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DOE OSTI2020

Materials Data on Dy2Co3Ge5 by Materials Project

Dy2Co3Ge5 crystallizes in the monoclinic C2/c space group. The structure is three-dimensional. Dy is bonded in a 1-coordinate geometry to ten Ge atoms. There are a spread of Dy–Ge bond distances ranging from 2.89–3.23 Å. There are two inequivalent Co sites. In the first Co site, Co is bonded in a 12-coordinate geometry to six Ge atoms. There are a spread of Co–Ge bond distances ranging from 2.41–2.71 Å. In the second Co site, Co is bonded in a 5-coordinate geometry to five Ge atoms. There are a spread of Co–Ge bond distances ranging from 2.32–2.42 Å. There are four inequivalent Ge sites. In the first Ge site, Ge is bonded in a 4-coordinate geometry to four equivalent Dy and four equivalent Co atoms. In the second Ge site, Ge is bonded in a 2-coordinate geometry to four equivalent Dy, three Co, and four Ge atoms. There are two shorter (2.66 Å) and two longer (2.86 Å) Ge–Ge bond lengths. In the third Ge site, Ge is bonded in a 9-coordinate geometry to four equivalent Dy, three Co, and two Ge atoms. The Ge–Ge bond length is 2.65 Å. In the fourth Ge site, Ge is bonded in a 5-coordinate geometry to four equivalent Dy, three Co, and four Ge atoms.

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Materials Data on DyCoSi2 by Materials Project

DyCoSi2 crystallizes in the orthorhombic Cmcm space group. The structure is three-dimensional. Dy is bonded in a 4-coordinate geometry to four equivalent Co and ten Si atoms. All Dy–Co bond lengths are 3.07 Å. There are a spread of Dy–Si bond distances ranging from 3.02–3.15 Å. Co is bonded in a 9-coordinate geometry to four equivalent Dy and five Si atoms. There are a spread of Co–Si bond distances ranging from 2.22–2.31 Å. There are two inequivalent Si sites. In the first Si site, Si is bonded in a 12-coordinate geometry to four equivalent Dy and four equivalent Co atoms. In the second Si site, Si is bonded in a 9-coordinate geometry to six equivalent Dy, one Co, and two equivalent Si atoms. Both Si–Si bond lengths are 2.42 Å.

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Materials Data on LiDy3 by Materials Project

LiDy3 is Uranium Silicide structured and crystallizes in the cubic Pm-3m space group. The structure is three-dimensional. Li is bonded to twelve equivalent Dy atoms to form LiDy12 cuboctahedra that share corners with twelve equivalent LiDy12 cuboctahedra, edges with twenty-four equivalent DyLi4Dy8 cuboctahedra, faces with six equivalent LiDy12 cuboctahedra, and faces with twelve equivalent DyLi4Dy8 cuboctahedra. All Li–Dy bond lengths are 3.45 Å. Dy is bonded to four equivalent Li and eight equivalent Dy atoms to form DyLi4Dy8 cuboctahedra that share corners with twelve equivalent DyLi4Dy8 cuboctahedra, edges with eight equivalent LiDy12 cuboctahedra, edges with sixteen equivalent DyLi4Dy8 cuboctahedra, faces with four equivalent LiDy12 cuboctahedra, and faces with fourteen equivalent DyLi4Dy8 cuboctahedra. All Dy–Dy bond lengths are 3.45 Å.

