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DOE OSTI2020

Materials Data on Dy2P7Rh12 by Materials Project

Dy2Rh12P7 crystallizes in the trigonal P-3 space group. The structure is three-dimensional. Dy is bonded to six equivalent Rh and six equivalent P atoms to form distorted DyP6Rh6 cuboctahedra that share corners with twelve equivalent RhP4 tetrahedra, edges with three equivalent RhP4 tetrahedra, and faces with two equivalent DyP6Rh6 cuboctahedra. All Dy–Rh bond lengths are 3.05 Å. There are three shorter (3.02 Å) and three longer (3.03 Å) Dy–P bond lengths. There are two inequivalent Rh sites. In the first Rh site, Rh is bonded in a 6-coordinate geometry to two equivalent Dy and four equivalent P atoms. There are a spread of Rh–P bond distances ranging from 2.33–2.60 Å. In the second Rh site, Rh is bonded to four P atoms to form distorted RhP4 tetrahedra that share corners with four equivalent DyP6Rh6 cuboctahedra, corners with seven equivalent RhP4 tetrahedra, an edgeedge with one DyP6Rh6 cuboctahedra, and edges with two equivalent RhP4 tetrahedra. There are a spread of Rh–P bond distances ranging from 2.35–2.49 Å. There are two inequivalent P sites. In the first P site, P is bonded in a distorted octahedral geometry to six equivalent Rh atoms. In the second P site, P is bonded in a 9-coordinate geometry to two equivalent Dy and seven Rh atoms.

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DOE OSTI2020

Materials Data on Dy2Fe3Ni by Materials Project

Dy2Fe3Ni is Cubic Laves-derived structured and crystallizes in the trigonal R-3m space group. The structure is three-dimensional. Dy is bonded in a 12-coordinate geometry to nine equivalent Fe and three equivalent Ni atoms. There are six shorter (3.00 Å) and three longer (3.07 Å) Dy–Fe bond lengths. All Dy–Ni bond lengths are 2.98 Å. Fe is bonded to six equivalent Dy, four equivalent Fe, and two equivalent Ni atoms to form FeDy6Fe4Ni2 cuboctahedra that share corners with four equivalent NiDy6Fe6 cuboctahedra, corners with fourteen equivalent FeDy6Fe4Ni2 cuboctahedra, edges with six equivalent FeDy6Fe4Ni2 cuboctahedra, faces with six equivalent NiDy6Fe6 cuboctahedra, and faces with twelve equivalent FeDy6Fe4Ni2 cuboctahedra. All Fe–Fe bond lengths are 2.54 Å. Both Fe–Ni bond lengths are 2.60 Å. Ni is bonded to six equivalent Dy and six equivalent Fe atoms to form NiDy6Fe6 cuboctahedra that share corners with six equivalent NiDy6Fe6 cuboctahedra, corners with twelve equivalent FeDy6Fe4Ni2 cuboctahedra, edges with six equivalent NiDy6Fe6 cuboctahedra, and faces with eighteen equivalent FeDy6Fe4Ni2 cuboctahedra.

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DOE OSTI2020

Materials Data on DyCoGe by Materials Project

DyCoGe crystallizes in the orthorhombic Pnma space group. The structure is three-dimensional. Dy is bonded in a 9-coordinate geometry to four equivalent Co and six equivalent Ge atoms. There are a spread of Dy–Co bond distances ranging from 2.84–2.94 Å. There are a spread of Dy–Ge bond distances ranging from 2.96–3.19 Å. Co is bonded in a 8-coordinate geometry to four equivalent Dy and four equivalent Ge atoms. There are a spread of Co–Ge bond distances ranging from 2.44–2.55 Å. Ge is bonded in a 10-coordinate geometry to six equivalent Dy and four equivalent Co atoms.

