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MDR phonon calculation database
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401.
Ab-initio phonon calculation for As2O3 / Fd-3m (227) / materials id 2184
Description/Abstract:
Ab-initio phonon calculation for As2O3 / Fd-3m (227) Phonon band structure, phonon DOS, thermal properties at constant volume, and phonon...
Keyword:
As2O3
,
Fd-3m (227)
, and
Phonon
Resource Type:
Dataset
Data origin:
simulation
Author:
Atsushi Togo
Date Uploaded:
26/05/2023
402.
Ab-initio phonon calculation for La(BO2)3 / C2/c (15) / materials id 4658
Description/Abstract:
Ab-initio phonon calculation for La(BO2)3 / C2/c (15) Phonon band structure, phonon DOS, thermal properties at constant volume, and phono...
Keyword:
C2/c (15)
,
La(BO2)3
, and
Phonon
Resource Type:
Dataset
Data origin:
simulation
Author:
Atsushi Togo
Date Uploaded:
26/05/2023
403.
Ab-initio phonon calculation for InCl / P2_13 (198) / materials id 23276
Description/Abstract:
Ab-initio phonon calculation for InCl / P2_13 (198) Phonon band structure, phonon DOS, thermal properties at constant volume, and phonon ...
Keyword:
InCl
,
P2_13 (198)
, and
Phonon
Resource Type:
Dataset
Data origin:
simulation
Author:
Atsushi Togo
Date Uploaded:
26/05/2023
404.
Ab-initio phonon calculation for Ho3SiCuS7 / P6_3 (173) / materials id 17486
Description/Abstract:
Ab-initio phonon calculation for Ho3SiCuS7 / P6_3 (173) Phonon band structure, phonon DOS, thermal properties at constant volume, and pho...
Keyword:
Ho3SiCuS7
,
P6_3 (173)
, and
Phonon
Resource Type:
Dataset
Data origin:
simulation
Author:
Atsushi Togo
Date Uploaded:
26/05/2023
405.
Ab-initio phonon calculation for K4GeS4 / P-43n (218) / materials id 556627
Description/Abstract:
Ab-initio phonon calculation for K4GeS4 / P-43n (218) Phonon band structure, phonon DOS, thermal properties at constant volume, and phono...
Keyword:
K4GeS4
,
P-43n (218)
, and
Phonon
Resource Type:
Dataset
Data origin:
simulation
Author:
Atsushi Togo
Date Uploaded:
26/05/2023
406.
Ab-initio phonon calculation for BaNa2Mg(PO4)2 / P-3 (147) / materials id 861906
Description/Abstract:
Ab-initio phonon calculation for BaNa2Mg(PO4)2 / P-3 (147) Phonon band structure, phonon DOS, thermal properties at constant volume, and ...
Keyword:
BaNa2Mg(PO4)2
,
P-3 (147)
, and
Phonon
Resource Type:
Dataset
Data origin:
simulation
Author:
Atsushi Togo
Date Uploaded:
26/05/2023
407.
Ab-initio phonon calculation for RbLiBr2 / Cmcm (63) / materials id 28237
Description/Abstract:
Ab-initio phonon calculation for RbLiBr2 / Cmcm (63) Phonon band structure, phonon DOS, thermal properties at constant volume, and phonon...
Keyword:
Cmcm (63)
,
Phonon
, and
RbLiBr2
Resource Type:
Dataset
Data origin:
simulation
Author:
Atsushi Togo
Date Uploaded:
26/05/2023
408.
Ab-initio phonon calculation for Ca(HO)2 / P-3m1 (164) / materials id 23879
Description/Abstract:
Ab-initio phonon calculation for Ca(HO)2 / P-3m1 (164) Phonon band structure, phonon DOS, thermal properties at constant volume, and phon...
Keyword:
Ca(HO)2
,
P-3m1 (164)
, and
Phonon
Resource Type:
Dataset
Data origin:
simulation
Author:
Atsushi Togo
Date Uploaded:
26/05/2023
409.
Ab-initio phonon calculation for CsCuCl3 / P6_122 (178) / materials id 23032
Description/Abstract:
Ab-initio phonon calculation for CsCuCl3 / P6_122 (178) Phonon band structure, phonon DOS, thermal properties at constant volume, and pho...
Keyword:
CsCuCl3
,
P6_122 (178)
, and
Phonon
Resource Type:
Dataset
Data origin:
simulation
Author:
Atsushi Togo
Date Uploaded:
26/05/2023
410.
Ab-initio phonon calculation for TbCuPbSe3 / Pnma (62) / materials id 601286
Description/Abstract:
Ab-initio phonon calculation for TbCuPbSe3 / Pnma (62) Phonon band structure, phonon DOS, thermal properties at constant volume, and phon...
Keyword:
Phonon
,
Pnma (62)
, and
TbCuPbSe3
Resource Type:
Dataset
Data origin:
simulation
Author:
Atsushi Togo
Date Uploaded:
26/05/2023
411.
Ab-initio phonon calculation for CaZnSiH2O5 / Cc (9) / materials id 696853
Description/Abstract:
Ab-initio phonon calculation for CaZnSiH2O5 / Cc (9) Phonon band structure, phonon DOS, thermal properties at constant volume, and phonon...
Keyword:
CaZnSiH2O5
,
Cc (9)
, and
Phonon
Resource Type:
Dataset
Data origin:
simulation
Author:
Atsushi Togo
Date Uploaded:
26/05/2023
412.
Ab-initio phonon calculation for LiBi3(ClO2)2 / Cmcm (63) / materials id 754206
Description/Abstract:
Ab-initio phonon calculation for LiBi3(ClO2)2 / Cmcm (63) Phonon band structure, phonon DOS, thermal properties at constant volume, and p...
Keyword:
Cmcm (63)
,
LiBi3(ClO2)2
, and
Phonon
Resource Type:
Dataset
Data origin:
simulation
Author:
Atsushi Togo
Date Uploaded:
26/05/2023
413.
Ab-initio phonon calculation for Hf(BH4)4 / P-43m (215) / materials id 28040
Description/Abstract:
Ab-initio phonon calculation for Hf(BH4)4 / P-43m (215) Phonon band structure, phonon DOS, thermal properties at constant volume, and pho...