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Materials Data on NdDy3 by Materials Project

Dy3Nd is Uranium Silicide structured and crystallizes in the cubic Pm-3m space group. The structure is three-dimensional. Dy is bonded to eight equivalent Dy and four equivalent Nd atoms to form DyNd4Dy8 cuboctahedra that share corners with twelve equivalent DyNd4Dy8 cuboctahedra, edges with eight equivalent NdDy12 cuboctahedra, edges with sixteen equivalent DyNd4Dy8 cuboctahedra, faces with four equivalent NdDy12 cuboctahedra, and faces with fourteen equivalent DyNd4Dy8 cuboctahedra. All Dy–Dy bond lengths are 3.58 Å. All Dy–Nd bond lengths are 3.58 Å. Nd is bonded to twelve equivalent Dy atoms to form NdDy12 cuboctahedra that share corners with twelve equivalent NdDy12 cuboctahedra, edges with twenty-four equivalent DyNd4Dy8 cuboctahedra, faces with six equivalent NdDy12 cuboctahedra, and faces with twelve equivalent DyNd4Dy8 cuboctahedra.

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Materials Data on PrDy3 by Materials Project

Dy3Pr is Uranium Silicide structured and crystallizes in the cubic Pm-3m space group. The structure is three-dimensional. Dy is bonded to eight equivalent Dy and four equivalent Pr atoms to form DyPr4Dy8 cuboctahedra that share corners with twelve equivalent DyPr4Dy8 cuboctahedra, edges with eight equivalent PrDy12 cuboctahedra, edges with sixteen equivalent DyPr4Dy8 cuboctahedra, faces with four equivalent PrDy12 cuboctahedra, and faces with fourteen equivalent DyPr4Dy8 cuboctahedra. All Dy–Dy bond lengths are 3.59 Å. All Dy–Pr bond lengths are 3.59 Å. Pr is bonded to twelve equivalent Dy atoms to form PrDy12 cuboctahedra that share corners with twelve equivalent PrDy12 cuboctahedra, edges with twenty-four equivalent DyPr4Dy8 cuboctahedra, faces with six equivalent PrDy12 cuboctahedra, and faces with twelve equivalent DyPr4Dy8 cuboctahedra.

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Materials Data on Dy3Y by Materials Project

Dy3Y is Uranium Silicide structured and crystallizes in the cubic Pm-3m space group. The structure is three-dimensional. Dy is bonded to eight equivalent Dy and four equivalent Y atoms to form DyDy8Y4 cuboctahedra that share corners with twelve equivalent DyDy8Y4 cuboctahedra, edges with eight equivalent YDy12 cuboctahedra, edges with sixteen equivalent DyDy8Y4 cuboctahedra, faces with four equivalent YDy12 cuboctahedra, and faces with fourteen equivalent DyDy8Y4 cuboctahedra. All Dy–Dy bond lengths are 3.56 Å. All Dy–Y bond lengths are 3.56 Å. Y is bonded to twelve equivalent Dy atoms to form YDy12 cuboctahedra that share corners with twelve equivalent YDy12 cuboctahedra, edges with twenty-four equivalent DyDy8Y4 cuboctahedra, faces with six equivalent YDy12 cuboctahedra, and faces with twelve equivalent DyDy8Y4 cuboctahedra.

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Materials Data on DyGa3Ru by Materials Project

DyRuGa3 crystallizes in the cubic Pm-3m space group. The structure is three-dimensional. Dy is bonded in a 8-coordinate geometry to four equivalent Ru and ten Ga atoms. All Dy–Ru bond lengths are 3.22 Å. There are eight shorter (2.96 Å) and two longer (3.22 Å) Dy–Ga bond lengths. Ru is bonded to four equivalent Dy and eight equivalent Ga atoms to form distorted RuDy4Ga8 cuboctahedra that share corners with four equivalent RuDy4Ga8 cuboctahedra, edges with four equivalent GaDy6 octahedra, and faces with eight equivalent RuDy4Ga8 cuboctahedra. All Ru–Ga bond lengths are 2.67 Å. There are two inequivalent Ga sites. In the first Ga site, Ga is bonded to six equivalent Dy atoms to form GaDy6 octahedra that share corners with six equivalent GaDy6 octahedra and edges with twelve equivalent RuDy4Ga8 cuboctahedra. The corner-sharing octahedral tilt angles are 0°. In the second Ga site, Ga is bonded in a 9-coordinate geometry to three equivalent Dy, three equivalent Ru, and three equivalent Ga atoms. All Ga–Ga bond lengths are 2.71 Å.

