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At least 1,693 records · Page 94
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DOE OSTI2020

Materials Data on TmLuPd2 by Materials Project

LuTmPd2 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 atoms. All Lu–Pd bond lengths are 2.99 Å. Tm is bonded in a body-centered cubic geometry to eight equivalent Pd atoms. All Tm–Pd bond lengths are 2.99 Å. Pd is bonded in a body-centered cubic geometry to four equivalent Lu and four equivalent Tm atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on TbGa2Pd by Materials Project

TbPdGa2 crystallizes in the orthorhombic Cmcm space group. The structure is three-dimensional. Tb is bonded in a 1-coordinate geometry to five equivalent Pd and ten equivalent Ga atoms. There are a spread of Tb–Pd bond distances ranging from 2.95–3.49 Å. There are a spread of Tb–Ga bond distances ranging from 3.02–3.40 Å. Pd is bonded in a 9-coordinate geometry to five equivalent Tb and six equivalent Ga atoms. There are two shorter (2.68 Å) and four longer (2.69 Å) Pd–Ga bond lengths. Ga is bonded in a 10-coordinate geometry to five equivalent Tb, three equivalent Pd, and two equivalent Ga atoms. There are one shorter (2.60 Å) and one longer (2.67 Å) Ga–Ga bond lengths.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on ScCuPd2 by Materials Project

ScPd2Cu 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 atoms. All Sc–Pd bond lengths are 2.73 Å. Pd is bonded in a body-centered cubic geometry to four equivalent Sc and four equivalent Cu atoms. All Pd–Cu bond lengths are 2.73 Å. Cu is bonded in a distorted body-centered cubic geometry to eight equivalent Pd atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on ScZn2Pd by Materials Project

ScPdZn2 is Heusler structured and crystallizes in the cubic Fm-3m space group. The structure is three-dimensional. Sc is bonded in a distorted body-centered cubic geometry to six equivalent Pd and eight equivalent Zn atoms. All Sc–Pd bond lengths are 3.17 Å. All Sc–Zn bond lengths are 2.75 Å. Pd is bonded in a distorted body-centered cubic geometry to six equivalent Sc and eight equivalent Zn atoms. All Pd–Zn bond lengths are 2.75 Å. Zn is bonded in a body-centered cubic geometry to four equivalent Sc and four equivalent Pd atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on LiHoPd2 by Materials Project

LiHoPd2 is Heusler structured and crystallizes in the cubic Fm-3m space group. The structure is three-dimensional. Li is bonded in a body-centered cubic geometry to eight equivalent Pd atoms. All Li–Pd bond lengths are 2.87 Å. Ho is bonded in a body-centered cubic geometry to eight equivalent Pd atoms. All Ho–Pd bond lengths are 2.87 Å. Pd is bonded in a body-centered cubic geometry to four equivalent Li and four equivalent Ho atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on LiFePd2 by Materials Project

LiFePd2 is Heusler structured and crystallizes in the cubic Fm-3m space group. The structure is three-dimensional. Li is bonded in a body-centered cubic geometry to six equivalent Fe and eight equivalent Pd atoms. All Li–Fe bond lengths are 3.02 Å. All Li–Pd bond lengths are 2.61 Å. Fe is bonded in a distorted body-centered cubic geometry to six equivalent Li and eight equivalent Pd atoms. All Fe–Pd bond lengths are 2.61 Å. Pd is bonded in a body-centered cubic geometry to four equivalent Li and four equivalent Fe atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on LuScPd2 by Materials Project

LuScPd2 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 atoms. All Lu–Pd bond lengths are 2.93 Å. Sc is bonded in a body-centered cubic geometry to eight equivalent Pd atoms. All Sc–Pd bond lengths are 2.93 Å. Pd is bonded in a body-centered cubic geometry to four equivalent Lu and four equivalent Sc atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on SrAsPd by Materials Project

