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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.

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At least 757 records · Page 42
All sourcesNASA NTRSDOE OSTI
DOE OSTI2020

Materials Data on AlCo3C by Materials Project

Co3AlC is (Cubic) Perovskite structured and crystallizes in the cubic Pm-3m space group. The structure is three-dimensional. Co is bonded in a linear geometry to four equivalent Al and two equivalent C atoms. All Co–Al bond lengths are 2.63 Å. Both Co–C bond lengths are 1.86 Å. Al is bonded to twelve equivalent Co atoms to form AlCo12 cuboctahedra that share corners with twelve equivalent AlCo12 cuboctahedra, faces with six equivalent AlCo12 cuboctahedra, and faces with eight equivalent CCo6 octahedra. C is bonded to six equivalent Co atoms to form CCo6 octahedra that share corners with six equivalent CCo6 octahedra and faces with eight equivalent AlCo12 cuboctahedra. The corner-sharing octahedral tilt angles are 0°.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on Er3AlC by Materials Project

Er3AlC is (Cubic) Perovskite structured and crystallizes in the cubic Pm-3m space group. The structure is three-dimensional and consists of one methane molecule and one Er3Al framework. In the Er3Al framework, Er is bonded in a linear geometry to two equivalent Al atoms. Both Er–Al bond lengths are 2.65 Å. Al is bonded to six equivalent Er atoms to form corner-sharing AlEr6 octahedra. The corner-sharing octahedral tilt angles are 0°.

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DOE OSTI2020

Materials Data on Pr3AlC by Materials Project

Pr3AlC is (Cubic) Perovskite structured and crystallizes in the cubic Pm-3m space group. The structure is three-dimensional. Pr is bonded in a linear geometry to four equivalent Al and two equivalent C atoms. All Pr–Al bond lengths are 3.63 Å. Both Pr–C bond lengths are 2.57 Å. Al is bonded to twelve equivalent Pr atoms to form AlPr12 cuboctahedra that share corners with twelve equivalent AlPr12 cuboctahedra, faces with six equivalent AlPr12 cuboctahedra, and faces with eight equivalent CPr6 octahedra. C is bonded to six equivalent Pr atoms to form CPr6 octahedra that share corners with six equivalent CPr6 octahedra and faces with eight equivalent AlPr12 cuboctahedra. The corner-sharing octahedral tilt angles are 0°.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on Nb3Si by Materials Project

Nb3Si is Uranium Silicide structured and crystallizes in the cubic Pm-3m space group. The structure is three-dimensional. Nb is bonded to eight equivalent Nb and four equivalent Si atoms to form NbNb8Si4 cuboctahedra that share corners with twelve equivalent NbNb8Si4 cuboctahedra, edges with eight equivalent SiNb12 cuboctahedra, edges with sixteen equivalent NbNb8Si4 cuboctahedra, faces with four equivalent SiNb12 cuboctahedra, and faces with fourteen equivalent NbNb8Si4 cuboctahedra. All Nb–Nb bond lengths are 2.89 Å. All Nb–Si bond lengths are 2.89 Å. Si is bonded to twelve equivalent Nb atoms to form SiNb12 cuboctahedra that share corners with twelve equivalent SiNb12 cuboctahedra, edges with twenty-four equivalent NbNb8Si4 cuboctahedra, faces with six equivalent SiNb12 cuboctahedra, and faces with twelve equivalent NbNb8Si4 cuboctahedra.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on AlPt3C by Materials Project

CPt3Al is (Cubic) Perovskite structured and crystallizes in the cubic Pm-3m space group. The structure is three-dimensional and consists of one aluminium molecule and one CPt3 framework. In the CPt3 framework, Pt+0.33+ is bonded in a linear geometry to two equivalent C4- atoms. Both Pt–C bond lengths are 2.09 Å. C4- is bonded to six equivalent Pt+0.33+ atoms to form corner-sharing CPt6 octahedra. The corner-sharing octahedral tilt angles are 0°.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on Tb3AlC by Materials Project

