752411
Description/Abstract:
Ab-initio phonon calculation for Tm2Pb2O7 / Fd-3m (227) Phonon band structure, phonon DOS, thermal properties at constant volume, and pho...
Keyword:
Fd-3m (227)
,
Phonon
, and
Tm2Pb2O7
Resource Type:
Dataset
Data origin:
simulation
Author:
Atsushi Togo
Date Uploaded:
15/05/2023
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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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10,034
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Hiori Kino
4
Takashi Miyake
4
Hieu Chi Dam
2
Anh Tuan Nguyen
1
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Authors
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Funder
MEXT
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10,042
JST
3
JSPS KAKENHI
1
JSPS KAKENHI
1
JST
1
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Funders
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Software
VASP
10,034
phonopy
10,034
spglib
10,034
Journal
PHYSICAL REVIEW B
1
SOLID STATE IONICS
1
Science and Technology of Advanced Materials: Methods
1