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Materials Data on DyAlCu by Materials Project

DyCuAl crystallizes in the hexagonal P-62m space group. The structure is three-dimensional. Dy is bonded in a 5-coordinate geometry to five Cu and six equivalent Al atoms. There are one shorter (2.91 Å) and four longer (2.93 Å) Dy–Cu bond lengths. There are two shorter (3.19 Å) and four longer (3.24 Å) Dy–Al bond lengths. There are two inequivalent Cu sites. In the first Cu site, Cu is bonded in a 9-coordinate geometry to three equivalent Dy and six equivalent Al atoms. All Cu–Al bond lengths are 2.62 Å. In the second Cu site, Cu is bonded in a 9-coordinate geometry to six equivalent Dy and three equivalent Al atoms. All Cu–Al bond lengths are 2.75 Å. Al is bonded in a 12-coordinate geometry to six equivalent Dy, four Cu, and two equivalent Al atoms. Both Al–Al bond lengths are 2.87 Å.

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Materials Data on DySi3Ir by Materials Project

DyIrSi3 crystallizes in the tetragonal I4mm space group. The structure is three-dimensional. Dy is bonded in a 8-coordinate geometry to five equivalent Ir and twelve Si atoms. There are four shorter (3.34 Å) and one longer (3.38 Å) Dy–Ir bond lengths. There are a spread of Dy–Si bond distances ranging from 3.06–3.39 Å. Ir is bonded in a 5-coordinate geometry to five equivalent Dy and five Si atoms. There are one shorter (2.34 Å) and four longer (2.37 Å) Ir–Si bond lengths. There are two inequivalent Si sites. In the first Si site, Si is bonded in a distorted single-bond geometry to four equivalent Dy, one Ir, and four equivalent Si atoms. All Si–Si bond lengths are 2.57 Å. In the second Si site, Si is bonded in a distorted bent 120 degrees geometry to four equivalent Dy, two equivalent Ir, and two equivalent Si atoms.

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Materials Data on DyGa3Cu by Materials Project

DyCuGa3 crystallizes in the tetragonal I-4m2 space group. The structure is three-dimensional. Dy is bonded in a 8-coordinate geometry to four equivalent Cu and twelve Ga atoms. All Dy–Cu bond lengths are 3.38 Å. There are eight shorter (3.13 Å) and four longer (3.38 Å) Dy–Ga bond lengths. Cu is bonded to four equivalent Dy and eight Ga atoms to form distorted CuDy4Ga8 cuboctahedra that share corners with four equivalent GaDy4Ga4Cu4 cuboctahedra, corners with twelve equivalent CuDy4Ga8 cuboctahedra, edges with two equivalent GaDy4Ga4Cu4 cuboctahedra, faces with four equivalent CuDy4Ga8 cuboctahedra, and faces with four equivalent GaDy4Ga4Cu4 cuboctahedra. There are four shorter (2.52 Å) and four longer (2.88 Å) Cu–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 Dy, two equivalent Cu, and three Ga atoms. There are one shorter (2.44 Å) and two longer (2.52 Å) Ga–Ga bond lengths. In the second Ga site, Ga is bonded to four equivalent Dy, four equivalent Cu, and four equivalent Ga atoms to form GaDy4Ga4Cu4 cuboctahedra that share corners with four equivalent CuDy4Ga8 cuboctahedra, corners with twelve equivalent GaDy4Ga4Cu4 cuboctahedra, edges with two equivalent CuDy4Ga8 cuboctahedra, faces with four equivalent CuDy4Ga8 cuboctahedra, and faces with four equivalent GaDy4Ga4Cu4 cuboctahedra.