Tb3AlC is (Cubic) Perovskite structured and crystallizes in the cubic Pm-3m space group. The structure is three-dimensional and consists of one methane molecule and one Tb3Al framework. In the Tb3Al framework, Tb is bonded in a linear geometry to two equivalent Al atoms. Both Tb–Al bond lengths are 2.69 Å. Al is bonded to six equivalent Tb atoms to form corner-sharing AlTb6 octahedra. The corner-sharing octahedral tilt angles are 0°.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on BAs by Materials Project

BAs is Zincblende, Sphalerite structured and crystallizes in the cubic F-43m space group. The structure is three-dimensional. B3+ is bonded to four equivalent As3- atoms to form corner-sharing BAs4 tetrahedra. All B–As bond lengths are 2.09 Å. As3- is bonded to four equivalent B3+ atoms to form corner-sharing AsB4 tetrahedra.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on Ba5As3 by Materials Project

Ba5As3 crystallizes in the hexagonal P6_3/mcm space group. The structure is three-dimensional. there are two inequivalent Ba sites. In the first Ba site, Ba is bonded in a distorted T-shaped geometry to three equivalent As atoms. There are two shorter (3.31 Å) and one longer (3.35 Å) Ba–As bond lengths. In the second Ba site, Ba is bonded to six equivalent As atoms to form a mixture of distorted edge, face, and corner-sharing BaAs6 octahedra. The corner-sharing octahedral tilt angles are 34°. All Ba–As bond lengths are 3.53 Å. As is bonded in a 7-coordinate geometry to seven Ba atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on V2AsC by Materials Project

V2CAs is H-Phase structured and crystallizes in the hexagonal P6_3/mmc space group. The structure is three-dimensional. V+3.50+ is bonded to three equivalent C4- and three equivalent As3- atoms to form a mixture of distorted corner, edge, and face-sharing VAs3C3 octahedra. The corner-sharing octahedra tilt angles range from 0–41°. All V–C bond lengths are 2.08 Å. All V–As bond lengths are 2.55 Å. C4- is bonded to six equivalent V+3.50+ atoms to form edge-sharing CV6 octahedra. As3- is bonded in a 6-coordinate geometry to six equivalent V+3.50+ atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on Ca5As3 by Materials Project

Ca5As3 crystallizes in the hexagonal P6_3/mcm space group. The structure is three-dimensional. there are two inequivalent Ca sites. In the first Ca site, Ca is bonded to six equivalent As atoms to form a mixture of distorted edge, face, and corner-sharing CaAs6 octahedra. The corner-sharing octahedral tilt angles are 35°. All Ca–As bond lengths are 3.14 Å. In the second Ca site, Ca is bonded in a 3-coordinate geometry to five equivalent As atoms. There are a spread of Ca–As bond distances ranging from 2.92–3.59 Å. As is bonded in a 9-coordinate geometry to nine Ca atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on GaAs by Materials Project

GaAs is High Pressure Cadmuum Telluride structured and crystallizes in the orthorhombic Pmm2 space group. The structure is three-dimensional. Ga3+ is bonded in a linear geometry to two equivalent As3- atoms. Both Ga–As bond lengths are 2.73 Å. As3- is bonded to two equivalent Ga3+ and four equivalent As3- atoms to form a mixture of edge and corner-sharing AsGa2As4 octahedra. The corner-sharing octahedra tilt angles range from 0–1°. There are two shorter (2.71 Å) and two longer (2.72 Å) As–As bond lengths.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on MnAsRu by Materials Project

MnRuAs crystallizes in the hexagonal P-62m space group. The structure is three-dimensional. Mn is bonded in a 11-coordinate geometry to six equivalent Ru and five As atoms. There are two shorter (2.86 Å) and four longer (2.94 Å) Mn–Ru bond lengths. There are one shorter (2.65 Å) and four longer (2.69 Å) Mn–As bond lengths. Ru is bonded in a 10-coordinate geometry to six equivalent Mn and four As atoms. All Ru–As bond lengths are 2.47 Å. There are two inequivalent As sites. In the first As site, As is bonded in a 9-coordinate geometry to six equivalent Mn and three equivalent Ru atoms. In the second As site, As is bonded in a 9-coordinate geometry to three equivalent Mn and six equivalent Ru atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on FeP by Materials Project

