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At least 811 records · Page 45
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DOE OSTI2020

Materials Data on ZrAlCu2 by Materials Project

AlCu2Zr is Heusler structured and crystallizes in the cubic Fm-3m space group. The structure is three-dimensional. Zr is bonded in a body-centered cubic geometry to eight equivalent Cu atoms. All Zr–Cu bond lengths are 2.71 Å. Cu is bonded in a body-centered cubic geometry to four equivalent Zr and four equivalent Al atoms. All Cu–Al bond lengths are 2.71 Å. Al is bonded in a distorted body-centered cubic geometry to eight equivalent Cu atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on ZrAlCo2 by Materials Project

Co2ZrAl is Heusler structured and crystallizes in the cubic Fm-3m space group. The structure is three-dimensional. Zr is bonded in a body-centered cubic geometry to eight equivalent Co atoms. All Zr–Co bond lengths are 2.63 Å. Co is bonded in a body-centered cubic geometry to four equivalent Zr and four equivalent Al atoms. All Co–Al bond lengths are 2.63 Å. Al is bonded in a distorted body-centered cubic geometry to eight equivalent Co atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on TmSnPd2 by Materials Project

TmPd2Sn is Heusler structured and crystallizes in the cubic Fm-3m space group. The structure is three-dimensional. Tm is bonded in a body-centered cubic geometry to eight equivalent Pd and six equivalent Sn atoms. All Tm–Pd bond lengths are 2.92 Å. All Tm–Sn bond lengths are 3.37 Å. Pd is bonded in a body-centered cubic geometry to four equivalent Tm and four equivalent Sn atoms. All Pd–Sn bond lengths are 2.92 Å. Sn is bonded in a distorted body-centered cubic geometry to six equivalent Tm and eight equivalent Pd atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on ZrAlNi2 by Materials Project

AlNi2Zr is Heusler structured and crystallizes in the cubic Fm-3m space group. The structure is three-dimensional. Zr is bonded in a body-centered cubic geometry to eight equivalent Ni atoms. All Zr–Ni bond lengths are 2.65 Å. Ni is bonded in a body-centered cubic geometry to four equivalent Zr and four equivalent Al atoms. All Ni–Al bond lengths are 2.65 Å. Al is bonded in a distorted body-centered cubic geometry to eight equivalent Ni atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on YbSnPd2 by Materials Project

YbPd2Sn is Heusler structured and crystallizes in the cubic Fm-3m space group. The structure is three-dimensional. Yb is bonded in a body-centered cubic geometry to eight equivalent Pd and six equivalent Sn atoms. All Yb–Pd bond lengths are 2.91 Å. All Yb–Sn bond lengths are 3.37 Å. Pd is bonded in a body-centered cubic geometry to four equivalent Yb and four equivalent Sn atoms. All Pd–Sn bond lengths are 2.91 Å. Sn is bonded in a distorted body-centered cubic geometry to six equivalent Yb and eight equivalent Pd atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on NbGaCo2 by Materials Project

NbCo2Ga is Heusler structured and crystallizes in the cubic Fm-3m space group. The structure is three-dimensional. Nb is bonded in a body-centered cubic geometry to eight equivalent Co and six equivalent Ga atoms. All Nb–Co bond lengths are 2.59 Å. All Nb–Ga bond lengths are 2.99 Å. Co is bonded in a body-centered cubic geometry to four equivalent Nb and four equivalent Ga atoms. All Co–Ga bond lengths are 2.59 Å. Ga is bonded in a distorted body-centered cubic geometry to six equivalent Nb and eight equivalent Co atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on Cu2NiSn by Materials Project

NiCu2Sn is Heusler structured and crystallizes in the cubic Fm-3m space group. The structure is three-dimensional. Ni is bonded in a distorted body-centered cubic geometry to eight equivalent Cu atoms. All Ni–Cu bond lengths are 2.62 Å. Cu is bonded in a body-centered cubic geometry to four equivalent Ni and four equivalent Sn atoms. All Cu–Sn bond lengths are 2.62 Å. Sn is bonded in a distorted body-centered cubic geometry to eight equivalent Cu atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on ErInCu2 by Materials Project

