Engineering Papers⌕ Search

SEARCH · Engineering Papers

Results for “SiAs3”

Search indexed NASA NTRS and DOE OSTI research on propulsion, heat transfer, battery materials and energy systems. Follow report and document links to the original sources.

Quote a phrase for an exact phrase match. Source license links do not imply unrestricted reuse.

3 records
All sourcesNASA NTRSDOE OSTI
DOE OSTI2020

Materials Data on SiAs3 by Materials Project

SiAs3 crystallizes in the hexagonal P6_3/mmc space group. The structure is three-dimensional. Si4+ is bonded to twelve equivalent As+1.33- atoms to form a mixture of distorted corner and face-sharing SiAs12 cuboctahedra. There are six shorter (2.98 Å) and six longer (2.99 Å) Si–As bond lengths. As+1.33- is bonded in a 6-coordinate geometry to four equivalent Si4+ and two equivalent As+1.33- atoms. Both As–As bond lengths are 2.61 Å.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on SiAs3 by Materials Project

SiAs(As)2 crystallizes in the tetragonal I4/mmm space group. The structure is two-dimensional and consists of two As sheets oriented in the (0, 0, 1) direction and two SiAs sheets oriented in the (0, 0, 1) direction. In each As sheet, As+1.33- is bonded in a square co-planar geometry to four equivalent As+1.33- atoms. All As–As bond lengths are 2.65 Å. In each SiAs sheet, Si4+ is bonded in a square co-planar geometry to four equivalent As+1.33- atoms. All Si–As bond lengths are 2.65 Å. As+1.33- is bonded in a square co-planar geometry to four equivalent Si4+ atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on SiAs3 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↗