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DOE OSTI2020

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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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.

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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.

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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.

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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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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.

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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.

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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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Materials Data on DyCoNi by Materials Project

DyCoNi 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 Co and six equivalent Ni atoms. There are two shorter (2.94 Å) and four longer (2.95 Å) Dy–Co bond lengths. There are four shorter (2.93 Å) and two longer (2.98 Å) Dy–Ni bond lengths. Co is bonded to six equivalent Dy, two equivalent Co, and four equivalent Ni atoms to form CoDy6Co2Ni4 cuboctahedra that share corners with eight equivalent NiDy6Co4Ni2 cuboctahedra, corners with ten equivalent CoDy6Co2Ni4 cuboctahedra, edges with six equivalent CoDy6Co2Ni4 cuboctahedra, faces with six equivalent CoDy6Co2Ni4 cuboctahedra, and faces with twelve equivalent NiDy6Co4Ni2 cuboctahedra. Both Co–Co bond lengths are 2.50 Å. All Co–Ni bond lengths are 2.52 Å. Ni is bonded to six equivalent Dy, four equivalent Co, and two equivalent Ni atoms to form NiDy6Co4Ni2 cuboctahedra that share corners with eight equivalent CoDy6Co2Ni4 cuboctahedra, corners with ten equivalent NiDy6Co4Ni2 cuboctahedra, edges with six equivalent NiDy6Co4Ni2 cuboctahedra, faces with six equivalent NiDy6Co4Ni2 cuboctahedra, and faces with twelve equivalent CoDy6Co2Ni4 cuboctahedra. Both Ni–Ni bond lengths are 2.51 Å.

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Materials Data on Dy2InNi2 by Materials Project

Dy2Ni2In crystallizes in the orthorhombic Cmmm space group. The structure is three-dimensional. Dy is bonded in a 10-coordinate geometry to six equivalent Ni and four equivalent In atoms. There are four shorter (2.82 Å) and two longer (2.94 Å) Dy–Ni bond lengths. All Dy–In bond lengths are 3.33 Å. Ni is bonded in a 9-coordinate geometry to six equivalent Dy, two equivalent Ni, and one In atom. Both Ni–Ni bond lengths are 2.45 Å. The Ni–In bond length is 2.84 Å. In is bonded in a distorted q6 geometry to eight equivalent Dy and two equivalent Ni atoms.

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Materials Data on Dy3Co4Ge13 by Materials Project

Dy3Co4Ge13 crystallizes in the cubic Pm-3n space group. The structure is three-dimensional. Dy is bonded in a 12-coordinate geometry to four equivalent Co and twelve equivalent Ge atoms. All Dy–Co bond lengths are 3.10 Å. There are four shorter (3.08 Å) and eight longer (3.10 Å) Dy–Ge bond lengths. Co is bonded in a 6-coordinate geometry to three equivalent Dy and six equivalent Ge atoms. All Co–Ge bond lengths are 2.40 Å. There are two inequivalent Ge sites. In the first Ge site, Ge is bonded in a 2-coordinate geometry to three equivalent Dy, two equivalent Co, and one Ge atom. The Ge–Ge bond length is 2.98 Å. In the second Ge site, Ge is bonded in a cuboctahedral geometry to twelve equivalent Ge atoms.

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Materials Data on DyCuSn by Materials Project

DyCuSn is hexagonal omega structure-derived structured and crystallizes in the hexagonal P6_3/mmc space group. The structure is three-dimensional. Dy is bonded to six equivalent Cu and six equivalent Sn atoms to form a mixture of face and edge-sharing DyCu6Sn6 cuboctahedra. All Dy–Cu bond lengths are 3.20 Å. All Dy–Sn bond lengths are 3.20 Å. Cu is bonded in a 9-coordinate geometry to six equivalent Dy and three equivalent Sn atoms. All Cu–Sn bond lengths are 2.61 Å. Sn is bonded in a 9-coordinate geometry to six equivalent Dy and three equivalent Cu atoms.

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Materials Data on DySiPt2 by Materials Project

DyPt2Si crystallizes in the orthorhombic Pnma space group. The structure is three-dimensional. Dy is bonded in a 11-coordinate geometry to eight equivalent Pt and three equivalent Si atoms. There are a spread of Dy–Pt bond distances ranging from 3.00–3.17 Å. There are a spread of Dy–Si bond distances ranging from 2.98–3.02 Å. Pt is bonded in a 12-coordinate geometry to four equivalent Dy and three equivalent Si atoms. There are a spread of Pt–Si bond distances ranging from 2.50–2.63 Å. Si is bonded in a 9-coordinate geometry to three equivalent Dy and six equivalent Pt atoms.

