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MDR phonon calculation database
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Ab-initio phonon calculation for NaMg2H3(SO4)2 / C2/m (12) / materials id 541081
Ab-initio phonon calculation for RbCdBr3 / Pnma (62) / materials id 27400
Ab-initio phonon calculation for K2ZnCl4 / Pna2_1 (33) / materials id 618177
Ab-initio phonon calculation for KErTe2 / R-3m (166) / materials id 9263
Ab-initio phonon calculation for Cs2SnF6 / P-3m1 (164) / materials id 7297
Ab-initio phonon calculation for LiPr(SO4)2 / P2_1/c (14) / materials id 559719
Ab-initio phonon calculation for KPrS2 / R-3m (166) / materials id 15782
Ab-initio phonon calculation for Ba2AlInO5 / P6_3/mmc (194) / materials id 556282
Ab-initio phonon calculation for Ba3(BN2)2 / P2_12_12_1 (19) / materials id 30905
Ab-initio phonon calculation for YNbO4 / C2/c (15) / materials id 5387
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Dataset
10,034
Collection
MDR phonon calculation database
[remove]
10,034
Keyword
Phonon
10,034
P2_1/c (14)
1,072
Pnma (62)
839
C2/c (15)
599
C2/m (12)
368
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NIMS
10,034
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Dataset
10,034
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open
10,034
Rights Statement Sim
Creative Commons BY Attribution 4.0 International
10,034
Data origin
simulation
10,034
Author
Atsushi Togo
10,034
Funder
MEXT
10,034
Software
VASP
10,034
phonopy
10,034
spglib
10,034