Keyword:
Hf(BH4)4
,
P-43m (215)
, and
Phonon
Resource Type:
Dataset
Data origin:
simulation
Author:
Atsushi Togo
Date Uploaded:
26/05/2023
414.
Ab-initio phonon calculation for KICl2 / P2_1/c (14) / materials id 628908
Description/Abstract:
Ab-initio phonon calculation for KICl2 / P2_1/c (14) Phonon band structure, phonon DOS, thermal properties at constant volume, and phonon...
Keyword:
KICl2
,
P2_1/c (14)
, and
Phonon
Resource Type:
Dataset
Data origin:
simulation
Author:
Atsushi Togo
Date Uploaded:
26/05/2023
415.
Ab-initio phonon calculation for CsHg5Cl11 / C2/m (12) / materials id 568628
Description/Abstract:
Ab-initio phonon calculation for CsHg5Cl11 / C2/m (12) Phonon band structure, phonon DOS, thermal properties at constant volume, and phon...
Keyword:
C2/m (12)
,
CsHg5Cl11
, and
Phonon
Resource Type:
Dataset
Data origin:
simulation
Author:
Atsushi Togo
Date Uploaded:
26/05/2023
416.
Ab-initio phonon calculation for Cs3Sb2Cl9 / P321 (150) / materials id 567196
Description/Abstract:
Ab-initio phonon calculation for Cs3Sb2Cl9 / P321 (150) Phonon band structure, phonon DOS, thermal properties at constant volume, and pho...
Keyword:
Cs3Sb2Cl9
,
P321 (150)
, and
Phonon
Resource Type:
Dataset
Data origin:
simulation
Author:
Atsushi Togo
Date Uploaded:
26/05/2023
417.
Ab-initio phonon calculation for Tb(IO3)3 / P2_1/c (14) / materials id 554821
Description/Abstract:
Ab-initio phonon calculation for Tb(IO3)3 / P2_1/c (14) Phonon band structure, phonon DOS, thermal properties at constant volume, and pho...
Keyword:
P2_1/c (14)
,
Phonon
, and
Tb(IO3)3
Resource Type:
Dataset
Data origin:
simulation
Author:
Atsushi Togo
Date Uploaded:
26/05/2023
418.
Ab-initio phonon calculation for LiNb(TeO4)3 / P2 (3) / materials id 758389
Description/Abstract:
Ab-initio phonon calculation for LiNb(TeO4)3 / P2 (3) Phonon band structure, phonon DOS, thermal properties at constant volume, and phono...
Keyword:
LiNb(TeO4)3
,
P2 (3)
, and
Phonon
Resource Type:
Dataset
Data origin:
simulation
Author:
Atsushi Togo
Date Uploaded:
26/05/2023
419.
Ab-initio phonon calculation for NaHoS2 / R-3m (166) / materials id 5694
Description/Abstract:
Ab-initio phonon calculation for NaHoS2 / R-3m (166) Phonon band structure, phonon DOS, thermal properties at constant volume, and phonon...
Keyword:
NaHoS2
,
Phonon
, and
R-3m (166)
Resource Type:
Dataset
Data origin:
simulation
Author:
Atsushi Togo
Date Uploaded:
26/05/2023
420.
Ab-initio phonon calculation for BaHg2(ClO)2 / P4/mbm (127) / materials id 555736
Description/Abstract:
Ab-initio phonon calculation for BaHg2(ClO)2 / P4/mbm (127) Phonon band structure, phonon DOS, thermal properties at constant volume, and...
Keyword:
BaHg2(ClO)2
,
P4/mbm (127)
, and
Phonon
Resource Type:
Dataset
Data origin:
simulation
Author:
Atsushi Togo
Date Uploaded:
26/05/2023
421.
Ab-initio phonon calculation for Nb3Tl2Br9 / C2/m (12) / materials id 541709
Description/Abstract:
Ab-initio phonon calculation for Nb3Tl2Br9 / C2/m (12) Phonon band structure, phonon DOS, thermal properties at constant volume, and phon...
Keyword:
C2/m (12)
,
Nb3Tl2Br9
, and
Phonon
Resource Type:
Dataset
Data origin:
simulation
Author:
Atsushi Togo
Date Uploaded:
26/05/2023
422.
Ab-initio phonon calculation for Ba2TmNbO6 / Fm-3m (225) / materials id 12642
Description/Abstract:
Ab-initio phonon calculation for Ba2TmNbO6 / Fm-3m (225) Phonon band structure, phonon DOS, thermal properties at constant volume, and ph...
Keyword:
Ba2TmNbO6
,
Fm-3m (225)
, and
Phonon
Resource Type:
Dataset
Data origin:
simulation
Author:
Atsushi Togo
Date Uploaded:
26/05/2023
423.
Ab-initio phonon calculation for SiC / P3m1 (156) / materials id 571298
Description/Abstract:
Ab-initio phonon calculation for SiC / P3m1 (156) Phonon band structure, phonon DOS, thermal properties at constant volume, and phonon ra...
Keyword:
P3m1 (156)
,
Phonon
, and
SiC
Resource Type:
Dataset
Data origin:
simulation
Author:
Atsushi Togo
Date Uploaded:
26/05/2023
424.
Ab-initio phonon calculation for Pb4SeBr6 / Imm2 (44) / materials id 655489
Description/Abstract:
Ab-initio phonon calculation for Pb4SeBr6 / Imm2 (44) Phonon band structure, phonon DOS, thermal properties at constant volume, and phono...
Keyword:
Imm2 (44)
,
Pb4SeBr6
, and
Phonon
Resource Type:
Dataset
Data origin:
simulation
Author:
Atsushi Togo
Date Uploaded:
26/05/2023
425.
Ab-initio phonon calculation for K3HoSi2O7 / P6_3/mcm (193) / materials id 16596
Description/Abstract:
Ab-initio phonon calculation for K3HoSi2O7 / P6_3/mcm (193) Phonon band structure, phonon DOS, thermal properties at constant volume, and...
Keyword:
K3HoSi2O7
,
P6_3/mcm (193)
, and
Phonon
Resource Type:
Dataset
Data origin:
simulation
Author:
Atsushi Togo
Date Uploaded:
26/05/2023
426.