FeP is Modderite structured and crystallizes in the orthorhombic Pnma space group. The structure is three-dimensional. Fe3+ is bonded to six equivalent P3- atoms to form a mixture of distorted edge, face, and corner-sharing FeP6 octahedra. The corner-sharing octahedra tilt angles range from 43–57°. There are a spread of Fe–P bond distances ranging from 2.22–2.33 Å. P3- is bonded in a 6-coordinate geometry to six equivalent Fe3+ atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on TeAs by Materials Project

AsTe is Halite, Rock Salt structured and crystallizes in the cubic Fm-3m space group. The structure is three-dimensional. As2+ is bonded to six equivalent Te2- atoms to form a mixture of corner and edge-sharing AsTe6 octahedra. The corner-sharing octahedral tilt angles are 0°. All As–Te bond lengths are 2.97 Å. Te2- is bonded to six equivalent As2+ atoms to form a mixture of corner and edge-sharing TeAs6 octahedra. The corner-sharing octahedral tilt angles are 0°.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on TiAs by Materials Project

TiAs is Molybdenum Carbide MAX Phase-like structured and crystallizes in the hexagonal P6_3/mmc space group. The structure is three-dimensional. Ti3+ is bonded to six equivalent As3- atoms to form a mixture of face, edge, and corner-sharing TiAs6 octahedra. The corner-sharing octahedral tilt angles are 48°. All Ti–As bond lengths are 2.61 Å. As3- is bonded to six equivalent Ti3+ atoms to form a mixture of distorted edge and corner-sharing AsTi6 pentagonal pyramids.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on ZrAs by Materials Project

ZrAs is Halite, Rock Salt structured and crystallizes in the cubic Fm-3m space group. The structure is three-dimensional. Zr3+ is bonded to six equivalent As3- atoms to form a mixture of edge and corner-sharing ZrAs6 octahedra. The corner-sharing octahedral tilt angles are 0°. All Zr–As bond lengths are 2.74 Å. As3- is bonded to six equivalent Zr3+ atoms to form a mixture of edge and corner-sharing AsZr6 octahedra. The corner-sharing octahedral tilt angles are 0°.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on Co2B4Mo by Materials Project

MoCo2B4 crystallizes in the orthorhombic Immm space group. The structure is three-dimensional. Mo2+ is bonded to twelve B+1.50- atoms to form a mixture of edge and face-sharing MoB12 cuboctahedra. There are eight shorter (2.35 Å) and four longer (2.43 Å) Mo–B bond lengths. Co2+ is bonded in a 7-coordinate geometry to seven B+1.50- atoms. There are a spread of Co–B bond distances ranging from 2.03–2.20 Å. There are two inequivalent B+1.50- sites. In the first B+1.50- site, B+1.50- is bonded in a 9-coordinate geometry to four equivalent Mo2+, two equivalent Co2+, and three B+1.50- atoms. There is two shorter (1.79 Å) and one longer (1.87 Å) B–B bond length. In the second B+1.50- site, B+1.50- is bonded in a 9-coordinate geometry to two equivalent Mo2+, five equivalent Co2+, and two equivalent B+1.50- atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on UCo3B2 by Materials Project

UCo3B2 crystallizes in the hexagonal P6/mmm space group. The structure is three-dimensional. U3+ is bonded in a distorted hexagonal planar geometry to six equivalent B3- atoms. All U–B bond lengths are 2.87 Å. Co1+ is bonded in a square co-planar geometry to four equivalent B3- atoms. All Co–B bond lengths are 2.08 Å. B3- is bonded in a 6-coordinate geometry to three equivalent U3+ and six equivalent Co1+ atoms.

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