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DOE OSTI2019

Materials Data on PrV2O2 by Materials Project

PrV2O2 crystallizes in the tetragonal I4_1/amd space group. The structure is three-dimensional. Pr is bonded in a linear geometry to two equivalent O atoms. Both Pr–O bond lengths are 2.31 Å. V is bonded in a 1-coordinate geometry to three equivalent O atoms. There are one shorter (2.03 Å) and two longer (2.35 Å) V–O bond lengths. O is bonded in a distorted rectangular see-saw-like geometry to one Pr and three equivalent V atoms.

36 MATERIALS SCIENCE↗

DOE OSTI2020

Materials Data on PrV2O2 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↗