SrPdAs is hexagonal omega structure-derived structured and crystallizes in the hexagonal P6_3/mmc space group. The structure is three-dimensional. Sr is bonded to six equivalent Pd and six equivalent As atoms to form a mixture of edge and face-sharing SrAs6Pd6 cuboctahedra. All Sr–Pd bond lengths are 3.36 Å. All Sr–As bond lengths are 3.36 Å. Pd is bonded in a 9-coordinate geometry to six equivalent Sr and three equivalent As atoms. All Pd–As bond lengths are 2.49 Å. As is bonded in a 9-coordinate geometry to six equivalent Sr and three equivalent Pd atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on BaAsPd by Materials Project

BaPdAs is hexagonal omega structure-derived structured and crystallizes in the hexagonal P-6m2 space group. The structure is three-dimensional. Ba is bonded to six equivalent Pd and six equivalent As atoms to form a mixture of face and edge-sharing BaAs6Pd6 cuboctahedra. All Ba–Pd bond lengths are 3.50 Å. All Ba–As bond lengths are 3.50 Å. Pd is bonded in a 9-coordinate geometry to six equivalent Ba and three equivalent As atoms. All Pd–As bond lengths are 2.54 Å. As is bonded in a 9-coordinate geometry to six equivalent Ba and three equivalent Pd atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on LiAg2Pd by Materials Project

LiPdAg2 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 Ag atoms. All Li–Pd bond lengths are 3.21 Å. All Li–Ag bond lengths are 2.78 Å. Pd is bonded in a 8-coordinate geometry to six equivalent Li and eight equivalent Ag atoms. All Pd–Ag bond lengths are 2.78 Å. Ag 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 Li3Pd by Materials Project

Li3Pd is Uranium Silicide-like structured and crystallizes in the tetragonal I4/mmm space group. The structure is three-dimensional. there are two inequivalent Li sites. In the first Li site, Li is bonded in a 12-coordinate geometry to four equivalent Li and four equivalent Pd atoms. All Li–Li bond lengths are 2.74 Å. All Li–Pd bond lengths are 2.74 Å. In the second Li site, Li is bonded to eight equivalent Li and four equivalent Pd atoms to form distorted LiLi8Pd4 cuboctahedra that share corners with four equivalent LiLi8Pd4 cuboctahedra, corners with eight equivalent PdLi12 cuboctahedra, edges with eight equivalent LiLi8Pd4 cuboctahedra, faces with four equivalent LiLi8Pd4 cuboctahedra, and faces with six equivalent PdLi12 cuboctahedra. All Li–Pd bond lengths are 2.80 Å. Pd is bonded to twelve Li atoms to form PdLi12 cuboctahedra that share corners with four equivalent PdLi12 cuboctahedra, corners with eight equivalent LiLi8Pd4 cuboctahedra, edges with eight equivalent PdLi12 cuboctahedra, faces with four equivalent PdLi12 cuboctahedra, and faces with six equivalent LiLi8Pd4 cuboctahedra.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on HoErPd2 by Materials Project

ErHoPd2 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 Pd atoms. All Er–Pd bond lengths are 3.02 Å. Ho is bonded in a body-centered cubic geometry to eight equivalent Pd atoms. All Ho–Pd bond lengths are 3.02 Å. Pd is bonded in a body-centered cubic geometry to four equivalent Er and four equivalent Ho atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on Nd3Pd by Materials Project