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Materials Data on DyCdAu by Materials Project

DyAuCd crystallizes in the hexagonal P-62m space group. The structure is three-dimensional. Dy is bonded in a 11-coordinate geometry to five Au and six equivalent Cd atoms. There are four shorter (3.07 Å) and one longer (3.21 Å) Dy–Au bond lengths. There are two shorter (3.23 Å) and four longer (3.41 Å) Dy–Cd bond lengths. There are two inequivalent Au sites. In the first Au site, Au is bonded in a 9-coordinate geometry to three equivalent Dy and six equivalent Cd atoms. All Au–Cd bond lengths are 2.83 Å. In the second Au site, Au is bonded in a 9-coordinate geometry to six equivalent Dy and three equivalent Cd atoms. All Au–Cd bond lengths are 2.94 Å. Cd is bonded in a 4-coordinate geometry to six equivalent Dy and four Au atoms.

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Materials Data on DySiNi4 by Materials Project

DyNi4Si is Frank-Kasper $\mu$ Phase-derived structured and crystallizes in the orthorhombic Cmmm space group. The structure is three-dimensional. Dy is bonded in a 6-coordinate geometry to fourteen Ni and four equivalent Si atoms. There are a spread of Dy–Ni bond distances ranging from 2.80–3.11 Å. All Dy–Si bond lengths are 3.21 Å. There are two inequivalent Ni sites. In the first Ni site, Ni is bonded in a 12-coordinate geometry to three equivalent Dy, five Ni, and two equivalent Si atoms. There are four shorter (2.46 Å) and one longer (2.57 Å) Ni–Ni bond lengths. Both Ni–Si bond lengths are 2.35 Å. In the second Ni site, Ni is bonded to four equivalent Dy, six Ni, and two equivalent Si atoms to form NiDy4Si2Ni6 cuboctahedra that share corners with four equivalent SiDy4Ni8 cuboctahedra, corners with twelve equivalent NiDy4Si2Ni6 cuboctahedra, edges with four equivalent SiDy4Ni8 cuboctahedra, edges with six equivalent NiDy4Si2Ni6 cuboctahedra, faces with four equivalent SiDy4Ni8 cuboctahedra, and faces with six equivalent NiDy4Si2Ni6 cuboctahedra. Both Ni–Ni bond lengths are 2.54 Å. Both Ni–Si bond lengths are 2.41 Å. Si is bonded to four equivalent Dy and eight Ni atoms to form distorted SiDy4Ni8 cuboctahedra that share corners with eight equivalent NiDy4Si2Ni6 cuboctahedra, corners with eight equivalent SiDy4Ni8 cuboctahedra, edges with two equivalent SiDy4Ni8 cuboctahedra, edges with eight equivalent NiDy4Si2Ni6 cuboctahedra, faces with two equivalent SiDy4Ni8 cuboctahedra, and faces with eight equivalent NiDy4Si2Ni6 cuboctahedra.

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Materials Data on Dy2(Al3Rh)3 by Materials Project

Dy2(RhAl3)3 crystallizes in the orthorhombic Cmcm space group. The structure is three-dimensional. Dy is bonded in a 11-coordinate geometry to eleven Al atoms. There are a spread of Dy–Al bond distances ranging from 3.05–3.13 Å. There are two inequivalent Rh sites. In the first Rh site, Rh is bonded in a 8-coordinate geometry to eight Al atoms. There are a spread of Rh–Al bond distances ranging from 2.56–2.63 Å. In the second Rh site, Rh is bonded in a 8-coordinate geometry to eight Al atoms. There are a spread of Rh–Al bond distances ranging from 2.55–2.61 Å. There are four inequivalent Al sites. In the first Al site, Al is bonded in a 2-coordinate geometry to two equivalent Dy and two equivalent Rh atoms. In the second Al site, Al is bonded in a 3-coordinate geometry to three equivalent Dy and three Rh atoms. In the third Al site, Al is bonded in a 3-coordinate geometry to two equivalent Dy and three Rh atoms. In the fourth Al site, Al is bonded in a 2-coordinate geometry to two equivalent Dy and two equivalent Rh atoms.