Ab-initio phonon calculation for Ho3Se3N / C2/c (15) / materials id 607806
Description/Abstract:
Ab-initio phonon calculation for Ho3Se3N / C2/c (15) Phonon band structure, phonon DOS, thermal properties at constant volume, and phonon...
Keyword:
C2/c (15)
,
Ho3Se3N
, and
Phonon
Resource Type:
Dataset
Data origin:
simulation
Author:
Atsushi Togo
Date Uploaded:
26/05/2023
427.
Ab-initio phonon calculation for La2SiO5 / P2_1/c (14) / materials id 5152
Description/Abstract:
Ab-initio phonon calculation for La2SiO5 / P2_1/c (14) Phonon band structure, phonon DOS, thermal properties at constant volume, and phon...
Keyword:
La2SiO5
,
P2_1/c (14)
, and
Phonon
Resource Type:
Dataset
Data origin:
simulation
Author:
Atsushi Togo
Date Uploaded:
26/05/2023
428.
Ab-initio phonon calculation for FeSbS / P2_1/c (14) / materials id 27904
Description/Abstract:
Ab-initio phonon calculation for FeSbS / P2_1/c (14) Phonon band structure, phonon DOS, thermal properties at constant volume, and phonon...
Keyword:
FeSbS
,
P2_1/c (14)
, and
Phonon
Resource Type:
Dataset
Data origin:
simulation
Author:
Atsushi Togo
Date Uploaded:
26/05/2023
429.
Ab-initio phonon calculation for Cs6K3AlSb4 / P6_3/mmc (194) / materials id 17120
Description/Abstract:
Ab-initio phonon calculation for Cs6K3AlSb4 / P6_3/mmc (194) Phonon band structure, phonon DOS, thermal properties at constant volume, an...
Keyword:
Cs6K3AlSb4
,
P6_3/mmc (194)
, and
Phonon
Resource Type:
Dataset
Data origin:
simulation
Author:
Atsushi Togo
Date Uploaded:
26/05/2023
430.
Ab-initio phonon calculation for BaSc3AgS6 / Pnma (62) / materials id 554796
Description/Abstract:
Ab-initio phonon calculation for BaSc3AgS6 / Pnma (62) Phonon band structure, phonon DOS, thermal properties at constant volume, and phon...
Keyword:
BaSc3AgS6
,
Phonon
, and
Pnma (62)
Resource Type:
Dataset
Data origin:
simulation
Author:
Atsushi Togo
Date Uploaded:
26/05/2023
431.
Ab-initio phonon calculation for Tl2PS3 / Pbca (61) / materials id 28217
Description/Abstract:
Ab-initio phonon calculation for Tl2PS3 / Pbca (61) Phonon band structure, phonon DOS, thermal properties at constant volume, and phonon ...
Keyword:
Pbca (61)
,
Phonon
, and
Tl2PS3
Resource Type:
Dataset
Data origin:
simulation
Author:
Atsushi Togo
Date Uploaded:
26/05/2023
432.
Ab-initio phonon calculation for TlSb3(AsS4)2 / Pna2_1 (33) / materials id 558174
Description/Abstract:
Ab-initio phonon calculation for TlSb3(AsS4)2 / Pna2_1 (33) Phonon band structure, phonon DOS, thermal properties at constant volume, and...
Keyword:
Phonon
,
Pna2_1 (33)
, and
TlSb3(AsS4)2
Resource Type:
Dataset
Data origin:
simulation
Author:
Atsushi Togo
Date Uploaded:
26/05/2023
433.
Ab-initio phonon calculation for LiAl5O8 / P4_332 (212) / materials id 530399
Description/Abstract:
Ab-initio phonon calculation for LiAl5O8 / P4_332 (212) Phonon band structure, phonon DOS, thermal properties at constant volume, and pho...
Keyword:
LiAl5O8
,
P4_332 (212)
, and
Phonon
Resource Type:
Dataset
Data origin:
simulation
Author:
Atsushi Togo
Date Uploaded:
26/05/2023
434.
Ab-initio phonon calculation for TbCsZnSe3 / Cmcm (63) / materials id 573710
Description/Abstract:
Ab-initio phonon calculation for TbCsZnSe3 / Cmcm (63) Phonon band structure, phonon DOS, thermal properties at constant volume, and phon...
Keyword:
Cmcm (63)
,
Phonon
, and
TbCsZnSe3
Resource Type:
Dataset
Data origin:
simulation
Author:
Atsushi Togo
Date Uploaded:
26/05/2023
435.
Ab-initio phonon calculation for Sr(InTe2)2 / Cccm (66) / materials id 20397
Description/Abstract:
Ab-initio phonon calculation for Sr(InTe2)2 / Cccm (66) Phonon band structure, phonon DOS, thermal properties at constant volume, and pho...
Keyword:
Cccm (66)
,
Phonon
, and
Sr(InTe2)2
Resource Type:
Dataset
Data origin:
simulation
Author:
Atsushi Togo
Date Uploaded:
26/05/2023
436.
Ab-initio phonon calculation for Ca3(AlN2)2 / P2_1/c (14) / materials id 570505
Description/Abstract:
Ab-initio phonon calculation for Ca3(AlN2)2 / P2_1/c (14) Phonon band structure, phonon DOS, thermal properties at constant volume, and p...
Keyword:
Ca3(AlN2)2
,
P2_1/c (14)
, and
Phonon
Resource Type:
Dataset
Data origin:
simulation
Author:
Atsushi Togo
Date Uploaded:
26/05/2023
437.
Ab-initio phonon calculation for Al5BO9 / Cmc2_1 (36) / materials id 3281
Description/Abstract:
Ab-initio phonon calculation for Al5BO9 / Cmc2_1 (36) Phonon band structure, phonon DOS, thermal properties at constant volume, and phono...
Keyword:
Al5BO9
,
Cmc2_1 (36)
, and
Phonon
Resource Type:
Dataset
Data origin:
simulation
Author:
Atsushi Togo
Date Uploaded:
26/05/2023
438.
Ab-initio phonon calculation for Na2BeB2O5 / C2/c (15) / materials id 16737
Description/Abstract:
Ab-initio phonon calculation for Na2BeB2O5 / C2/c (15) Phonon band structure, phonon DOS, thermal properties at constant volume, and phon...
