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Ab-initio phonon calculation for Ba4Nd2Cd3Se10 / Cmc2_1 (36) / materials id 10409
Ab-initio phonon calculation for Y(AlCl4)3 / P3_112 (151) / materials id 570857
Ab-initio phonon calculation for Mg14Ge5O24 / Pbam (55) / materials id 27295
Ab-initio phonon calculation for Tl3PbBr5 / P2_12_12_1 (19) / materials id 27451
Ab-initio phonon calculation for La(BO2)3 / P2_1/c (14) / materials id 561154
Ab-initio phonon calculation for Tl2Sn2S5 / C2/c (15) / materials id 7499
Ab-initio phonon calculation for Na2LiNF6 / Fm-3m (225) / materials id 989504
Ab-initio phonon calculation for Ta2Pt3S8 / Pbam (55) / materials id 560046
Ab-initio phonon calculation for K6Na3AlSb4 / P6_3/mmc (194) / materials id 541707
Ab-initio phonon calculation for H8Pt(NCl3)2 / Fm-3m (225) / materials id 24227
Ab-initio phonon calculation for Rb3AlO3 / C2/m (12) / materials id 14951
Ab-initio phonon calculation for TlCl / Fm-3m (225) / materials id 569639
Ab-initio phonon calculation for SrSi2(BO4)2 / Pnma (62) / materials id 6032
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
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10,137
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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)
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10,137
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simulation
10,034
simulations
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Atsushi Togo
10,137
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MEXT
10,034
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VASP
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10,137
phonopy
10,137
spglib
10,137
phono3py
103