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Materials Data on VGaFe2 by Materials Project

Fe2VGa is Heusler structured and crystallizes in the cubic Fm-3m space group. The structure is three-dimensional. V is bonded in a distorted body-centered cubic geometry to eight equivalent Fe and six equivalent Ga atoms. All V–Fe bond lengths are 2.48 Å. All V–Ga bond lengths are 2.86 Å. Fe is bonded in a distorted body-centered cubic geometry to four equivalent V and four equivalent Ga atoms. All Fe–Ga bond lengths are 2.48 Å. Ga is bonded in a distorted body-centered cubic geometry to six equivalent V and eight equivalent Fe atoms.

36 MATERIALS SCIENCE↗

Materials Data on V2GaFe by Materials Project

V2FeGa crystallizes in the orthorhombic Cmm2 space group. The structure is two-dimensional and consists of one V2FeGa sheet oriented in the (0, 0, 1) direction. there are two inequivalent V sites. In the first V site, V is bonded in a 8-coordinate geometry to four equivalent Ga atoms. There are two shorter (2.65 Å) and two longer (2.98 Å) V–Ga bond lengths. In the second V site, V is bonded in a 2-coordinate geometry to four equivalent Fe atoms. There are two shorter (2.48 Å) and two longer (2.83 Å) V–Fe bond lengths. Fe is bonded in a 12-coordinate geometry to four equivalent V, four equivalent Fe, and four equivalent Ga atoms. All Fe–Fe bond lengths are 2.60 Å. There are two shorter (2.51 Å) and two longer (2.85 Å) Fe–Ga bond lengths. Ga is bonded in a 12-coordinate geometry to four equivalent V, four equivalent Fe, and four equivalent Ga atoms. All Ga–Ga bond lengths are 2.60 Å.

36 MATERIALS SCIENCE↗