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Materials Data on Dy3Tm by Materials Project

TmDy3 is Uranium Silicide structured and crystallizes in the cubic Pm-3m space group. The structure is three-dimensional. Tm is bonded to twelve equivalent Dy atoms to form TmDy12 cuboctahedra that share corners with twelve equivalent TmDy12 cuboctahedra, edges with twenty-four equivalent DyDy8Tm4 cuboctahedra, faces with six equivalent TmDy12 cuboctahedra, and faces with twelve equivalent DyDy8Tm4 cuboctahedra. All Tm–Dy bond lengths are 3.52 Å. Dy is bonded to four equivalent Tm and eight equivalent Dy atoms to form DyDy8Tm4 cuboctahedra that share corners with twelve equivalent DyDy8Tm4 cuboctahedra, edges with eight equivalent TmDy12 cuboctahedra, edges with sixteen equivalent DyDy8Tm4 cuboctahedra, faces with four equivalent TmDy12 cuboctahedra, and faces with fourteen equivalent DyDy8Tm4 cuboctahedra. All Dy–Dy bond lengths are 3.52 Å.

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Materials Data on DyEr by Materials Project

ErDy is Magnesium-derived structured and crystallizes in the hexagonal P-6m2 space group. The structure is three-dimensional. Er is bonded to six equivalent Er and six equivalent Dy atoms to form ErDy6Er6 cuboctahedra that share corners with eighteen equivalent ErDy6Er6 cuboctahedra, edges with six equivalent ErDy6Er6 cuboctahedra, edges with twelve equivalent DyDy6Er6 cuboctahedra, faces with eight equivalent ErDy6Er6 cuboctahedra, and faces with twelve equivalent DyDy6Er6 cuboctahedra. All Er–Er bond lengths are 3.58 Å. All Er–Dy bond lengths are 3.51 Å. Dy is bonded to six equivalent Er and six equivalent Dy atoms to form DyDy6Er6 cuboctahedra that share corners with eighteen equivalent DyDy6Er6 cuboctahedra, edges with six equivalent DyDy6Er6 cuboctahedra, edges with twelve equivalent ErDy6Er6 cuboctahedra, faces with eight equivalent DyDy6Er6 cuboctahedra, and faces with twelve equivalent ErDy6Er6 cuboctahedra. All Dy–Dy bond lengths are 3.58 Å.

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Materials Data on Dy3C4 by Materials Project

