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At least 829 records · Page 46
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DOE OSTI2020

Materials Data on AlVCo2 by Materials Project

Co2VAl is Heusler structured and crystallizes in the cubic Fm-3m space group. The structure is three-dimensional. V is bonded in a body-centered cubic geometry to eight equivalent Co atoms. All V–Co bond lengths are 2.49 Å. Co is bonded in a body-centered cubic geometry to four equivalent V and four equivalent Al atoms. All Co–Al bond lengths are 2.49 Å. Al is bonded in a body-centered cubic geometry to eight equivalent Co atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on LuInCu2 by Materials Project

LuInCu2 is Heusler structured and crystallizes in the cubic Fm-3m space group. The structure is three-dimensional. Lu is bonded in a body-centered cubic geometry to eight equivalent Cu and six equivalent In atoms. All Lu–Cu bond lengths are 2.84 Å. All Lu–In bond lengths are 3.28 Å. Cu is bonded in a body-centered cubic geometry to four equivalent Lu and four equivalent In atoms. All Cu–In bond lengths are 2.84 Å. In is bonded in a distorted body-centered cubic geometry to six equivalent Lu and eight equivalent Cu atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on MnSnRh2 by Materials Project

Rh2MnSn 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 2.73 Å. Rh is bonded in a body-centered cubic geometry to four equivalent Mn and four equivalent Sn atoms. All Rh–Sn bond lengths are 2.73 Å. Sn is bonded in a distorted body-centered cubic geometry to eight equivalent Rh atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on MnGePd2 by Materials Project

MnPd2Ge 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 Pd and six equivalent Ge atoms. All Mn–Pd bond lengths are 2.69 Å. All Mn–Ge bond lengths are 3.11 Å. Pd is bonded in a body-centered cubic geometry to four equivalent Mn and four equivalent Ge atoms. All Pd–Ge bond lengths are 2.69 Å. Ge is bonded in a distorted body-centered cubic geometry to six equivalent Mn and eight equivalent Pd atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on Li13In3 by Materials Project

Li13In3 crystallizes in the cubic Fd-3m space group. The structure is three-dimensional. there are four inequivalent Li sites. In the first Li site, Li is bonded in a distorted body-centered cubic geometry to four equivalent Li and four equivalent In atoms. All Li–Li bond lengths are 2.73 Å. All Li–In bond lengths are 2.87 Å. In the second Li site, Li is bonded in a distorted linear geometry to two equivalent In atoms. Both Li–In bond lengths are 2.87 Å. In the third Li site, Li is bonded in a 1-coordinate geometry to seven Li and four In atoms. There are three shorter (2.86 Å) and three longer (2.90 Å) Li–Li bond lengths. There are one shorter (3.01 Å) and three longer (3.24 Å) Li–In bond lengths. In the fourth Li site, Li is bonded in a distorted water-like geometry to four equivalent Li and three In atoms. There are two shorter (2.90 Å) and one longer (3.28 Å) Li–In bond lengths. There are two inequivalent In sites. In the first In site, In is bonded in a distorted body-centered cubic geometry to fourteen Li atoms. In the second In site, In is bonded in a distorted body-centered cubic geometry to fourteen Li atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on MnNi2Sb by Materials Project

Ni2MnSb is Heusler structured and crystallizes in the cubic Fm-3m space group. The structure is three-dimensional. Mn is bonded in a distorted body-centered cubic geometry to eight equivalent Ni and six equivalent Sb atoms. All Mn–Ni bond lengths are 2.62 Å. All Mn–Sb bond lengths are 3.03 Å. Ni is bonded in a body-centered cubic geometry to four equivalent Mn and four equivalent Sb atoms. All Ni–Sb bond lengths are 2.62 Å. Sb is bonded in a distorted body-centered cubic geometry to six equivalent Mn and eight equivalent Ni atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on NbAlCo2 by Materials Project

Co2AlNb 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 atoms. All Nb–Co bond lengths are 2.59 Å. Co is bonded in a body-centered cubic geometry to four equivalent Nb and four equivalent Al atoms. All Co–Al bond lengths are 2.59 Å. Al is bonded in a body-centered cubic geometry to eight equivalent Co atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on LiGa2Pd by Materials Project

