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Ab-initio phonon calculation for BaNaP3H3(NO2)3 / C2/m (12) / materials id 866302
Ab-initio phonon calculation for NaLi3GeO4 / I4_1/a (88) / materials id 561254
Ab-initio phonon calculation for CdI2 / P-3m1 (164) / materials id 567442
Ab-initio phonon calculation for SrCa(CO3)2 / Pmc2_1 (26) / materials id 559653
Ab-initio phonon calculation for OsO4 / C2/c (15) / materials id 540783
Ab-initio phonon calculation for CaCO3 / C2 (5) / materials id 561412
Ab-initio phonon calculation for Mg(IO3)2 / P2_1/c (14) / materials id 771040
Ab-initio phonon calculation for SiO2 / Cmcm (63) / materials id 600004
Ab-initio phonon calculation for W6CCl18 / P-62c (190) / materials id 30295
Ab-initio phonon calculation for GaP / F-43m (216) / materials id 2490
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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
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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
10,137
phonopy
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10,137
spglib
10,137
phono3py
103