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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 1,351 records · Page 75
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DOE OSTI2020

Materials Data on Hg by Materials Project

Hg crystallizes in the hexagonal P6/mmm space group. The structure is three-dimensional and consists of one Hg ribbon oriented in the (0, 0, 1) direction and one Hg framework. In the Hg ribbon, Hg is bonded in a linear geometry to two equivalent Hg atoms. Both Hg–Hg bond lengths are 3.29 Å. In the Hg framework, Hg is bonded to five equivalent Hg atoms to form a mixture of edge and corner-sharing HgHg5 trigonal bipyramids. There are three shorter (3.21 Å) and two longer (3.29 Å) Hg–Hg bond lengths.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on Ho2Ge6Pd by Materials Project

Ho2PdGe6 crystallizes in the orthorhombic Amm2 space group. The structure is three-dimensional. there are two inequivalent Ho sites. In the first Ho site, Ho is bonded in a 8-coordinate geometry to four equivalent Pd and ten Ge atoms. All Ho–Pd bond lengths are 3.15 Å. There are a spread of Ho–Ge bond distances ranging from 3.09–3.45 Å. In the second Ho site, Ho is bonded in a 10-coordinate geometry to ten Ge atoms. There are a spread of Ho–Ge bond distances ranging from 2.98–3.14 Å. Pd is bonded in a 9-coordinate geometry to four equivalent Ho and five Ge atoms. There are a spread of Pd–Ge bond distances ranging from 2.43–2.51 Å. There are six inequivalent Ge sites. In the first Ge site, Ge is bonded in a 3-coordinate geometry to two equivalent Ho, two equivalent Pd, and five Ge atoms. There are one shorter (2.51 Å) and four longer (2.87 Å) Ge–Ge bond lengths. In the second Ge site, Ge is bonded in a 7-coordinate geometry to two equivalent Ho and five Ge atoms. All Ge–Ge bond lengths are 2.87 Å. In the third Ge site, Ge is bonded in a 1-coordinate geometry to six Ho, one Pd, and two equivalent Ge atoms. Both Ge–Ge bond lengths are 2.57 Å. In the fourth Ge site, Ge is bonded in a 3-coordinate geometry to two equivalent Ho, two equivalent Pd, and five Ge atoms. The Ge–Ge bond length is 2.51 Å. In the fifth Ge site, Ge is bonded in a 7-coordinate geometry to two equivalent Ho and five Ge atoms. In the sixth Ge site, Ge is bonded in a 8-coordinate geometry to six Ho and two equivalent Ge atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on Li4Yb5Ge4 by Materials Project

Li4Yb5Ge4 crystallizes in the tetragonal I4/m space group. The structure is three-dimensional. Li is bonded in a 3-coordinate geometry to three equivalent Ge atoms. There are two shorter (2.70 Å) and one longer (2.86 Å) Li–Ge bond lengths. There are two inequivalent Yb sites. In the first Yb site, Yb is bonded in a 5-coordinate geometry to five equivalent Ge atoms. There are a spread of Yb–Ge bond distances ranging from 3.09–3.15 Å. In the second Yb site, Yb is bonded in a square co-planar geometry to four equivalent Ge atoms. All Yb–Ge bond lengths are 3.17 Å. Ge is bonded in a 9-coordinate geometry to three equivalent Li and six Yb atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on Np(GePd)2 by Materials Project

Np(PdGe)2 crystallizes in the tetragonal I4/mmm space group. The structure is three-dimensional. Np is bonded in a 8-coordinate geometry to eight equivalent Pd and eight equivalent Ge atoms. All Np–Pd bond lengths are 3.38 Å. All Np–Ge bond lengths are 3.21 Å. Pd is bonded to four equivalent Np and four equivalent Ge atoms to form a mixture of distorted corner, edge, and face-sharing PdNp4Ge4 tetrahedra. All Pd–Ge bond lengths are 2.53 Å. Ge is bonded in a 9-coordinate geometry to four equivalent Np, four equivalent Pd, and one Ge atom. The Ge–Ge bond length is 2.45 Å.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on PrPPd by Materials Project