LiPdGa2 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 Pd and eight equivalent Ga atoms. All Li–Pd bond lengths are 3.10 Å. All Li–Ga bond lengths are 2.68 Å. Pd is bonded in a distorted body-centered cubic geometry to six equivalent Li and eight equivalent Ga atoms. All Pd–Ga bond lengths are 2.68 Å. Ga is bonded in a body-centered cubic geometry to four equivalent Li and four equivalent Pd atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on LuSnPd2 by Materials Project

LuPd2Sn is Heusler structured and crystallizes in the cubic Fm-3m space group. The structure is three-dimensional. Lu is bonded in a body-centered cubic geometry to eight equivalent Pd and six equivalent Sn atoms. All Lu–Pd bond lengths are 2.91 Å. All Lu–Sn bond lengths are 3.36 Å. Pd is bonded in a body-centered cubic geometry to four equivalent Lu 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 Lu and eight equivalent Pd atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on HfAlCo2 by Materials Project

Co2HfAl 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 Co atoms. All Hf–Co bond lengths are 2.61 Å. Co is bonded in a body-centered cubic geometry to four equivalent Hf and four equivalent Al atoms. All Co–Al bond lengths are 2.61 Å. Al is bonded in a distorted body-centered cubic geometry to eight equivalent Co atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on Li6Nd6Sb(TeO8)3 by Materials Project

Li6Nd6Sb(TeO8)3 crystallizes in the monoclinic C2/c space group. The structure is three-dimensional. there are four inequivalent Li sites. In the first Li site, Li is bonded to four O atoms to form LiO4 tetrahedra that share a cornercorner with one SbO6 octahedra and corners with three TeO6 octahedra. The corner-sharing octahedra tilt angles range from 49–52°. There is three shorter (1.95 Å) and one longer (1.96 Å) Li–O bond length. In the second Li site, Li is bonded to four O atoms to form LiO4 tetrahedra that share corners with four TeO6 octahedra. The corner-sharing octahedral tilt angles are 49°. All Li–O bond lengths are 1.95 Å. In the third Li site, Li is bonded to four O atoms to form LiO4 tetrahedra that share a cornercorner with one SbO6 octahedra and corners with three TeO6 octahedra. The corner-sharing octahedra tilt angles range from 49–52°. There are a spread of Li–O bond distances ranging from 1.94–1.96 Å. In the fourth Li site, Li is bonded to four O atoms to form LiO4 tetrahedra that share corners with two equivalent SbO6 octahedra and corners with two equivalent TeO6 octahedra. The corner-sharing octahedra tilt angles range from 50–52°. There is two shorter (1.95 Å) and two longer (1.96 Å) Li–O bond length. There are four inequivalent Nd sites. In the first Nd site, Nd is bonded in a distorted body-centered cubic geometry to eight O atoms. There are a spread of Nd–O bond distances ranging from 2.44–2.58 Å. In the second Nd site, Nd is bonded in a distorted body-centered cubic geometry to eight O atoms. There are a spread of Nd–O bond distances ranging from 2.41–2.60 Å. In the third Nd site, Nd is bonded in a distorted body-centered cubic geometry to eight O atoms. There are a spread of Nd–O bond distances ranging from 2.40–2.59 Å. In the fourth Nd site, Nd is bonded in a distorted body-centered cubic geometry to eight O atoms. There are a spread of Nd–O bond distances ranging from 2.41–2.59 Å. Sb is bonded to six O atoms to form SbO6 octahedra that share corners with six LiO4 tetrahedra. There are two shorter (2.01 Å) and four longer (2.02 Å) Sb–O bond lengths. There are three inequivalent Te sites. In the first Te site, Te is bonded to six O atoms to form TeO6 octahedra that share corners with six LiO4 tetrahedra. All Te–O bond lengths are 1.96 Å. In the second Te site, Te is bonded to six O atoms to form TeO6 octahedra that share corners with six LiO4 tetrahedra. All Te–O bond lengths are 1.96 Å. In the third Te site, Te is bonded to six O atoms to form TeO6 octahedra that share corners with six LiO4 tetrahedra. All Te–O bond lengths are 1.96 Å. There are twelve inequivalent O sites. In the first O site, O is bonded in a 4-coordinate geometry to one Li, two Nd, and one Te atom. In the second O site, O is bonded in a 4-coordinate geometry to one Li, two Nd, and one Te atom. In the third O site, O is bonded in a 4-coordinate geometry to one Li, two Nd, and one Te atom. In the fourth O site, O is bonded in a 4-coordinate geometry to one Li, two Nd, and one Te atom. In the fifth O site, O is bonded in a 4-coordinate geometry to one Li, two Nd, and one Te atom. In the sixth O site, O is bonded in a 4-coordinate geometry to one Li, two Nd, and one Te atom. In the seventh O site, O is bonded to one Li, two Nd, and one Sb atom to form a mixture of distorted edge and corner-sharing OLiNd2Sb tetrahedra. In the eighth O site, O is bonded in a 4-coordinate geometry to one Li, two Nd, and one Te atom. In the ninth O site, O is bonded in a 4-coordinate geometry to one Li, two Nd, and one Te atom. In the tenth O site, O is bonded in a 4-coordinate geometry to one Li, two Nd, and one Te atom. In the eleventh O site, O is bonded to one Li, two Nd, and one Sb atom to form a mixture of distorted edge and corner-sharing OLiNd2Sb tetrahedra. In the twelfth O site, O is bonded in a 4-coordinate geometry to one Li, two Nd, and one Sb atom.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on TbSnPd2 by Materials Project

