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All sourcesNASA NTRSDOE OSTI
DOE OSTI2020

Materials Data on Ti2Co by Materials Project

Ti2Co is Cubic Laves structured and crystallizes in the cubic Fd-3m space group. The structure is three-dimensional. Ti is bonded to six equivalent Ti and six equivalent Co atoms to form a mixture of corner, edge, and face-sharing TiTi6Co6 cuboctahedra. All Ti–Ti bond lengths are 2.50 Å. All Ti–Co bond lengths are 2.94 Å. Co is bonded in a 12-coordinate geometry to twelve equivalent Ti and four equivalent Co atoms. All Co–Co bond lengths are 3.07 Å.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on Ti2Co by Materials Project

Ti2Co crystallizes in the cubic Fd-3m space group. The structure is three-dimensional. there are two inequivalent Ti sites. In the first Ti site, Ti is bonded in a 12-coordinate geometry to six equivalent Co atoms. All Ti–Co bond lengths are 2.49 Å. In the second Ti site, Ti is bonded in a 2-coordinate geometry to four equivalent Co atoms. There are two shorter (2.53 Å) and two longer (2.87 Å) Ti–Co bond lengths. Co is bonded in a 9-coordinate geometry to nine Ti atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on Ti2Co(PO5)2 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↗