PrPdP is hexagonal omega structure-derived structured and crystallizes in the hexagonal P6_3/mmc space group. The structure is three-dimensional. Pr is bonded to six equivalent Pd and six equivalent P atoms to form a mixture of edge and face-sharing PrP6Pd6 cuboctahedra. All Pr–Pd bond lengths are 3.16 Å. All Pr–P bond lengths are 3.16 Å. Pd is bonded in a 9-coordinate geometry to six equivalent Pr and three equivalent P atoms. All Pd–P bond lengths are 2.46 Å. P is bonded in a 9-coordinate geometry to six equivalent Pr and three equivalent Pd atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on SmPPd by Materials Project

SmPdP is hexagonal omega structure-derived structured and crystallizes in the hexagonal P6_3/mmc space group. The structure is three-dimensional. Sm is bonded to six equivalent Pd and six equivalent P atoms to form a mixture of edge and face-sharing SmP6Pd6 cuboctahedra. All Sm–Pd bond lengths are 3.11 Å. All Sm–P bond lengths are 3.11 Å. Pd is bonded in a 9-coordinate geometry to six equivalent Sm and three equivalent P atoms. All Pd–P bond lengths are 2.44 Å. P is bonded in a 9-coordinate geometry to six equivalent Sm and three equivalent Pd atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on S by Materials Project

S is alpha Po structured and crystallizes in the cubic Pm-3m space group. The structure is three-dimensional. S is bonded to six equivalent S atoms to form a mixture of edge and corner-sharing SS6 octahedra. The corner-sharing octahedral tilt angles are 0°. All S–S bond lengths are 2.58 Å.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on SrS by Materials Project

SrS is Halite, Rock Salt structured and crystallizes in the cubic Fm-3m space group. The structure is three-dimensional. Sr2+ is bonded to six equivalent S2- atoms to form a mixture of corner and edge-sharing SrS6 octahedra. The corner-sharing octahedral tilt angles are 0°. All Sr–S bond lengths are 3.03 Å. S2- is bonded to six equivalent Sr2+ atoms to form a mixture of corner and edge-sharing SSr6 octahedra. The corner-sharing octahedral tilt angles are 0°.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on Zr5ZnSb3 by Materials Project

Zr5ZnSb3 crystallizes in the hexagonal P6_3/mcm space group. The structure is three-dimensional. there are two inequivalent Zr sites. In the first Zr site, Zr is bonded to two equivalent Zn and five equivalent Sb atoms to form a mixture of distorted edge, face, and corner-sharing ZrZn2Sb5 pentagonal bipyramids. Both Zr–Zn bond lengths are 2.76 Å. There are a spread of Zr–Sb bond distances ranging from 2.97–3.11 Å. In the second Zr site, Zr is bonded in a 6-coordinate geometry to six equivalent Sb atoms. All Zr–Sb bond lengths are 3.07 Å. Zn is bonded to six equivalent Zr atoms to form distorted face-sharing ZnZr6 octahedra. Sb is bonded in a 9-coordinate geometry to nine Zr atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on AlAu by Materials Project

AuAl is Tetraauricupride structured and crystallizes in the cubic Pm-3m space group. The structure is three-dimensional. Au is bonded in a body-centered cubic geometry to eight equivalent Al atoms. All Au–Al bond lengths are 2.79 Å. Al is bonded in a body-centered cubic geometry to eight equivalent Au atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on HfAlAu2 by Materials Project