Keyword:
C2/c (15)
,
Na2BeB2O5
, and
Phonon
Resource Type:
Dataset
Data origin:
simulation
Author:
Atsushi Togo
Date Uploaded:
26/05/2023
439.
Ab-initio phonon calculation for NdBrO / P4/nmm (129) / materials id 23068
Description/Abstract:
Ab-initio phonon calculation for NdBrO / P4/nmm (129) Phonon band structure, phonon DOS, thermal properties at constant volume, and phono...
Keyword:
NdBrO
,
P4/nmm (129)
, and
Phonon
Resource Type:
Dataset
Data origin:
simulation
Author:
Atsushi Togo
Date Uploaded:
26/05/2023
440.
Ab-initio phonon calculation for Ga2(SO4)3 / R-3 (148) / materials id 541451
Description/Abstract:
Ab-initio phonon calculation for Ga2(SO4)3 / R-3 (148) Phonon band structure, phonon DOS, thermal properties at constant volume, and phon...
Keyword:
Ga2(SO4)3
,
Phonon
, and
R-3 (148)
Resource Type:
Dataset
Data origin:
simulation
Author:
Atsushi Togo
Date Uploaded:
26/05/2023
441.
Ab-initio phonon calculation for ThP2O7 / Pa-3 (205) / materials id 5156
Description/Abstract:
Ab-initio phonon calculation for ThP2O7 / Pa-3 (205) Phonon band structure, phonon DOS, thermal properties at constant volume, and phonon...
Keyword:
Pa-3 (205)
,
Phonon
, and
ThP2O7
Resource Type:
Dataset
Data origin:
simulation
Author:
Atsushi Togo
Date Uploaded:
26/05/2023
442.
Ab-initio phonon calculation for LiAlO2 / R-3m (166) / materials id 8001
Description/Abstract:
Ab-initio phonon calculation for LiAlO2 / R-3m (166) Phonon band structure, phonon DOS, thermal properties at constant volume, and phonon...
Keyword:
LiAlO2
,
Phonon
, and
R-3m (166)
Resource Type:
Dataset
Data origin:
simulation
Author:
Atsushi Togo
Date Uploaded:
26/05/2023
443.
Ab-initio phonon calculation for Cs5YO4 / Pmmn (59) / materials id 769228
Description/Abstract:
Ab-initio phonon calculation for Cs5YO4 / Pmmn (59) Phonon band structure, phonon DOS, thermal properties at constant volume, and phonon ...
Keyword:
Cs5YO4
,
Phonon
, and
Pmmn (59)
Resource Type:
Dataset
Data origin:
simulation
Author:
Atsushi Togo
Date Uploaded:
26/05/2023
444.
Ab-initio phonon calculation for ReCl3 / R-3m (166) / materials id 23174
Description/Abstract:
Ab-initio phonon calculation for ReCl3 / R-3m (166) Phonon band structure, phonon DOS, thermal properties at constant volume, and phonon ...
Keyword:
Phonon
,
R-3m (166)
, and
ReCl3
Resource Type:
Dataset
Data origin:
simulation
Author:
Atsushi Togo
Date Uploaded:
26/05/2023
445.
Ab-initio phonon calculation for La2Si2O7 / P2_1/c (14) / materials id 5732
Description/Abstract:
Ab-initio phonon calculation for La2Si2O7 / P2_1/c (14) Phonon band structure, phonon DOS, thermal properties at constant volume, and pho...
Keyword:
La2Si2O7
,
P2_1/c (14)
, and
Phonon
Resource Type:
Dataset
Data origin:
simulation
Author:
Atsushi Togo
Date Uploaded:
26/05/2023
446.
Ab-initio phonon calculation for Ca(BO2)2 / Pccn (56) / materials id 8056
Description/Abstract:
Ab-initio phonon calculation for Ca(BO2)2 / Pccn (56) Phonon band structure, phonon DOS, thermal properties at constant volume, and phono...
Keyword:
Ca(BO2)2
,
Pccn (56)
, and
Phonon
Resource Type:
Dataset
Data origin:
simulation
Author:
Atsushi Togo
Date Uploaded:
26/05/2023
447.
Ab-initio phonon calculation for Na3AsO4 / Pmn2_1 (31) / materials id 756044
Description/Abstract:
Ab-initio phonon calculation for Na3AsO4 / Pmn2_1 (31) Phonon band structure, phonon DOS, thermal properties at constant volume, and phon...
Keyword:
Na3AsO4
,
Phonon
, and
Pmn2_1 (31)
Resource Type:
Dataset
Data origin:
simulation
Author:
Atsushi Togo
Date Uploaded:
26/05/2023
448.
Ab-initio phonon calculation for Rb3Sb2Br9 / P-3m1 (164) / materials id 28222
Description/Abstract:
Ab-initio phonon calculation for Rb3Sb2Br9 / P-3m1 (164) Phonon band structure, phonon DOS, thermal properties at constant volume, and ph...
Keyword:
P-3m1 (164)
,
Phonon
, and
Rb3Sb2Br9
Resource Type:
Dataset
Data origin:
simulation
Author:
Atsushi Togo
Date Uploaded:
26/05/2023
449.
Ab-initio phonon calculation for RbK2BiSe3 / P2_13 (198) / materials id 621964
Description/Abstract:
Ab-initio phonon calculation for RbK2BiSe3 / P2_13 (198) Phonon band structure, phonon DOS, thermal properties at constant volume, and ph...
Keyword:
P2_13 (198)
,
Phonon
, and
RbK2BiSe3
Resource Type:
Dataset
Data origin:
simulation
Author:
Atsushi Togo
Date Uploaded:
26/05/2023
450.
Ab-initio phonon calculation for MgSeO4 / Pnma (62) / materials id 560670
Description/Abstract:
Ab-initio phonon calculation for MgSeO4 / Pnma (62) Phonon band structure, phonon DOS, thermal properties at constant volume, and phonon ...
Keyword:
MgSeO4
,
Phonon
, and
Pnma (62)
Resource Type:
Dataset
Data origin:
simulation
Author:
Atsushi Togo
Date Uploaded:
26/05/2023
451.