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DOE OSTI2020

Materials Data on DyZnSi by Materials Project

DyZnSi is hexagonal omega structure-derived structured and crystallizes in the hexagonal P-6m2 space group. The structure is three-dimensional. Dy is bonded to six equivalent Zn and six equivalent Si atoms to form a mixture of face and edge-sharing DyZn6Si6 cuboctahedra. All Dy–Zn bond lengths are 3.12 Å. All Dy–Si bond lengths are 3.12 Å. Zn is bonded in a distorted trigonal planar geometry to six equivalent Dy and three equivalent Si atoms. All Zn–Si bond lengths are 2.38 Å. Si is bonded in a distorted trigonal planar geometry to six equivalent Dy and three equivalent Zn atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on DyCuGe by Materials Project

DyCuGe is hexagonal omega structure-derived structured and crystallizes in the hexagonal P-6m2 space group. The structure is three-dimensional. Dy is bonded to six equivalent Cu and six equivalent Ge atoms to form a mixture of edge and face-sharing DyCu6Ge6 cuboctahedra. All Dy–Cu bond lengths are 3.07 Å. All Dy–Ge bond lengths are 3.07 Å. Cu is bonded in a 9-coordinate geometry to six equivalent Dy and three equivalent Ge atoms. All Cu–Ge bond lengths are 2.44 Å. Ge is bonded in a 9-coordinate geometry to six equivalent Dy and three equivalent Cu atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on DyNi4Au by Materials Project

DyNi4Au is Hexagonal Laves-derived structured and crystallizes in the cubic F-43m space group. The structure is three-dimensional. Dy is bonded in a 4-coordinate geometry to twelve equivalent Ni and four equivalent Au atoms. All Dy–Ni bond lengths are 2.89 Å. All Dy–Au bond lengths are 3.02 Å. Ni is bonded to three equivalent Dy, six equivalent Ni, and three equivalent Au atoms to form a mixture of face, edge, and corner-sharing NiDy3Ni6Au3 cuboctahedra. There are three shorter (2.45 Å) and three longer (2.47 Å) Ni–Ni bond lengths. All Ni–Au bond lengths are 2.89 Å. Au is bonded in a 4-coordinate geometry to four equivalent Dy and twelve equivalent Ni atoms.

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DOE OSTI2020

Materials Data on DyPPd by Materials Project

DyPdP crystallizes in the orthorhombic Pnma space group. The structure is three-dimensional. Dy is bonded in a 11-coordinate geometry to six equivalent Pd and five equivalent P atoms. There are a spread of Dy–Pd bond distances ranging from 3.03–3.24 Å. There are a spread of Dy–P bond distances ranging from 2.85–2.91 Å. Pd is bonded to six equivalent Dy, two equivalent Pd, and four equivalent P atoms to form a mixture of distorted corner, edge, and face-sharing PdDy6P4Pd2 cuboctahedra. Both Pd–Pd bond lengths are 3.02 Å. There are three shorter (2.56 Å) and one longer (2.73 Å) Pd–P bond lengths. P is bonded in a 9-coordinate geometry to five equivalent Dy and four equivalent Pd atoms.

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DOE OSTI2020

Materials Data on Dy2BiO2 by Materials Project

Dy2BiO2 crystallizes in the tetragonal I4/mmm space group. The structure is three-dimensional. Dy is bonded in a 4-coordinate geometry to four equivalent Bi and four equivalent O atoms. All Dy–Bi bond lengths are 3.58 Å. All Dy–O bond lengths are 2.23 Å. Bi is bonded in a body-centered cubic geometry to eight equivalent Dy atoms. O is bonded to four equivalent Dy atoms to form a mixture of edge and corner-sharing ODy4 tetrahedra.

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DOE OSTI2020

Materials Data on LiDy2Ga by Materials Project

LiDy2Ga 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 Dy atoms. All Li–Dy bond lengths are 3.12 Å. Dy is bonded in a body-centered cubic geometry to four equivalent Li and four equivalent Ga atoms. All Dy–Ga bond lengths are 3.12 Å. Ga is bonded in a body-centered cubic geometry to eight equivalent Dy atoms.

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Materials Data on DyCu4Pd by Materials Project

DyPdCu4 is Hexagonal Laves-derived structured and crystallizes in the cubic F-43m space group. The structure is three-dimensional. Dy is bonded in a 12-coordinate geometry to four equivalent Pd and twelve equivalent Cu atoms. All Dy–Pd bond lengths are 3.06 Å. All Dy–Cu bond lengths are 2.94 Å. Pd is bonded in a 4-coordinate geometry to four equivalent Dy and twelve equivalent Cu atoms. All Pd–Cu bond lengths are 2.93 Å. Cu is bonded to three equivalent Dy, three equivalent Pd, and six equivalent Cu atoms to form a mixture of edge, face, and corner-sharing CuDy3Cu6Pd3 cuboctahedra. There are three shorter (2.49 Å) and three longer (2.52 Å) Cu–Cu bond lengths.