ErCu2In is Heusler structured and crystallizes in the cubic Fm-3m space group. The structure is three-dimensional. Er is bonded in a body-centered cubic geometry to eight equivalent Cu and six equivalent In atoms. All Er–Cu bond lengths are 2.86 Å. All Er–In bond lengths are 3.30 Å. Cu is bonded in a body-centered cubic geometry to four equivalent Er and four equivalent In atoms. All Cu–In bond lengths are 2.86 Å. In is bonded in a distorted body-centered cubic geometry to six equivalent Er and eight equivalent Cu atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on NbCo2Sn by Materials Project

Co2NbSn is Heusler structured and crystallizes in the cubic Fm-3m space group. The structure is three-dimensional. Nb is bonded in a distorted body-centered cubic geometry to eight equivalent Co and six equivalent Sn atoms. All Nb–Co bond lengths are 2.68 Å. All Nb–Sn bond lengths are 3.09 Å. Co is bonded in a body-centered cubic geometry to four equivalent Nb and four equivalent Sn atoms. All Co–Sn bond lengths are 2.68 Å. Sn is bonded in a distorted body-centered cubic geometry to six equivalent Nb and eight equivalent Co atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on VFe2Si by Materials Project

Fe2VSi 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 Si atoms. All V–Fe bond lengths are 2.44 Å. All V–Si bond lengths are 2.81 Å. Fe is bonded in a body-centered cubic geometry to four equivalent V and four equivalent Si atoms. All Fe–Si bond lengths are 2.44 Å. Si is bonded in a distorted body-centered cubic geometry to six equivalent V and eight equivalent Fe atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on TiCo2Ge by Materials Project

Co2TiGe is Heusler structured and crystallizes in the cubic Fm-3m space group. The structure is three-dimensional. Ti is bonded in a distorted body-centered cubic geometry to eight equivalent Co and six equivalent Ge atoms. All Ti–Co bond lengths are 2.53 Å. All Ti–Ge bond lengths are 2.92 Å. Co is bonded in a body-centered cubic geometry to four equivalent Ti and four equivalent Ge atoms. All Co–Ge bond lengths are 2.53 Å. Ge is bonded in a distorted body-centered cubic geometry to six equivalent Ti and eight equivalent Co atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on MnGeRh2 by Materials Project

Rh2MnGe is Heusler structured and crystallizes in the cubic Fm-3m space group. The structure is three-dimensional. Mn is bonded in a body-centered cubic geometry to eight equivalent Rh atoms. All Mn–Rh bond lengths are 2.64 Å. Rh is bonded in a body-centered cubic geometry to four equivalent Mn and four equivalent Ge atoms. All Rh–Ge bond lengths are 2.64 Å. Ge is bonded in a distorted body-centered cubic geometry to eight equivalent Rh atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on TiAlCu2 by Materials Project

AlCu2Ti is Heusler structured and crystallizes in the cubic Fm-3m space group. The structure is three-dimensional. Ti is bonded in a body-centered cubic geometry to eight equivalent Cu atoms. All Ti–Cu bond lengths are 2.61 Å. Cu is bonded in a body-centered cubic geometry to four equivalent Ti and four equivalent Al atoms. All Cu–Al bond lengths are 2.61 Å. Al is bonded in a body-centered cubic geometry to eight equivalent Cu atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on NbAlNi2 by Materials Project

Ni2NbAl is Heusler structured and crystallizes in the cubic Fm-3m space group. The structure is three-dimensional. Nb is bonded in a body-centered cubic geometry to eight equivalent Ni atoms. All Nb–Ni bond lengths are 2.60 Å. Ni is bonded in a body-centered cubic geometry to four equivalent Nb and four equivalent Al atoms. All Ni–Al bond lengths are 2.60 Å. Al is bonded in a body-centered cubic geometry to eight equivalent Ni atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on CeZrO4 by Materials Project

