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All sourcesNASA NTRSDOE OSTI
DOE OSTI2020

Materials Data on Sm6InCo2 by Materials Project

Sm6Co2In crystallizes in the orthorhombic Immm space group. The structure is three-dimensional. there are three inequivalent Sm sites. In the first Sm site, Sm is bonded in a 4-coordinate geometry to three Co and one In atom. There are one shorter (2.79 Å) and two longer (2.94 Å) Sm–Co bond lengths. The Sm–In bond length is 3.48 Å. In the second Sm site, Sm is bonded in a 5-coordinate geometry to three Co and two In atoms. There are two shorter (2.95 Å) and one longer (3.21 Å) Sm–Co bond lengths. There are one shorter (3.29 Å) and one longer (3.73 Å) Sm–In bond lengths. In the third Sm site, Sm is bonded in a 4-coordinate geometry to two Co and two In atoms. There are one shorter (2.77 Å) and one longer (3.32 Å) Sm–Co bond lengths. There are one shorter (3.13 Å) and one longer (3.42 Å) Sm–In bond lengths. There are two inequivalent Co sites. In the first Co site, Co is bonded in a 2-coordinate geometry to eight Sm atoms. In the second Co site, Co is bonded in a 9-coordinate geometry to eight Sm and one Co atom. The Co–Co bond length is 2.23 Å. There are two inequivalent In sites. In the first In site, In is bonded in a cuboctahedral geometry to twelve Sm atoms. In the second In site, In is bonded in a body-centered cubic geometry to eight Sm atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on SmInCo2 by Materials Project

SmCo2In crystallizes in the orthorhombic Pmma space group. The structure is three-dimensional. Sm is bonded in a 1-coordinate geometry to seven Co and six equivalent In atoms. There are a spread of Sm–Co bond distances ranging from 2.69–3.13 Å. There are four shorter (3.27 Å) and two longer (3.34 Å) Sm–In bond lengths. There are two inequivalent Co sites. In the first Co site, Co is bonded to four equivalent Sm, six Co, and two equivalent In atoms to form a mixture of edge, corner, and face-sharing CoSm4In2Co6 cuboctahedra. There are four shorter (2.47 Å) and two longer (2.53 Å) Co–Co bond lengths. Both Co–In bond lengths are 2.79 Å. In the second Co site, Co is bonded in a 3-coordinate geometry to three equivalent Sm, four equivalent Co, and two equivalent In atoms. Both Co–In bond lengths are 2.73 Å. In is bonded in a 12-coordinate geometry to six equivalent Sm, four Co, and two equivalent In atoms. Both In–In bond lengths are 3.35 Å.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on Sm2(InCo3)3 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↗
DOE OSTI2020

Materials Data on Sm12InCo6 by Materials Project

Sm12Co6In crystallizes in the cubic Im-3 space group. The structure is three-dimensional. Sm is bonded in a 3-coordinate geometry to three equivalent Co and one In atom. There are one shorter (2.74 Å) and two longer (2.91 Å) Sm–Co bond lengths. The Sm–In bond length is 3.57 Å. Co is bonded in a 2-coordinate geometry to six equivalent Sm and one Co atom. The Co–Co bond length is 2.21 Å. In is bonded in a cuboctahedral geometry to twelve equivalent Sm atoms.

36 MATERIALS SCIENCE↗