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Ab-initio phonon calculation for MgTi2(PO5)2 / P2_1/c (14) / materials id 561065
Ab-initio phonon calculation for In2GaBiS6 / P2_1/m (11) / materials id 556231
Ab-initio phonon calculation for Na5P3O10 / C2/c (15) / materials id 557529
Ab-initio phonon calculation for K2Ti8O17 / C2/m (12) / materials id 762279
Ab-initio phonon calculation for Li4Ti7O16 / Pnnm (58) / materials id 531820
Ab-initio phonon calculation for SrPSe3 / P2_1/c (14) / materials id 7198
Ab-initio phonon calculation for Ba2CuIO2 / P2_1/m (11) / materials id 561179
Ab-initio phonon calculation for CsBi3Se5 / Pnma (62) / materials id 567928
Ab-initio phonon calculation for KAuO2 / Pmmm (47) / materials id 27418
Ab-initio phonon calculation for KY2CuS4 / Cmcm (63) / materials id 11602
Ab-initio phonon calculation for Ba3Lu2Zn5O11 / F-43m (216) / materials id 554066
Ab-initio phonon calculation for Dy(HO)3 / P6_3/m (176) / materials id 24074
Ab-initio phonon calculation for Li2ZnCl4 / Fd-3m (227) / materials id 22961
Ab-initio phonon calculation for Yb11GaSb9 / Iba2 (45) / materials id 569811
Ab-initio phonon calculation for XeF3 / P2_1/c (14) / materials id 561153
Ab-initio phonon calculation for Cd4GeSe6 / Cc (9) / materials id 18163
Ab-initio phonon calculation for AlHg2SbCl4 / Pbcn (60) / materials id 568001
Ab-initio phonon calculation for CdI2 / P3m1 (156) / materials id 570410
Ab-initio phonon calculation for SbO2 / Pnna (52) / materials id 560098
Ab-initio phonon calculation for Cs2HgI4 / P2_1 (4) / materials id 567594
Ab-initio phonon calculation for GaCuI4 / I-4 (82) / materials id 29403
Ab-initio phonon calculation for Be4TeO7 / F-43m (216) / materials id 27608
Ab-initio phonon calculation for HoIO / P4/nmm (129) / materials id 753173
Ab-initio phonon calculation for CsAuF4 / Immm (71) / materials id 572767
Ab-initio phonon calculation for Ca3Ta2O8 / C2/c (15) / materials id 769390
Ab-initio phonon calculation for SrMgH4 / Cmc2_1 (36) / materials id 643009
Ab-initio phonon calculation for AgCl / P2_1/m (11) / materials id 570687
Ab-initio phonon calculation for Cd(In2I3)2 / P4/mnc (128) / materials id 616218
Ab-initio phonon calculation for CaTeO4 / Pbcn (60) / materials id 12221
Ab-initio phonon calculation for Ba2ErSbO6 / Fm-3m (225) / materials id 6231
Ab-initio phonon calculation for KRb2GaF6 / Fm-3m (225) / materials id 13190
Ab-initio phonon calculation for AlH3 / R-3c (167) / materials id 23933
Ab-initio phonon calculation for K2BiF5 / Pnma (62) / materials id 561290
Ab-initio phonon calculation for BaHgO2 / R-3m (166) / materials id 3915
Phono3py input data to calculate lattice thermal conductvities for wurtzite-CuBr
Phono3py input data to calculate lattice thermal conductvities for rocksalt-CaS
Phono3py input data to calculate lattice thermal conductvities for wurtzite-ZnS
Phono3py input data to calculate lattice thermal conductvities for zincblende-AlN
Phono3py input data to calculate lattice thermal conductvities for zincblende-CuCl
Phono3py input data to calculate lattice thermal conductvities for zincblende-AgI
Phono3py input data to calculate lattice thermal conductvities for rocksalt-LiBr
Phono3py input data to calculate lattice thermal conductvities for wurtzite-CdS
Phono3py input data to calculate lattice thermal conductvities for rocksalt-LiI
Phono3py input data to calculate lattice thermal conductvities for rocksalt-PbS
Phono3py input data to calculate lattice thermal conductvities for zincblende-AlAs
Phono3py input data to calculate lattice thermal conductvities for zincblende-BP
Phono3py input data to calculate lattice thermal conductvities for wurtzite-ZnO
Phono3py input data to calculate lattice thermal conductvities for zincblende-BeSe
Phono3py input data to calculate lattice thermal conductvities for rocksalt-RbH
Phono3py input data to calculate lattice thermal conductvities for zincblende-ZnS
Phono3py input data to calculate lattice thermal conductvities for zincblende-CdTe
Phono3py input data to calculate lattice thermal conductvities for zincblende-CuI
Phono3py input data to calculate lattice thermal conductvities for wurtzite-InSb
Phono3py input data to calculate lattice thermal conductvities for zincblende-InP
Phono3py input data to calculate lattice thermal conductvities for zincblende-CdS