CeZrO4 crystallizes in the cubic P2_13 space group. The structure is three-dimensional. there are two inequivalent Ce4+ sites. In the first Ce4+ site, Ce4+ is bonded in a body-centered cubic geometry to eight O2- atoms. There are a spread of Ce–O bond distances ranging from 2.29–2.40 Å. In the second Ce4+ site, Ce4+ is bonded in a body-centered cubic geometry to eight O2- atoms. There are a spread of Ce–O bond distances ranging from 2.23–2.47 Å. There are two inequivalent Zr4+ sites. In the first Zr4+ site, Zr4+ is bonded in a body-centered cubic geometry to eight O2- atoms. There are a spread of Zr–O bond distances ranging from 2.17–2.34 Å. In the second Zr4+ site, Zr4+ is bonded in a 7-coordinate geometry to seven O2- atoms. There are a spread of Zr–O bond distances ranging from 2.10–2.24 Å. There are eight inequivalent O2- sites. In the first O2- site, O2- is bonded to two equivalent Ce4+ and two equivalent Zr4+ atoms to form a mixture of edge and corner-sharing OCe2Zr2 tetrahedra. In the second O2- site, O2- is bonded to four Ce4+ atoms to form a mixture of edge and corner-sharing OCe4 tetrahedra. In the third O2- site, O2- is bonded to four Ce4+ atoms to form OCe4 tetrahedra that share corners with sixteen OCe4 tetrahedra and edges with six OCe2Zr2 tetrahedra. In the fourth O2- site, O2- is bonded in a trigonal planar geometry to three equivalent Zr4+ atoms. In the fifth O2- site, O2- is bonded to two Ce4+ and two Zr4+ atoms to form a mixture of distorted edge and corner-sharing OCe2Zr2 tetrahedra. In the sixth O2- site, O2- is bonded to four Zr4+ atoms to form a mixture of edge and corner-sharing OZr4 tetrahedra. In the seventh O2- site, O2- is bonded to two Ce4+ and two Zr4+ atoms to form a mixture of edge and corner-sharing OCe2Zr2 tetrahedra. In the eighth O2- site, O2- is bonded to two equivalent Ce4+ and two equivalent Zr4+ atoms to form a mixture of edge and corner-sharing OCe2Zr2 tetrahedra.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on ScSnPd2 by Materials Project

ScPd2Sn 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 Pd and six equivalent Sn atoms. All Sc–Pd bond lengths are 2.86 Å. All Sc–Sn bond lengths are 3.30 Å. Pd is bonded in a body-centered cubic geometry to four equivalent Sc and four equivalent Sn atoms. All Pd–Sn bond lengths are 2.86 Å. Sn is bonded in a distorted body-centered cubic geometry to six equivalent Sc and eight equivalent Pd atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on LiGa2Rh by Materials Project

LiRhGa2 is Heusler structured and crystallizes in the cubic Fm-3m space group. The structure is three-dimensional. Li is bonded in a distorted body-centered cubic geometry to six equivalent Rh and eight equivalent Ga atoms. All Li–Rh bond lengths are 3.04 Å. All Li–Ga bond lengths are 2.64 Å. Rh is bonded in a distorted body-centered cubic geometry to six equivalent Li and eight equivalent Ga atoms. All Rh–Ga bond lengths are 2.64 Å. Ga is bonded in a body-centered cubic geometry to four equivalent Li and four equivalent Rh atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on MnAlNi2 by Materials Project

Ni2MnAl is Heusler structured and crystallizes in the cubic Fm-3m space group. The structure is three-dimensional. Mn is bonded in a body-centered cubic geometry to eight equivalent Ni atoms. All Mn–Ni bond lengths are 2.50 Å. Ni is bonded in a body-centered cubic geometry to four equivalent Mn and four equivalent Al atoms. All Ni–Al bond lengths are 2.50 Å. Al is bonded in a body-centered cubic geometry to eight equivalent Ni atoms.

36 MATERIALS SCIENCE↗