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All sourcesNASA NTRSDOE OSTI
DOE OSTI2020

Materials Data on TbSbPd by Materials Project

TbPdSb is hexagonal omega structure-derived structured and crystallizes in the hexagonal P6_3/mmc space group. The structure is three-dimensional. Tb is bonded to six equivalent Pd and six equivalent Sb atoms to form a mixture of edge and face-sharing TbSb6Pd6 cuboctahedra. All Tb–Pd bond lengths are 3.26 Å. All Tb–Sb bond lengths are 3.26 Å. Pd is bonded in a 9-coordinate geometry to six equivalent Tb and three equivalent Sb atoms. All Pd–Sb bond lengths are 2.65 Å. Sb is bonded in a 9-coordinate geometry to six equivalent Tb and three equivalent Pd atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on TbSbPd by Materials Project

TbPdSb crystallizes in the hexagonal P6_3mc space group. The structure is three-dimensional. Tb is bonded in a 12-coordinate geometry to six equivalent Pd and six equivalent Sb atoms. There are three shorter (2.95 Å) and three longer (3.61 Å) Tb–Pd bond lengths. There are three shorter (3.14 Å) and three longer (3.36 Å) Tb–Sb bond lengths. Pd is bonded in a 10-coordinate geometry to six equivalent Tb and four equivalent Sb atoms. There are three shorter (2.77 Å) and one longer (2.95 Å) Pd–Sb bond lengths. Sb is bonded in a 10-coordinate geometry to six equivalent Tb and four equivalent Pd atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on TbSbPd by Materials Project

Computed materials data using density functional theory calculations. These calculations determine the electronic structure of bulk materials by solving approximations to the Schrodinger equation. For more information, see https://materialsproject.org/docs/calculations

36 MATERIALS SCIENCE↗