Phono3py input data to calculate lattice thermal conductvities for zincblende-InSb
Phono3py input data to calculate lattice thermal conductvities for zincblende-GaSb
Phono3py input data to calculate lattice thermal conductvities for wurtzite-GaN
Phono3py input data to calculate lattice thermal conductvities for wurtzite-BN
Phono3py input data to calculate lattice thermal conductvities for wurtzite-MgTe
Phono3py input data to calculate lattice thermal conductvities for rocksalt-KF
Phono3py input data to calculate lattice thermal conductvities for zincblende-MgTe
Phono3py input data to calculate lattice thermal conductvities for rocksalt-RbCl
Phono3py input data to calculate lattice thermal conductvities for zincblende-GaN
Phono3py input data to calculate lattice thermal conductvities for rocksalt-MgO
Phono3py input data to calculate lattice thermal conductvities for rocksalt-BaSe
Phono3py input data to calculate lattice thermal conductvities for zincblende-ZnTe
Phono3py input data to calculate lattice thermal conductvities for rocksalt-RbF
Phono3py input data to calculate lattice thermal conductvities for wurtzite-GaSb
Phono3py input data to calculate lattice thermal conductvities for wurtzite-CuI
Phono3py input data to calculate lattice thermal conductvities for rocksalt-NaF
Phono3py input data to calculate lattice thermal conductvities for wurtzite-AlSb
Phono3py input data to calculate lattice thermal conductvities for zincblende-BAs
Phono3py input data to calculate lattice thermal conductvities for zincblende-ZnO
Phono3py input data to calculate lattice thermal conductvities for zincblende-BeS
Phono3py input data to calculate lattice thermal conductvities for wurtzite-CdTe
Phono3py input data to calculate lattice thermal conductvities for zincblende-InAs
Phono3py input data to calculate lattice thermal conductvities for wurtzite-ZnTe
Phono3py input data to calculate lattice thermal conductvities for rocksalt-RbI
Phono3py input data to calculate lattice thermal conductvities for rocksalt-LiCl
Phono3py input data to calculate lattice thermal conductvities for wurtzite-BeS
Phono3py input data to calculate lattice thermal conductvities for wurtzite-BeSe
Phono3py input data to calculate lattice thermal conductvities for wurtzite-AlN
Phono3py input data to calculate lattice thermal conductvities for rocksalt-RbBr
Phono3py input data to calculate lattice thermal conductvities for rocksalt-NaH
Phono3py input data to calculate lattice thermal conductvities for wurtzite-SiC
Phono3py input data to calculate lattice thermal conductvities for wurtzite-GaAs
Phono3py input data to calculate lattice thermal conductvities for wurtzite-AlP
Phono3py input data to calculate lattice thermal conductvities for rocksalt-KI
Phono3py input data to calculate lattice thermal conductvities for zincblende-InN
Phono3py input data to calculate lattice thermal conductvities for rocksalt-KCl
Phono3py input data to calculate lattice thermal conductvities for rocksalt-CsF
Phono3py input data to calculate lattice thermal conductvities for zincblende-BeO
Phono3py input data to calculate lattice thermal conductvities for rocksalt-CaO
Phono3py input data to calculate lattice thermal conductvities for zincblende-GaAs
Phono3py input data to calculate lattice thermal conductvities for wurtzite-InP
Phono3py input data to calculate lattice thermal conductvities for rocksalt-BaTe
Phono3py input data to calculate lattice thermal conductvities for wurtzite-AgI
Phono3py input data to calculate lattice thermal conductvities for wurtzite-BeTe
Phono3py input data to calculate lattice thermal conductvities for zincblende-BN
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Type of work
Dataset
10,137
Collection
MDR phonon calculation database
10,034
Lattice thermal conductivity calculation datasets for 103 binary compounds by finite displacement method
103
Keyword
Phonon
10,137
P2_1/c (14)
1,072
Pnma (62)
839
C2/c (15)
599
C2/m (12)
368
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NIMS
10,137
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Dataset
10,137
Visibility
open
10,137
Rights Statement Sim
Creative Commons BY Attribution 4.0 International
10,137
Data origin
simulation
10,034
simulations
103
Author
Atsushi Togo
10,137
Funder
MEXT
10,034
Software
VASP
[remove]
10,137
phonopy
10,137
spglib
10,137
phono3py
103