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Materials Data on Dy2ZnAg by Materials Project

Dy2AgZn is Heusler structured and crystallizes in the cubic Fm-3m space group. The structure is three-dimensional. Dy is bonded in a body-centered cubic geometry to four equivalent Ag and four equivalent Zn atoms. All Dy–Ag bond lengths are 3.13 Å. All Dy–Zn bond lengths are 3.13 Å. Ag is bonded in a body-centered cubic geometry to eight equivalent Dy atoms. Zn is bonded in a body-centered cubic geometry to eight equivalent Dy atoms.

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DOE OSTI2020

Materials Data on DySbRh by Materials Project

DyRhSb crystallizes in the orthorhombic Pnma space group. The structure is three-dimensional. Dy is bonded in a 1-coordinate geometry to six equivalent Rh and six equivalent Sb atoms. There are a spread of Dy–Rh bond distances ranging from 3.00–3.35 Å. There are a spread of Dy–Sb bond distances ranging from 3.16–3.31 Å. Rh is bonded in a 10-coordinate geometry to six equivalent Dy and four equivalent Sb atoms. There are a spread of Rh–Sb bond distances ranging from 2.66–2.80 Å. Sb is bonded in a 10-coordinate geometry to six equivalent Dy and four equivalent Rh atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on DySbRh2 by Materials Project

DyRh2Sb is Heusler structured and crystallizes in the cubic Fm-3m space group. The structure is three-dimensional. Dy is bonded in a body-centered cubic geometry to eight equivalent Rh and six equivalent Sb atoms. All Dy–Rh bond lengths are 2.89 Å. All Dy–Sb bond lengths are 3.33 Å. Rh is bonded in a body-centered cubic geometry to four equivalent Dy and four equivalent Sb atoms. All Rh–Sb bond lengths are 2.89 Å. Sb is bonded in a distorted body-centered cubic geometry to six equivalent Dy and eight equivalent Rh atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on Dy3Ge13Ru4 by Materials Project

Dy3Ru4Ge13 crystallizes in the cubic Pm-3n space group. The structure is three-dimensional. Dy is bonded in a 12-coordinate geometry to four equivalent Ru and twelve equivalent Ge atoms. All Dy–Ru bond lengths are 3.22 Å. There are eight shorter (3.18 Å) and four longer (3.23 Å) Dy–Ge bond lengths. Ru is bonded in a 6-coordinate geometry to three equivalent Dy and six equivalent Ge atoms. All Ru–Ge bond lengths are 2.51 Å. There are two inequivalent Ge sites. In the first Ge site, Ge is bonded in a 6-coordinate geometry to three equivalent Dy, two equivalent Ru, and two Ge atoms. There are one shorter (2.72 Å) and one longer (3.10 Å) Ge–Ge bond lengths. In the second Ge site, Ge is bonded in a cuboctahedral geometry to twelve equivalent Ge atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on Na3Dy by Materials Project