Ab-initio phonon calculation for RbHoS2 / R-3m (166) / materials id 9366
Description/Abstract:
Ab-initio phonon calculation for RbHoS2 / R-3m (166) Phonon band structure, phonon DOS, thermal properties at constant volume, and phonon...
Keyword:
Phonon
,
R-3m (166)
, and
RbHoS2
Resource Type:
Dataset
Data origin:
simulation
Author:
Atsushi Togo
Date Uploaded:
26/05/2023
452.
Ab-initio phonon calculation for CsSmZnTe3 / Cmcm (63) / materials id 12343
Description/Abstract:
Ab-initio phonon calculation for CsSmZnTe3 / Cmcm (63) Phonon band structure, phonon DOS, thermal properties at constant volume, and phon...
Keyword:
Cmcm (63)
,
CsSmZnTe3
, and
Phonon
Resource Type:
Dataset
Data origin:
simulation
Author:
Atsushi Togo
Date Uploaded:
26/05/2023
453.
Ab-initio phonon calculation for SrZrSi2O7 / P2_1/c (14) / materials id 17468
Description/Abstract:
Ab-initio phonon calculation for SrZrSi2O7 / P2_1/c (14) Phonon band structure, phonon DOS, thermal properties at constant volume, and ph...
Keyword:
P2_1/c (14)
,
Phonon
, and
SrZrSi2O7
Resource Type:
Dataset
Data origin:
simulation
Author:
Atsushi Togo
Date Uploaded:
26/05/2023
454.
Ab-initio phonon calculation for Rb2NbAgSe4 / Fddd (70) / materials id 9764
Description/Abstract:
Ab-initio phonon calculation for Rb2NbAgSe4 / Fddd (70) Phonon band structure, phonon DOS, thermal properties at constant volume, and pho...
Keyword:
Fddd (70)
,
Phonon
, and
Rb2NbAgSe4
Resource Type:
Dataset
Data origin:
simulation
Author:
Atsushi Togo
Date Uploaded:
26/05/2023
455.
Ab-initio phonon calculation for NaIn(SiO3)2 / C2/c (15) / materials id 6333
Description/Abstract:
Ab-initio phonon calculation for NaIn(SiO3)2 / C2/c (15) Phonon band structure, phonon DOS, thermal properties at constant volume, and ph...
Keyword:
C2/c (15)
,
NaIn(SiO3)2
, and
Phonon
Resource Type:
Dataset
Data origin:
simulation
Author:
Atsushi Togo
Date Uploaded:
26/05/2023
456.
Ab-initio phonon calculation for Na3SiSnBO7 / P2_1/m (11) / materials id 772986
Description/Abstract:
Ab-initio phonon calculation for Na3SiSnBO7 / P2_1/m (11) Phonon band structure, phonon DOS, thermal properties at constant volume, and p...
Keyword:
Na3SiSnBO7
,
P2_1/m (11)
, and
Phonon
Resource Type:
Dataset
Data origin:
simulation
Author:
Atsushi Togo
Date Uploaded:
26/05/2023
457.
Ab-initio phonon calculation for CaMgSiO4 / Pnma (62) / materials id 6493
Description/Abstract:
Ab-initio phonon calculation for CaMgSiO4 / Pnma (62) Phonon band structure, phonon DOS, thermal properties at constant volume, and phono...
Keyword:
CaMgSiO4
,
Phonon
, and
Pnma (62)
Resource Type:
Dataset
Data origin:
simulation
Author:
Atsushi Togo
Date Uploaded:
26/05/2023
458.
Ab-initio phonon calculation for SrTa2Bi2O9 / Cmc2_1 (36) / materials id 23089
Description/Abstract:
Ab-initio phonon calculation for SrTa2Bi2O9 / Cmc2_1 (36) Phonon band structure, phonon DOS, thermal properties at constant volume, and p...
Keyword:
Cmc2_1 (36)
,
Phonon
, and
SrTa2Bi2O9
Resource Type:
Dataset
Data origin:
simulation
Author:
Atsushi Togo
Date Uploaded:
26/05/2023
459.
Ab-initio phonon calculation for Na2GeS3 / P2_1/c (14) / materials id 4068
Description/Abstract:
Ab-initio phonon calculation for Na2GeS3 / P2_1/c (14) Phonon band structure, phonon DOS, thermal properties at constant volume, and phon...
Keyword:
Na2GeS3
,
P2_1/c (14)
, and
Phonon
Resource Type:
Dataset
Data origin:
simulation
Author:
Atsushi Togo
Date Uploaded:
26/05/2023
460.
Ab-initio phonon calculation for PbO / P4/nmm (129) / materials id 19921
Description/Abstract:
Ab-initio phonon calculation for PbO / P4/nmm (129) Phonon band structure, phonon DOS, thermal properties at constant volume, and phonon ...
Keyword:
P4/nmm (129)
,
PbO
, and
Phonon
Resource Type:
Dataset
Data origin:
simulation
Author:
Atsushi Togo
Date Uploaded:
26/05/2023
461.
Ab-initio phonon calculation for ScAgO2 / R-3m (166) / materials id 973185
Description/Abstract:
Ab-initio phonon calculation for ScAgO2 / R-3m (166) Phonon band structure, phonon DOS, thermal properties at constant volume, and phonon...
Keyword:
Phonon
,
R-3m (166)
, and
ScAgO2
Resource Type:
Dataset
Data origin:
simulation
Author:
Atsushi Togo
Date Uploaded:
26/05/2023
462.
Ab-initio phonon calculation for ErGeBiO5 / Pbca (61) / materials id 559109
Description/Abstract:
Ab-initio phonon calculation for ErGeBiO5 / Pbca (61) Phonon band structure, phonon DOS, thermal properties at constant volume, and phono...
Keyword:
ErGeBiO5
,
Pbca (61)
, and
Phonon
Resource Type:
Dataset
Data origin:
simulation
Author:
Atsushi Togo
Date Uploaded:
26/05/2023
463.
Ab-initio phonon calculation for Bi3Se4Br / C2/m (12) / materials id 29857
Description/Abstract:
Ab-initio phonon calculation for Bi3Se4Br / C2/m (12) Phonon band structure, phonon DOS, thermal properties at constant volume, and phono...
