Lattice thermal conductivity calculation datasets for 103 binary compounds by finite displacement method (PBE)

Atsushi Togo SAMURAI ORCID (National Institute for Materials Science)

Dataset

Browse all datasets
(103 items)

Publisher: National Institute for Materials Science

Rights:

Keyword:

Phono3py input data used to calculate the lattice thermal conductivities in the papers https://doi.org/10.1103/PhysRevB.91.094306 and https://doi.org/10.1103/PhysRevLett.115.205901.

Visit phono3py web site to find how to use this data.

MDR DOI: https://doi.org/10.48505/nims.5823

Related item:

Updated at: 2025-10-27T02:30:20Z