Dy3C4 crystallizes in the tetragonal P4/mnc space group. The structure is three-dimensional. there are four inequivalent Dy3+ sites. In the first Dy3+ site, Dy3+ is bonded in a 7-coordinate geometry to seven C+2.25- atoms. There are a spread of Dy–C bond distances ranging from 2.35–2.85 Å. In the second Dy3+ site, Dy3+ is bonded to seven C+2.25- atoms to form distorted DyC7 pentagonal bipyramids that share a cornercorner with one DyC6 octahedra, corners with two equivalent DyC7 pentagonal bipyramids, edges with three DyC6 octahedra, edges with two equivalent DyC7 pentagonal bipyramids, and faces with two equivalent DyC7 pentagonal bipyramids. The corner-sharing octahedral tilt angles are 1°. There are a spread of Dy–C bond distances ranging from 2.50–2.76 Å. In the third Dy3+ site, Dy3+ is bonded to six C+2.25- atoms to form DyC6 octahedra that share corners with two equivalent DyC6 octahedra, corners with four equivalent DyC7 pentagonal bipyramids, and edges with four equivalent DyC7 pentagonal bipyramids. The corner-sharing octahedral tilt angles are 0°. There are two shorter (2.50 Å) and four longer (2.61 Å) Dy–C bond lengths. In the fourth Dy3+ site, Dy3+ is bonded to six C+2.25- atoms to form DyC6 octahedra that share a cornercorner with one DyC6 octahedra and edges with four equivalent DyC7 pentagonal bipyramids. The corner-sharing octahedral tilt angles are 0°. There are a spread of Dy–C bond distances ranging from 2.34–2.64 Å. There are seven inequivalent C+2.25- sites. In the first C+2.25- site, C+2.25- is bonded to six Dy3+ atoms to form a mixture of edge and corner-sharing CDy6 octahedra. The corner-sharing octahedra tilt angles range from 0–85°. In the second C+2.25- site, C+2.25- is bonded in a 2-coordinate geometry to four equivalent Dy3+ and two equivalent C+2.25- atoms. Both C–C bond lengths are 1.35 Å. In the third C+2.25- site, C+2.25- is bonded to six Dy3+ atoms to form a mixture of edge and corner-sharing CDy6 octahedra. The corner-sharing octahedral tilt angles are 0°. In the fourth C+2.25- site, C+2.25- is bonded to six Dy3+ atoms to form a mixture of edge and corner-sharing CDy6 octahedra. The corner-sharing octahedral tilt angles are 0°. Both C–Dy bond lengths are 2.35 Å. In the fifth C+2.25- site, C+2.25- is bonded to six Dy3+ atoms to form a mixture of edge and corner-sharing CDy6 octahedra. The corner-sharing octahedral tilt angles are 0°. There are a spread of C–Dy bond distances ranging from 2.35–2.64 Å. In the sixth C+2.25- site, C+2.25- is bonded in a 6-coordinate geometry to five Dy3+ and one C+2.25- atom. The C–C bond length is 1.31 Å. In the seventh C+2.25- site, C+2.25- is bonded to five Dy3+ and one C+2.25- atom to form a mixture of edge and corner-sharing CDy5C octahedra. The corner-sharing octahedra tilt angles range from 4–85°.

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Materials Data on DyPa by Materials Project

PaDy crystallizes in the hexagonal P-6m2 space group. The structure is three-dimensional. Pa is bonded to six equivalent Pa and six equivalent Dy atoms to form PaDy6Pa6 cuboctahedra that share corners with eighteen equivalent PaDy6Pa6 cuboctahedra, edges with six equivalent PaDy6Pa6 cuboctahedra, edges with twelve equivalent DyDy6Pa6 cuboctahedra, faces with eight equivalent PaDy6Pa6 cuboctahedra, and faces with twelve equivalent DyDy6Pa6 cuboctahedra. All Pa–Pa bond lengths are 3.30 Å. All Pa–Dy bond lengths are 3.46 Å. Dy is bonded to six equivalent Pa and six equivalent Dy atoms to form DyDy6Pa6 cuboctahedra that share corners with eighteen equivalent DyDy6Pa6 cuboctahedra, edges with six equivalent DyDy6Pa6 cuboctahedra, edges with twelve equivalent PaDy6Pa6 cuboctahedra, faces with eight equivalent DyDy6Pa6 cuboctahedra, and faces with twelve equivalent PaDy6Pa6 cuboctahedra. All Dy–Dy bond lengths are 3.30 Å.

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Materials Data on DyZnNi by Materials Project

DyNiZn crystallizes in the hexagonal P-62m space group. The structure is three-dimensional. Dy is bonded in a 11-coordinate geometry to five Ni and six equivalent Zn atoms. There are four shorter (2.82 Å) and one longer (2.90 Å) Dy–Ni bond lengths. There are two shorter (3.06 Å) and four longer (3.14 Å) Dy–Zn bond lengths. There are two inequivalent Ni sites. In the first Ni site, Ni is bonded in a 9-coordinate geometry to three equivalent Dy and six equivalent Zn atoms. All Ni–Zn bond lengths are 2.53 Å. In the second Ni site, Ni is bonded in a 9-coordinate geometry to six equivalent Dy and three equivalent Zn atoms. All Ni–Zn bond lengths are 2.71 Å. Zn is bonded in a 12-coordinate geometry to six equivalent Dy, four Ni, and two equivalent Zn atoms. Both Zn–Zn bond lengths are 2.95 Å.

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