Keyword:
Bi3Se4Br
,
C2/m (12)
, and
Phonon
Resource Type:
Dataset
Data origin:
simulation
Author:
Atsushi Togo
Date Uploaded:
26/05/2023
464.
Ab-initio phonon calculation for LaSnF7 / P2_1/c (14) / materials id 18566
Description/Abstract:
Ab-initio phonon calculation for LaSnF7 / P2_1/c (14) Phonon band structure, phonon DOS, thermal properties at constant volume, and phono...
Keyword:
LaSnF7
,
P2_1/c (14)
, and
Phonon
Resource Type:
Dataset
Data origin:
simulation
Author:
Atsushi Togo
Date Uploaded:
26/05/2023
465.
Ab-initio phonon calculation for PrP3(HO2)6 / P-6 (174) / materials id 556063
Description/Abstract:
Ab-initio phonon calculation for PrP3(HO2)6 / P-6 (174) Phonon band structure, phonon DOS, thermal properties at constant volume, and pho...
Keyword:
P-6 (174)
,
Phonon
, and
PrP3(HO2)6
Resource Type:
Dataset
Data origin:
simulation
Author:
Atsushi Togo
Date Uploaded:
26/05/2023
466.
Ab-initio phonon calculation for CdP4 / P2_1/c (14) / materials id 7904
Description/Abstract:
Ab-initio phonon calculation for CdP4 / P2_1/c (14) Phonon band structure, phonon DOS, thermal properties at constant volume, and phonon ...
Keyword:
CdP4
,
P2_1/c (14)
, and
Phonon
Resource Type:
Dataset
Data origin:
simulation
Author:
Atsushi Togo
Date Uploaded:
26/05/2023
467.
Ab-initio phonon calculation for KSi / P-43n (218) / materials id 1217
Description/Abstract:
Ab-initio phonon calculation for KSi / P-43n (218) Phonon band structure, phonon DOS, thermal properties at constant volume, and phonon r...
Keyword:
KSi
,
P-43n (218)
, and
Phonon
Resource Type:
Dataset
Data origin:
simulation
Author:
Atsushi Togo
Date Uploaded:
26/05/2023
468.
Ab-initio phonon calculation for NaNb2AsO8 / P2_1/c (14) / materials id 560032
Description/Abstract:
Ab-initio phonon calculation for NaNb2AsO8 / P2_1/c (14) Phonon band structure, phonon DOS, thermal properties at constant volume, and ph...
Keyword:
NaNb2AsO8
,
P2_1/c (14)
, and
Phonon
Resource Type:
Dataset
Data origin:
simulation
Author:
Atsushi Togo
Date Uploaded:
26/05/2023
469.
Ab-initio phonon calculation for Nd4Re2O11 / P4_2/n (86) / materials id 13758
Description/Abstract:
Ab-initio phonon calculation for Nd4Re2O11 / P4_2/n (86) Phonon band structure, phonon DOS, thermal properties at constant volume, and ph...
Keyword:
Nd4Re2O11
,
P4_2/n (86)
, and
Phonon
Resource Type:
Dataset
Data origin:
simulation
Author:
Atsushi Togo
Date Uploaded:
26/05/2023
470.
Ab-initio phonon calculation for Zn4B6O13 / I-43m (217) / materials id 4812
Description/Abstract:
Ab-initio phonon calculation for Zn4B6O13 / I-43m (217) Phonon band structure, phonon DOS, thermal properties at constant volume, and pho...
Keyword:
I-43m (217)
,
Phonon
, and
Zn4B6O13
Resource Type:
Dataset
Data origin:
simulation
Author:
Atsushi Togo
Date Uploaded:
26/05/2023
471.
Ab-initio phonon calculation for AlF3 / R-3c (167) / materials id 468
Description/Abstract:
Ab-initio phonon calculation for AlF3 / R-3c (167) Phonon band structure, phonon DOS, thermal properties at constant volume, and phonon r...
Keyword:
AlF3
,
Phonon
, and
R-3c (167)
Resource Type:
Dataset
Data origin:
simulation
Author:
Atsushi Togo
Date Uploaded:
26/05/2023
472.
Ab-initio phonon calculation for NaDy3Ti2(SbO7)2 / P2/c (13) / materials id 40478
Description/Abstract:
Ab-initio phonon calculation for NaDy3Ti2(SbO7)2 / P2/c (13) Phonon band structure, phonon DOS, thermal properties at constant volume, an...
Keyword:
NaDy3Ti2(SbO7)2
,
P2/c (13)
, and
Phonon
Resource Type:
Dataset
Data origin:
simulation
Author:
Atsushi Togo
Date Uploaded:
26/05/2023
473.
Ab-initio phonon calculation for CaTm2O4 / Pnma (62) / materials id 754410
Description/Abstract:
Ab-initio phonon calculation for CaTm2O4 / Pnma (62) Phonon band structure, phonon DOS, thermal properties at constant volume, and phonon...
Keyword:
CaTm2O4
,
Phonon
, and
Pnma (62)
Resource Type:
Dataset
Data origin:
simulation
Author:
Atsushi Togo
Date Uploaded:
26/05/2023
474.
Ab-initio phonon calculation for KSbO3 / Pn-3 (201) / materials id 14607
Description/Abstract:
Ab-initio phonon calculation for KSbO3 / Pn-3 (201) Phonon band structure, phonon DOS, thermal properties at constant volume, and phonon ...
Keyword:
KSbO3
,
Phonon
, and
Pn-3 (201)
Resource Type:
Dataset
Data origin:
simulation
Author:
Atsushi Togo
Date Uploaded:
26/05/2023
475.
Ab-initio phonon calculation for Rb2BaNb2Se11 / P2_1/c (14) / materials id 571293
Description/Abstract:
Ab-initio phonon calculation for Rb2BaNb2Se11 / P2_1/c (14) Phonon band structure, phonon DOS, thermal properties at constant volume, and...
Keyword:
P2_1/c (14)
,
Phonon
, and
Rb2BaNb2Se11
Resource Type:
Dataset
Data origin:
simulation
Author:
Atsushi Togo
Date Uploaded:
26/05/2023
476.