HfAu2Al is Heusler structured and crystallizes in the cubic Fm-3m space group. The structure is three-dimensional. Hf is bonded in a body-centered cubic geometry to eight equivalent Au atoms. All Hf–Au bond lengths are 2.87 Å. Au is bonded in a body-centered cubic geometry to four equivalent Hf and four equivalent Al atoms. All Au–Al bond lengths are 2.87 Å. Al is bonded in a body-centered cubic geometry to eight equivalent Au atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on ScAlAu2 by Materials Project

ScAu2Al is Heusler structured and crystallizes in the cubic Fm-3m space group. The structure is three-dimensional. Sc is bonded in a body-centered cubic geometry to eight equivalent Au atoms. All Sc–Au bond lengths are 2.86 Å. Au is bonded in a body-centered cubic geometry to four equivalent Sc and four equivalent Al atoms. All Au–Al bond lengths are 2.86 Å. Al is bonded in a body-centered cubic geometry to eight equivalent Au atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on Ca3Al7Cu2 by Materials Project

Ca3Cu2Al7 crystallizes in the trigonal R-3m space group. The structure is three-dimensional. there are two inequivalent Ca sites. In the first Ca site, Ca is bonded in a 6-coordinate geometry to six equivalent Cu and twelve equivalent Al atoms. All Ca–Cu bond lengths are 3.22 Å. All Ca–Al bond lengths are 3.43 Å. In the second Ca site, Ca is bonded in a 12-coordinate geometry to twelve Al atoms. There are a spread of Ca–Al bond distances ranging from 3.26–3.32 Å. Cu is bonded in a 9-coordinate geometry to three equivalent Ca and six equivalent Al atoms. There are three shorter (2.54 Å) and three longer (2.59 Å) Cu–Al bond lengths. There are two inequivalent Al sites. In the first Al site, Al is bonded to six equivalent Ca and six equivalent Al atoms to form AlCa6Al6 cuboctahedra that share corners with twelve equivalent AlCa5Al5Cu2 cuboctahedra, edges with six equivalent AlCa6Al6 cuboctahedra, and faces with eighteen equivalent AlCa5Al5Cu2 cuboctahedra. All Al–Al bond lengths are 2.82 Å. In the second Al site, Al is bonded to five Ca, two equivalent Cu, and five Al atoms to form distorted AlCa5Al5Cu2 cuboctahedra that share corners with seventeen AlCa6Al6 cuboctahedra, edges with eight equivalent AlCa5Al5Cu2 cuboctahedra, and faces with fourteen AlCa6Al6 cuboctahedra. There are two shorter (2.75 Å) and two longer (2.83 Å) Al–Al bond lengths.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on Ca(Al2Cu)4 by Materials Project

Ca(CuAl2)4 crystallizes in the tetragonal I4/mmm space group. The structure is three-dimensional. Ca is bonded in a 12-coordinate geometry to eight equivalent Cu and twelve Al atoms. All Ca–Cu bond lengths are 3.39 Å. There are four shorter (3.09 Å) and eight longer (3.22 Å) Ca–Al bond lengths. Cu is bonded to two equivalent Ca, two equivalent Cu, and eight Al atoms to form a mixture of distorted edge, face, and corner-sharing CuCa2Al8Cu2 cuboctahedra. Both Cu–Cu bond lengths are 2.56 Å. There are four shorter (2.57 Å) and four longer (2.70 Å) Cu–Al bond lengths. There are two inequivalent Al sites. In the first Al site, Al is bonded in a 10-coordinate geometry to one Ca, four equivalent Cu, and five Al atoms. There are a spread of Al–Al bond distances ranging from 2.68–2.82 Å. In the second Al site, Al is bonded in a 12-coordinate geometry to two equivalent Ca, four equivalent Cu, and six Al atoms. Both Al–Al bond lengths are 2.76 Å.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on Ca(MnAl2)4 by Materials Project

