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Ab-initio phonon calculation for Ba2Ti6N2O11 / Cm (8) / materials id 776466
Ab-initio phonon calculation for Na2Si2O5 / P2_1/c (14) / materials id 3193
Ab-initio phonon calculation for DyHO2 / Pnma (62) / materials id 755659
Ab-initio phonon calculation for TeO2 / P4_32_12 (96) / materials id 2739
Ab-initio phonon calculation for Cs3Cr2Br9 / P6_3/mmc (194) / materials id 23451
Ab-initio phonon calculation for TaTl(GeO3)3 / P-6c2 (188) / materials id 540634
Ab-initio phonon calculation for Sr2CaI6 / P-31m (162) / materials id 754710
Ab-initio phonon calculation for HgPSe3 / C2/c (15) / materials id 7293
Ab-initio phonon calculation for Cs3LaCl6 / C2/c (15) / materials id 582080
Ab-initio phonon calculation for La2SO2 / P-3m1 (164) / materials id 4511
Ab-initio phonon calculation for Sn2IF3 / Cmcm (63) / materials id 555077
Ab-initio phonon calculation for SiO2 / I4/mmm (139) / materials id 555211
Ab-initio phonon calculation for Zr3Pb(O2F3)2 / Fm-3m (225) / materials id 541097
Ab-initio phonon calculation for Rb2PdSe16 / P-4b2 (117) / materials id 31292
Ab-initio phonon calculation for HgO / Pnma (62) / materials id 1224
Ab-initio phonon calculation for Cs3TlO3 / P2_1/c (14) / materials id 756122
Ab-initio phonon calculation for Li6MgBr8 / Fm-3m (225) / materials id 29008
Ab-initio phonon calculation for Cs2AgI3 / Pnma (62) / materials id 540881
Ab-initio phonon calculation for Ba2Ge2Te5 / Pna2_1 (33) / materials id 17885
Ab-initio phonon calculation for Na2Hg3S4 / Pbca (61) / materials id 505121
Ab-initio phonon calculation for Mg(HO)2 / C2 (5) / materials id 626143
Ab-initio phonon calculation for Ba3Ta6(Si2O13)2 / P-62m (189) / materials id 6169
Ab-initio phonon calculation for CdSnO3 / Pnma (62) / materials id 849371
Ab-initio phonon calculation for Ba2Si5N8 / Pmn2_1 (31) / materials id 9711
Ab-initio phonon calculation for Na6Ti2O7 / P2/c (13) / materials id 778364
Ab-initio phonon calculation for LiYF4 / I4_1/a (88) / materials id 3700
Ab-initio phonon calculation for KLa5(CCl5)2 / P2_1/c (14) / materials id 571240
Ab-initio phonon calculation for Ba2SrI6 / Pbcn (60) / materials id 756624
Ab-initio phonon calculation for SrCaSi / Pnma (62) / materials id 7084
Ab-initio phonon calculation for NaLiSiB3HO8 / P2_1/c (14) / materials id 558267
Ab-initio phonon calculation for SbAsO3 / P2_1/c (14) / materials id 28109
Ab-initio phonon calculation for Cd2PCl2 / P2_1/c (14) / materials id 31276
Ab-initio phonon calculation for Ba2Mg3H10 / C2/m (12) / materials id 733604
Ab-initio phonon calculation for YbTb2S4 / I-42d (122) / materials id 673682
Ab-initio phonon calculation for Rb2Pd3S4 / Fmmm (69) / materials id 11695
Ab-initio phonon calculation for InI / Cmcm (63) / materials id 23202
Ab-initio phonon calculation for Ba3Nb2ZnO9 / P-3m1 (164) / materials id 7249
Ab-initio phonon calculation for Nd2Be2SiO7 / P-42_1m (113) / materials id 9077
Ab-initio phonon calculation for Na3VS4 / P-42_1c (114) / materials id 29143
Ab-initio phonon calculation for Ba2SmSbO6 / Fm-3m (225) / materials id 6037
Ab-initio phonon calculation for ZnP2 / P2_1/c (14) / materials id 1392
Ab-initio phonon calculation for BaNa2(SiO3)2 / P2_1 (4) / materials id 556806
Ab-initio phonon calculation for K5YO4 / Pbca (61) / materials id 769262
Ab-initio phonon calculation for Li8TiS6 / R-3 (148) / materials id 754266
Ab-initio phonon calculation for Nb2Tl3CuSe12 / P2_1/c (14) / materials id 570757
Ab-initio phonon calculation for CsIO3 / Pmn2_1 (31) / materials id 28295
Ab-initio phonon calculation for SrTeO3 / C2 (5) / materials id 561394
Ab-initio phonon calculation for KSb(PS3)2 / P2_1 (4) / materials id 556609
Ab-initio phonon calculation for CsErZnTe3 / Cmcm (63) / materials id 569107
Ab-initio phonon calculation for K2PdCl4 / P4/mmm (123) / materials id 22956
Ab-initio phonon calculation for Nb2Bi2PbO9 / Cmc2_1 (36) / materials id 583454
Ab-initio phonon calculation for Li4H6Os / R-3c (167) / materials id 642996
Ab-initio phonon calculation for Sr3SiO5 / I4/mcm (140) / materials id 979932
Ab-initio phonon calculation for Ba2YC2(O2F)3 / Pbcn (60) / materials id 8985
Ab-initio phonon calculation for CsK2Ho(PO4)2 / P-3m1 (164) / materials id 573324
Ab-initio phonon calculation for LiGaAs2O7 / C2 (5) / materials id 545346