Nd3Pd crystallizes in the tetragonal I4/mmm space group. The structure is three-dimensional. there are two inequivalent Nd sites. In the first Nd site, Nd is bonded to eight Nd and four equivalent Pd atoms to form distorted NdNd8Pd4 cuboctahedra that share corners with twelve equivalent NdNd8Pd4 cuboctahedra, edges with eight equivalent NdNd8Pd4 cuboctahedra, edges with eight equivalent PdNd12 cuboctahedra, faces with four equivalent PdNd12 cuboctahedra, and faces with ten equivalent NdNd8Pd4 cuboctahedra. There are four shorter (3.21 Å) and four longer (3.57 Å) Nd–Nd bond lengths. All Nd–Pd bond lengths are 3.57 Å. In the second Nd site, Nd is bonded in a square co-planar geometry to eight equivalent Nd and four equivalent Pd atoms. All Nd–Pd bond lengths are 3.21 Å. Pd is bonded to twelve Nd atoms to form PdNd12 cuboctahedra that share corners with four equivalent PdNd12 cuboctahedra, edges with eight equivalent PdNd12 cuboctahedra, edges with sixteen equivalent NdNd8Pd4 cuboctahedra, faces with four equivalent PdNd12 cuboctahedra, and faces with eight equivalent NdNd8Pd4 cuboctahedra.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on PrBiPd2 by Materials Project

PrPd2Bi is Heusler structured and crystallizes in the cubic Fm-3m space group. The structure is three-dimensional. Pr is bonded in a body-centered cubic geometry to eight equivalent Pd and six equivalent Bi atoms. All Pr–Pd bond lengths are 3.07 Å. All Pr–Bi bond lengths are 3.55 Å. Pd is bonded in a body-centered cubic geometry to four equivalent Pr and four equivalent Bi atoms. All Pd–Bi bond lengths are 3.07 Å. Bi is bonded in a 8-coordinate geometry to six equivalent Pr and eight equivalent Pd atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on NaSnPd2 by Materials Project

NaPd2Sn is Heusler structured and crystallizes in the cubic Fm-3m space group. The structure is three-dimensional. Na is bonded in a body-centered cubic geometry to eight equivalent Pd and six equivalent Sn atoms. All Na–Pd bond lengths are 2.85 Å. All Na–Sn bond lengths are 3.29 Å. Pd is bonded in a distorted body-centered cubic geometry to four equivalent Na and four equivalent Sn atoms. All Pd–Sn bond lengths are 2.85 Å. Sn is bonded in a 8-coordinate geometry to six equivalent Na and eight equivalent Pd atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on MgPdAu2 by Materials Project

MgPdAu2 is Heusler structured and crystallizes in the cubic Fm-3m space group. The structure is three-dimensional. Mg is bonded in a body-centered cubic geometry to six equivalent Pd and eight equivalent Au atoms. All Mg–Pd bond lengths are 3.26 Å. All Mg–Au bond lengths are 2.82 Å. Pd is bonded in a distorted body-centered cubic geometry to six equivalent Mg and eight equivalent Au atoms. All Pd–Au bond lengths are 2.82 Å. Au is bonded in a body-centered cubic geometry to four equivalent Mg and four equivalent Pd atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on NaTl2Pd by Materials Project

NaPdTl2 is Heusler structured and crystallizes in the cubic Fm-3m space group. The structure is three-dimensional. Na is bonded in a distorted body-centered cubic geometry to six equivalent Pd and eight equivalent Tl atoms. All Na–Pd bond lengths are 3.56 Å. All Na–Tl bond lengths are 3.08 Å. Pd is bonded in a distorted body-centered cubic geometry to six equivalent Na and eight equivalent Tl atoms. All Pd–Tl bond lengths are 3.08 Å. Tl is bonded in a body-centered cubic geometry to four equivalent Na and four equivalent Pd atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on LiLuPd2 by Materials Project

LiLuPd2 is Heusler structured and crystallizes in the cubic Fm-3m space group. The structure is three-dimensional. Li is bonded in a body-centered cubic geometry to eight equivalent Pd atoms. All Li–Pd bond lengths are 2.84 Å. Lu is bonded in a body-centered cubic geometry to eight equivalent Pd atoms. All Lu–Pd bond lengths are 2.84 Å. Pd is bonded in a body-centered cubic geometry to four equivalent Li and four equivalent Lu atoms.

36 MATERIALS SCIENCE↗