Results for “Ca3CoO6” | Engineering Papers

DOE OSTI2020

Materials Data on Ca3CoO6 by Materials Project

Ca3CoO6 crystallizes in the trigonal R-3c space group. The structure is three-dimensional. Ca is bonded in a 8-coordinate geometry to eight equivalent O atoms. There are a spread of Ca–O bond distances ranging from 2.40–2.57 Å. Co is bonded in an octahedral geometry to six equivalent O atoms. All Co–O bond lengths are 1.88 Å. O is bonded to four equivalent Ca and one Co atom to form a mixture of distorted edge, corner, and face-sharing OCa4Co square pyramids.

36 MATERIALS SCIENCE↗

DOE OSTI2020

Materials Data on Ca3CoO6 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 Ca3CoO6 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 Ca3CoO6 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 Ca3CoO6 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↗