Ab-initio phonon calculation for Sm2SiSeO4 / Pbcm (57) / materials id 18610
Ab-initio phonon calculation for LiSb3O8 / P2_1/c (14) / materials id 29892
Ab-initio phonon calculation for NbSbO4 / Pna2_1 (33) / materials id 3491
Ab-initio phonon calculation for LaTiNO2 / P2_1 (4) / materials id 775918
Ab-initio phonon calculation for RbPbF3 / Cc (9) / materials id 674508
Ab-initio phonon calculation for ScOF / P2_1/c (14) / materials id 4662
Ab-initio phonon calculation for Ca3(GaN2)2 / C2/c (15) / materials id 571162
Ab-initio phonon calculation for La2Th5O13 / R3m (160) / materials id 756142
Ab-initio phonon calculation for Li7TaO6 / R3 (146) / materials id 28891
Ab-initio phonon calculation for Sm(ErSe2)3 / P2_1/m (11) / materials id 13282
Ab-initio phonon calculation for K2Cd3S4 / Pnma (62) / materials id 18101
Ab-initio phonon calculation for Rb2AgAu3I8 / C2/c (15) / materials id 570536
Ab-initio phonon calculation for Dy2TeO6 / P321 (150) / materials id 769039
Ab-initio phonon calculation for LiSiBiO4 / Pnma (62) / materials id 752501
Ab-initio phonon calculation for K2PtI6 / P4/mnc (128) / materials id 28247
Ab-initio phonon calculation for SbO2F / C2/c (15) / materials id 752753
Ab-initio phonon calculation for Ca2Zr5Ti2O16 / Pbca (61) / materials id 667369
Ab-initio phonon calculation for Na5TlO4 / Pbca (61) / materials id 7652
Ab-initio phonon calculation for Sb6O13 / P2_1/m (11) / materials id 684679
Ab-initio phonon calculation for PbSe2O5 / P2_1/c (14) / materials id 662535
Ab-initio phonon calculation for SrAlF5 / P2_1/c (14) / materials id 16557
Ab-initio phonon calculation for Na2SnSe3 / P2_1/c (14) / materials id 568543
Ab-initio phonon calculation for Ba(InS2)2 / Fddd (70) / materials id 21943
Ab-initio phonon calculation for Rb2NbAgS4 / Fddd (70) / materials id 14636
Ab-initio phonon calculation for Sm2Se2O / P2_1/c (14) / materials id 755362
Ab-initio phonon calculation for Ba3Co(CN)3 / P6_3/m (176) / materials id 861914
Ab-initio phonon calculation for LiCaGaF6 / P-31c (163) / materials id 12829
Ab-initio phonon calculation for NaNd3Ti2(SbO7)2 / P2/c (13) / materials id 40484
Ab-initio phonon calculation for Na4Ti5O12 / C2/c (15) / materials id 760184
Ab-initio phonon calculation for Sm2Pt2O7 / Fd-3m (227) / materials id 756148
Ab-initio phonon calculation for Er2C(NO)2 / P-3m1 (164) / materials id 6574
Ab-initio phonon calculation for K2YNb5O15 / Cmmm (65) / materials id 558325
Ab-initio phonon calculation for HfSnS3 / Pnma (62) / materials id 8725
Ab-initio phonon calculation for BrF3 / Cmc2_1 (36) / materials id 23297
Ab-initio phonon calculation for K3NdSi2O7 / P6_3/mcm (193) / materials id 8614
Ab-initio phonon calculation for Cs3Bi2Br9 / C2/c (15) / materials id 680674
Ab-initio phonon calculation for LiPPbO4 / Pna2_1 (33) / materials id 22694
Ab-initio phonon calculation for As2PbS4 / Pnma (62) / materials id 19941
Ab-initio phonon calculation for ZnS / P3m1 (156) / materials id 556784
Ab-initio phonon calculation for La10Se19 / P4_2/n (86) / materials id 8866
Ab-initio phonon calculation for NaP4N7 / C2/c (15) / materials id 29598
Ab-initio phonon calculation for Dy3CuSnS7 / P6_3 (173) / materials id 561499
Ab-initio phonon calculation for Ba3Ho(BO3)3 / P6_3cm (185) / materials id 14384
Ab-initio phonon calculation for Ti3Sn7O20 / Cmmm (65) / materials id 765970
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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
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Phonon
10,137
P2_1/c (14)
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Pnma (62)
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C2/c (15)
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10,137
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Creative Commons BY Attribution 4.0 International
10,137
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simulation
10,034
simulations
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Author
Atsushi Togo
10,137
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MEXT
10,034
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VASP
10,137
phonopy
10,137
spglib
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10,137
phono3py
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