Pd2TbSn is Heusler structured and crystallizes in the cubic Fm-3m space group. The structure is three-dimensional. Tb is bonded in a body-centered cubic geometry to eight equivalent Pd and six equivalent Sn atoms. All Tb–Pd bond lengths are 2.95 Å. All Tb–Sn bond lengths are 3.41 Å. Pd is bonded in a body-centered cubic geometry to four equivalent Tb and four equivalent Sn atoms. All Pd–Sn bond lengths are 2.95 Å. Sn is bonded in a distorted body-centered cubic geometry to six equivalent Tb and eight equivalent Pd atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on MnCo2Sb by Materials Project

Co2MnSb is Heusler structured and crystallizes in the cubic Fm-3m space group. The structure is three-dimensional. Mn is bonded in a distorted body-centered cubic geometry to eight equivalent Co and six equivalent Sb atoms. All Mn–Co bond lengths are 2.61 Å. All Mn–Sb bond lengths are 3.01 Å. Co is bonded in a body-centered cubic geometry to four equivalent Mn and four equivalent Sb atoms. All Co–Sb bond lengths are 2.61 Å. Sb is bonded in a distorted body-centered cubic geometry to six equivalent Mn and eight equivalent Co atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on TiAlCo2 by Materials Project

Co2TiAl 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 Co atoms. All Ti–Co bond lengths are 2.53 Å. Co is bonded in a body-centered cubic geometry to four equivalent Ti and four equivalent Al atoms. All Co–Al bond lengths are 2.53 Å. Al is bonded in a body-centered cubic geometry to eight equivalent Co atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on ZrAlPd2 by Materials Project

Pd2ZrAl 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 Pd atoms. All Zr–Pd bond lengths are 2.80 Å. Pd is bonded in a body-centered cubic geometry to four equivalent Zr and four equivalent Al atoms. All Pd–Al bond lengths are 2.80 Å. Al is bonded in a body-centered cubic geometry to eight equivalent Pd atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on LiGa2Ir by Materials Project

LiIrGa2 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 Ir and eight equivalent Ga atoms. All Li–Ir bond lengths are 3.05 Å. All Li–Ga bond lengths are 2.64 Å. Ir is bonded in a distorted body-centered cubic geometry to six equivalent Li and eight equivalent Ga atoms. All Ir–Ga bond lengths are 2.64 Å. Ga is bonded in a body-centered cubic geometry to four equivalent Li and four equivalent Ir atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on MnAlAu2 by Materials Project

Au2MnAl 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 Au atoms. All Mn–Au bond lengths are 2.77 Å. Au is bonded in a body-centered cubic geometry to four equivalent Mn and four equivalent Al atoms. All Au–Al bond lengths are 2.77 Å. Al is bonded in a body-centered cubic geometry to eight equivalent Au atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on MnFe2Si by Materials Project

Fe2MnSi is Heusler structured and crystallizes in the cubic Fm-3m space group. The structure is three-dimensional. Mn is bonded in a distorted body-centered cubic geometry to eight equivalent Fe and six equivalent Si atoms. All Mn–Fe bond lengths are 2.42 Å. All Mn–Si bond lengths are 2.80 Å. Fe is bonded in a body-centered cubic geometry to four equivalent Mn and four equivalent Si atoms. All Fe–Si bond lengths are 2.42 Å. Si is bonded in a distorted body-centered cubic geometry to six equivalent Mn and eight equivalent Fe atoms.

36 MATERIALS SCIENCE↗