Ab-initio phonon calculation for LiAgF2 / C2 (5) / materials id 752767
Description/Abstract:
Ab-initio phonon calculation for LiAgF2 / C2 (5) Phonon band structure, phonon DOS, thermal properties at constant volume, and phonon raw...
Keyword:
C2 (5)
,
LiAgF2
, and
Phonon
Resource Type:
Dataset
Data origin:
simulation
Author:
Atsushi Togo
Date Uploaded:
26/05/2023
477.
Ab-initio phonon calculation for Al2BiS4 / P4/nnc (126) / materials id 557737
Description/Abstract:
Ab-initio phonon calculation for Al2BiS4 / P4/nnc (126) Phonon band structure, phonon DOS, thermal properties at constant volume, and pho...
Keyword:
Al2BiS4
,
P4/nnc (126)
, and
Phonon
Resource Type:
Dataset
Data origin:
simulation
Author:
Atsushi Togo
Date Uploaded:
26/05/2023
478.
Ab-initio phonon calculation for FeBr2 / P-3m1 (164) / materials id 22880
Description/Abstract:
Ab-initio phonon calculation for FeBr2 / P-3m1 (164) Phonon band structure, phonon DOS, thermal properties at constant volume, and phonon...
Keyword:
FeBr2
,
P-3m1 (164)
, and
Phonon
Resource Type:
Dataset
Data origin:
simulation
Author:
Atsushi Togo
Date Uploaded:
26/05/2023
479.
Ab-initio phonon calculation for LiBeP / P4/nmm (129) / materials id 9915
Description/Abstract:
Ab-initio phonon calculation for LiBeP / P4/nmm (129) Phonon band structure, phonon DOS, thermal properties at constant volume, and phono...
Keyword:
LiBeP
,
P4/nmm (129)
, and
Phonon
Resource Type:
Dataset
Data origin:
simulation
Author:
Atsushi Togo
Date Uploaded:
26/05/2023
480.
Ab-initio phonon calculation for K3ErSi3(HO5)2 / Pnma (62) / materials id 758527
Description/Abstract:
Ab-initio phonon calculation for K3ErSi3(HO5)2 / Pnma (62) Phonon band structure, phonon DOS, thermal properties at constant volume, and ...
Keyword:
K3ErSi3(HO5)2
,
Phonon
, and
Pnma (62)
Resource Type:
Dataset
Data origin:
simulation
Author:
Atsushi Togo
Date Uploaded:
26/05/2023
481.
Ab-initio phonon calculation for H5CNO3 / Pccn (56) / materials id 560121
Description/Abstract:
Ab-initio phonon calculation for H5CNO3 / Pccn (56) Phonon band structure, phonon DOS, thermal properties at constant volume, and phonon ...
Keyword:
H5CNO3
,
Pccn (56)
, and
Phonon
Resource Type:
Dataset
Data origin:
simulation
Author:
Atsushi Togo
Date Uploaded:
26/05/2023
482.
Ab-initio phonon calculation for CdAg2GeS4 / Pmn2_1 (31) / materials id 554105
Description/Abstract:
Ab-initio phonon calculation for CdAg2GeS4 / Pmn2_1 (31) Phonon band structure, phonon DOS, thermal properties at constant volume, and ph...
Keyword:
CdAg2GeS4
,
Phonon
, and
Pmn2_1 (31)
Resource Type:
Dataset
Data origin:
simulation
Author:
Atsushi Togo
Date Uploaded:
26/05/2023
483.
Ab-initio phonon calculation for SiO2 / Cmcm (63) / materials id 560973
Description/Abstract:
Ab-initio phonon calculation for SiO2 / Cmcm (63) Phonon band structure, phonon DOS, thermal properties at constant volume, and phonon ra...
Keyword:
Cmcm (63)
,
Phonon
, and
SiO2
Resource Type:
Dataset
Data origin:
simulation
Author:
Atsushi Togo
Date Uploaded:
26/05/2023
484.
Ab-initio phonon calculation for Cs3Li2F5 / Fmm2 (42) / materials id 558728
Description/Abstract:
Ab-initio phonon calculation for Cs3Li2F5 / Fmm2 (42) Phonon band structure, phonon DOS, thermal properties at constant volume, and phono...
Keyword:
Cs3Li2F5
,
Fmm2 (42)
, and
Phonon
Resource Type:
Dataset
Data origin:
simulation
Author:
Atsushi Togo
Date Uploaded:
26/05/2023
485.
Ab-initio phonon calculation for CsLiBr2 / P4/nmm (129) / materials id 23057
Description/Abstract:
Ab-initio phonon calculation for CsLiBr2 / P4/nmm (129) Phonon band structure, phonon DOS, thermal properties at constant volume, and pho...
Keyword:
CsLiBr2
,
P4/nmm (129)
, and
Phonon
Resource Type:
Dataset
Data origin:
simulation
Author:
Atsushi Togo
Date Uploaded:
26/05/2023
486.
Ab-initio phonon calculation for CsAgSe4 / P2_12_12_1 (19) / materials id 18105
Description/Abstract:
Ab-initio phonon calculation for CsAgSe4 / P2_12_12_1 (19) Phonon band structure, phonon DOS, thermal properties at constant volume, and ...
Keyword:
CsAgSe4
,
P2_12_12_1 (19)
, and
Phonon
Resource Type:
Dataset
Data origin:
simulation
Author:
Atsushi Togo
Date Uploaded:
26/05/2023
487.
Ab-initio phonon calculation for Ca12Be17O29 / F-43m (216) / materials id 27407
Description/Abstract:
Ab-initio phonon calculation for Ca12Be17O29 / F-43m (216) Phonon band structure, phonon DOS, thermal properties at constant volume, and ...
Keyword:
Ca12Be17O29
,
F-43m (216)
, and
Phonon
Resource Type:
Dataset
Data origin:
simulation
Author:
Atsushi Togo
Date Uploaded:
26/05/2023
488.
Ab-initio phonon calculation for Cs2H4Pt / P4_2/mnm (136) / materials id 643010
Description/Abstract:
Ab-initio phonon calculation for Cs2H4Pt / P4_2/mnm (136) Phonon band structure, phonon DOS, thermal properties at constant volume, and p...