Ca(MnAl2)4 crystallizes in the tetragonal I4/mmm space group. The structure is three-dimensional. Ca is bonded in a 4-coordinate geometry to eight equivalent Mn and twelve Al atoms. All Ca–Mn bond lengths are 3.36 Å. There are four shorter (2.92 Å) and eight longer (3.28 Å) Ca–Al bond lengths. Mn is bonded to two equivalent Ca, two equivalent Mn, and eight Al atoms to form distorted MnCa2Mn2Al8 cuboctahedra that share corners with eight equivalent AlCa2Mn4Al6 cuboctahedra, corners with ten equivalent MnCa2Mn2Al8 cuboctahedra, edges with four equivalent MnCa2Mn2Al8 cuboctahedra, edges with four equivalent AlCa2Mn4Al6 cuboctahedra, faces with six equivalent MnCa2Mn2Al8 cuboctahedra, and faces with eight equivalent AlCa2Mn4Al6 cuboctahedra. Both Mn–Mn bond lengths are 2.59 Å. There are four shorter (2.55 Å) and four longer (2.65 Å) Mn–Al bond lengths. There are two inequivalent Al sites. In the first Al site, Al is bonded to two equivalent Ca, four equivalent Mn, and six Al atoms to form distorted AlCa2Mn4Al6 cuboctahedra that share corners with eight equivalent MnCa2Mn2Al8 cuboctahedra, corners with ten equivalent AlCa2Mn4Al6 cuboctahedra, edges with three equivalent AlCa2Mn4Al6 cuboctahedra, edges with four equivalent MnCa2Mn2Al8 cuboctahedra, faces with seven equivalent AlCa2Mn4Al6 cuboctahedra, and faces with eight equivalent MnCa2Mn2Al8 cuboctahedra. There are a spread of Al–Al bond distances ranging from 2.75–2.83 Å. In the second Al site, Al is bonded in a 10-coordinate geometry to one Ca, four equivalent Mn, and five Al atoms. The Al–Al bond length is 2.92 Å.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on CeAl by Materials Project

CeAl is Tetraauricupride structured and crystallizes in the cubic Pm-3m space group. The structure is three-dimensional. Ce is bonded in a body-centered cubic geometry to eight equivalent Al atoms. All Ce–Al bond lengths are 3.18 Å. Al is bonded in a body-centered cubic geometry to eight equivalent Ce atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on YbGa4 by Materials Project

YbGa4 crystallizes in the tetragonal I4/mmm space group. The structure is three-dimensional. Yb is bonded in a 8-coordinate geometry to sixteen Ga atoms. There are eight shorter (3.31 Å) and eight longer (3.45 Å) Yb–Ga bond lengths. There are two inequivalent Ga sites. In the first Ga site, Ga is bonded in a 9-coordinate geometry to four equivalent Yb and five Ga atoms. There are one shorter (2.45 Å) and four longer (2.61 Å) Ga–Ga bond lengths. In the second Ga site, Ga is bonded to four equivalent Yb and eight Ga atoms to form a mixture of distorted face, edge, and corner-sharing GaYb4Ga8 cuboctahedra. All Ga–Ga bond lengths are 3.07 Å.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on Ce3AlN by Materials Project

Ce3AlN is (Cubic) Perovskite structured and crystallizes in the cubic Pm-3m space group. The structure is three-dimensional. Ce is bonded in a linear geometry to four equivalent Al and two equivalent N atoms. All Ce–Al bond lengths are 3.44 Å. Both Ce–N bond lengths are 2.43 Å. Al is bonded to twelve equivalent Ce atoms to form AlCe12 cuboctahedra that share corners with twelve equivalent AlCe12 cuboctahedra, faces with six equivalent AlCe12 cuboctahedra, and faces with eight equivalent NCe6 octahedra. N is bonded to six equivalent Ce atoms to form NCe6 octahedra that share corners with six equivalent NCe6 octahedra and faces with eight equivalent AlCe12 cuboctahedra. The corner-sharing octahedral tilt angles are 0°.

36 MATERIALS SCIENCE↗