Na3Dy is beta Cu3Ti-like structured and crystallizes in the hexagonal P6_3/mmc space group. The structure is three-dimensional. there are two inequivalent Na sites. In the first Na site, Na is bonded to eight Na and four equivalent Dy atoms to form distorted NaNa8Dy4 cuboctahedra that share corners with four equivalent DyNa12 cuboctahedra, corners with fourteen NaNa8Dy4 cuboctahedra, edges with six equivalent DyNa12 cuboctahedra, edges with twelve NaNa8Dy4 cuboctahedra, faces with four equivalent DyNa12 cuboctahedra, and faces with sixteen NaNa8Dy4 cuboctahedra. There are a spread of Na–Na bond distances ranging from 3.56–3.72 Å. There are two shorter (3.63 Å) and two longer (3.64 Å) Na–Dy bond lengths. In the second Na site, Na is bonded to eight equivalent Na and four equivalent Dy atoms to form distorted NaNa8Dy4 cuboctahedra that share corners with four equivalent DyNa12 cuboctahedra, corners with fourteen NaNa8Dy4 cuboctahedra, edges with six equivalent DyNa12 cuboctahedra, edges with twelve equivalent NaNa8Dy4 cuboctahedra, faces with four equivalent DyNa12 cuboctahedra, and faces with sixteen NaNa8Dy4 cuboctahedra. There are two shorter (3.63 Å) and two longer (3.64 Å) Na–Dy bond lengths. Dy is bonded to twelve Na atoms to form DyNa12 cuboctahedra that share corners with six equivalent DyNa12 cuboctahedra, corners with twelve equivalent NaNa8Dy4 cuboctahedra, edges with eighteen NaNa8Dy4 cuboctahedra, faces with eight equivalent DyNa12 cuboctahedra, and faces with twelve NaNa8Dy4 cuboctahedra.

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DOE OSTI2020

Materials Data on Dy2Ge3 by Materials Project

Dy2Ge3 crystallizes in the hexagonal P-6m2 space group. The structure is three-dimensional. Dy is bonded in a 9-coordinate geometry to nine Ge atoms. There are three shorter (3.02 Å) and six longer (3.18 Å) Dy–Ge bond lengths. There are three inequivalent Ge sites. In the first Ge site, Ge is bonded in a 9-coordinate geometry to six equivalent Dy and three equivalent Ge atoms. All Ge–Ge bond lengths are 2.55 Å. In the second Ge site, Ge is bonded in a 6-coordinate geometry to six equivalent Dy atoms. In the third Ge site, Ge is bonded in a 9-coordinate geometry to six equivalent Dy and three equivalent Ge atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on DyFeCu by Materials Project

DyFeCu is Hexagonal Laves-derived structured and crystallizes in the orthorhombic Imma space group. The structure is three-dimensional. Dy is bonded in a 12-coordinate geometry to six equivalent Fe and six equivalent Cu atoms. There are four shorter (3.01 Å) and two longer (3.08 Å) Dy–Fe bond lengths. There are four shorter (2.98 Å) and two longer (3.14 Å) Dy–Cu bond lengths. Fe is bonded to six equivalent Dy, two equivalent Fe, and four equivalent Cu atoms to form FeDy6Fe2Cu4 cuboctahedra that share corners with eight equivalent CuDy6Fe4Cu2 cuboctahedra, corners with ten equivalent FeDy6Fe2Cu4 cuboctahedra, edges with six equivalent FeDy6Fe2Cu4 cuboctahedra, faces with six equivalent FeDy6Fe2Cu4 cuboctahedra, and faces with twelve equivalent CuDy6Fe4Cu2 cuboctahedra. Both Fe–Fe bond lengths are 2.53 Å. All Fe–Cu bond lengths are 2.61 Å. Cu is bonded to six equivalent Dy, four equivalent Fe, and two equivalent Cu atoms to form CuDy6Fe4Cu2 cuboctahedra that share corners with eight equivalent FeDy6Fe2Cu4 cuboctahedra, corners with ten equivalent CuDy6Fe4Cu2 cuboctahedra, edges with six equivalent CuDy6Fe4Cu2 cuboctahedra, faces with six equivalent CuDy6Fe4Cu2 cuboctahedra, and faces with twelve equivalent FeDy6Fe2Cu4 cuboctahedra. Both Cu–Cu bond lengths are 2.55 Å.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on DySbIr by Materials Project

DyIrSb crystallizes in the orthorhombic Pnma space group. The structure is three-dimensional. Dy is bonded in a 1-coordinate geometry to five equivalent Ir and six equivalent Sb atoms. There are a spread of Dy–Ir bond distances ranging from 2.98–3.22 Å. There are a spread of Dy–Sb bond distances ranging from 3.18–3.37 Å. Ir is bonded in a 9-coordinate geometry to five equivalent Dy and four equivalent Sb atoms. There are a spread of Ir–Sb bond distances ranging from 2.68–2.77 Å. Sb is bonded in a 10-coordinate geometry to six equivalent Dy and four equivalent Ir atoms.

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