Keyword:
Cs2H4Pt
,
P4_2/mnm (136)
, and
Phonon
Resource Type:
Dataset
Data origin:
simulation
Author:
Atsushi Togo
Date Uploaded:
26/05/2023
489.
Ab-initio phonon calculation for RbSiBiS4 / P2_1/c (14) / materials id 560051
Description/Abstract:
Ab-initio phonon calculation for RbSiBiS4 / P2_1/c (14) Phonon band structure, phonon DOS, thermal properties at constant volume, and pho...
Keyword:
P2_1/c (14)
,
Phonon
, and
RbSiBiS4
Resource Type:
Dataset
Data origin:
simulation
Author:
Atsushi Togo
Date Uploaded:
26/05/2023
490.
Ab-initio phonon calculation for Nb(PS4)2 / Cmce (64) / materials id 559923
Description/Abstract:
Ab-initio phonon calculation for Nb(PS4)2 / Cmce (64) Phonon band structure, phonon DOS, thermal properties at constant volume, and phono...
Keyword:
Cmce (64)
,
Nb(PS4)2
, and
Phonon
Resource Type:
Dataset
Data origin:
simulation
Author:
Atsushi Togo
Date Uploaded:
26/05/2023
491.
Ab-initio phonon calculation for Al5HO8 / P6_3mc (186) / materials id 626161
Description/Abstract:
Ab-initio phonon calculation for Al5HO8 / P6_3mc (186) Phonon band structure, phonon DOS, thermal properties at constant volume, and phon...
Keyword:
Al5HO8
,
P6_3mc (186)
, and
Phonon
Resource Type:
Dataset
Data origin:
simulation
Author:
Atsushi Togo
Date Uploaded:
26/05/2023
492.
Ab-initio phonon calculation for Ca4PdO6 / R-3c (167) / materials id 10299
Description/Abstract:
Ab-initio phonon calculation for Ca4PdO6 / R-3c (167) Phonon band structure, phonon DOS, thermal properties at constant volume, and phono...
Keyword:
Ca4PdO6
,
Phonon
, and
R-3c (167)
Resource Type:
Dataset
Data origin:
simulation
Author:
Atsushi Togo
Date Uploaded:
26/05/2023
493.
Ab-initio phonon calculation for PbBr2 / P4_2/mnm (136) / materials id 862868
Description/Abstract:
Ab-initio phonon calculation for PbBr2 / P4_2/mnm (136) Phonon band structure, phonon DOS, thermal properties at constant volume, and pho...
Keyword:
P4_2/mnm (136)
,
PbBr2
, and
Phonon
Resource Type:
Dataset
Data origin:
simulation
Author:
Atsushi Togo
Date Uploaded:
26/05/2023
494.
Ab-initio phonon calculation for K2SiF6 / P6_3mc (186) / materials id 13002
Description/Abstract:
Ab-initio phonon calculation for K2SiF6 / P6_3mc (186) Phonon band structure, phonon DOS, thermal properties at constant volume, and phon...
Keyword:
K2SiF6
,
P6_3mc (186)
, and
Phonon
Resource Type:
Dataset
Data origin:
simulation
Author:
Atsushi Togo
Date Uploaded:
26/05/2023
495.
Ab-initio phonon calculation for Th6CoBr15 / Im-3m (229) / materials id 28167
Description/Abstract:
Ab-initio phonon calculation for Th6CoBr15 / Im-3m (229) Phonon band structure, phonon DOS, thermal properties at constant volume, and ph...
Keyword:
Im-3m (229)
,
Phonon
, and
Th6CoBr15
Resource Type:
Dataset
Data origin:
simulation
Author:
Atsushi Togo
Date Uploaded:
26/05/2023
496.
Ab-initio phonon calculation for RbAuI3 / C2/m (12) / materials id 568666
Description/Abstract:
Ab-initio phonon calculation for RbAuI3 / C2/m (12) Phonon band structure, phonon DOS, thermal properties at constant volume, and phonon ...
Keyword:
C2/m (12)
,
Phonon
, and
RbAuI3
Resource Type:
Dataset
Data origin:
simulation
Author:
Atsushi Togo
Date Uploaded:
26/05/2023
497.
Ab-initio phonon calculation for KBF4 / Pnma (62) / materials id 4929
Description/Abstract:
Ab-initio phonon calculation for KBF4 / Pnma (62) Phonon band structure, phonon DOS, thermal properties at constant volume, and phonon ra...
Keyword:
KBF4
,
Phonon
, and
Pnma (62)
Resource Type:
Dataset
Data origin:
simulation
Author:
Atsushi Togo
Date Uploaded:
26/05/2023
498.
Ab-initio phonon calculation for NdBi2ClO4 / P4/mmm (123) / materials id 545529
Description/Abstract:
Ab-initio phonon calculation for NdBi2ClO4 / P4/mmm (123) Phonon band structure, phonon DOS, thermal properties at constant volume, and p...
Keyword:
NdBi2ClO4
,
P4/mmm (123)
, and
Phonon
Resource Type:
Dataset
Data origin:
simulation
Author:
Atsushi Togo
Date Uploaded:
26/05/2023
499.
Ab-initio phonon calculation for CaAl2O4 / P2_1/m (11) / materials id 558636
Description/Abstract:
Ab-initio phonon calculation for CaAl2O4 / P2_1/m (11) Phonon band structure, phonon DOS, thermal properties at constant volume, and phon...
Keyword:
CaAl2O4
,
P2_1/m (11)
, and
Phonon
Resource Type:
Dataset
Data origin:
simulation
Author:
Atsushi Togo
Date Uploaded:
26/05/2023
500.
Ab-initio phonon calculation for HgS / P3_121 (152) / materials id 634
Description/Abstract:
Ab-initio phonon calculation for HgS / P3_121 (152) Phonon band structure, phonon DOS, thermal properties at constant volume, and phonon ...
Keyword:
HgS
,
P3_121 (152)
, and
Phonon
Resource Type:
Dataset
Data origin:
simulation
Author:
Atsushi Togo
Date Uploaded:
26/05/2023
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10,034
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MDR phonon calculation database
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10,034
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Phonon
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10,034
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Creative Commons BY Attribution 4.0 International
10,034
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10,034
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Atsushi Togo
10,034
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10,034
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