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Materials Data on DyNiSn4 by Materials Project

DyNiSn4 crystallizes in the orthorhombic Cmmm space group. The structure is three-dimensional. Dy is bonded in a 10-coordinate geometry to ten Sn atoms. There are a spread of Dy–Sn bond distances ranging from 3.22–3.45 Å. Ni is bonded in a distorted body-centered cubic geometry to eight Sn atoms. There are a spread of Ni–Sn bond distances ranging from 2.63–2.80 Å. There are five inequivalent Sn sites. In the first Sn site, Sn is bonded in a 4-coordinate geometry to two equivalent Dy, two equivalent Ni, and five Sn atoms. There are one shorter (3.07 Å) and four longer (3.17 Å) Sn–Sn bond lengths. In the second Sn site, Sn is bonded in a 8-coordinate geometry to six equivalent Dy and two equivalent Sn atoms. Both Sn–Sn bond lengths are 2.99 Å. In the third Sn site, Sn is bonded in a 4-coordinate geometry to two equivalent Dy, two equivalent Ni, and five Sn atoms. The Sn–Sn bond length is 3.10 Å. In the fourth Sn site, Sn is bonded in a 4-coordinate geometry to four equivalent Ni and two equivalent Sn atoms. In the fifth Sn site, Sn is bonded in a 4-coordinate geometry to four equivalent Ni and two equivalent Sn atoms.

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Materials Data on DyInCu4 by Materials Project

DyCu4In crystallizes in the cubic F-43m space group. The structure is three-dimensional. Dy is bonded in a 12-coordinate geometry to twelve equivalent Cu and four equivalent In atoms. All Dy–Cu bond lengths are 3.00 Å. All Dy–In bond lengths are 3.13 Å. Cu is bonded to three equivalent Dy, six equivalent Cu, and three equivalent In atoms to form a mixture of corner, edge, and face-sharing CuDy3In3Cu6 cuboctahedra. There are three shorter (2.55 Å) and three longer (2.57 Å) Cu–Cu bond lengths. All Cu–In bond lengths are 3.00 Å. In is bonded in a 4-coordinate geometry to four equivalent Dy and twelve equivalent Cu atoms.

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Materials Data on DyNiGe by Materials Project

DyNiGe crystallizes in the orthorhombic Pnma space group. The structure is three-dimensional. Dy is bonded in a 12-coordinate geometry to six equivalent Ni and six equivalent Ge atoms. There are a spread of Dy–Ni bond distances ranging from 2.91–3.15 Å. There are a spread of Dy–Ge bond distances ranging from 2.95–3.08 Å. Ni is bonded in a 10-coordinate geometry to six equivalent Dy and four equivalent Ge atoms. There are a spread of Ni–Ge bond distances ranging from 2.46–2.69 Å. Ge is bonded in a 10-coordinate geometry to six equivalent Dy and four equivalent Ni atoms.

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Materials Data on Dy6Mn23 by Materials Project

Dy6Mn23 crystallizes in the cubic Fm-3m space group. The structure is three-dimensional. Dy is bonded in a 12-coordinate geometry to twelve Mn atoms. There are a spread of Dy–Mn bond distances ranging from 2.94–3.05 Å. There are four inequivalent Mn sites. In the first Mn site, Mn is bonded to three equivalent Dy and nine Mn atoms to form distorted MnDy3Mn9 cuboctahedra that share corners with twelve MnDy3Mn9 cuboctahedra and faces with twelve MnDy4Mn8 cuboctahedra. There are six shorter (2.46 Å) and three longer (2.58 Å) Mn–Mn bond lengths. In the second Mn site, Mn is bonded in a body-centered cubic geometry to eight equivalent Mn atoms. All Mn–Mn bond lengths are 2.53 Å. In the third Mn site, Mn is bonded to four equivalent Dy and eight Mn atoms to form a mixture of face and corner-sharing MnDy4Mn8 cuboctahedra. All Mn–Mn bond lengths are 2.62 Å. In the fourth Mn site, Mn is bonded in a 10-coordinate geometry to three equivalent Dy and ten Mn atoms. All Mn–Mn bond lengths are 2.92 Å.

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Materials Data on DyGePd by Materials Project

DyPdGe crystallizes in the monoclinic C2/m space group. The structure is three-dimensional. Dy is bonded in a 12-coordinate geometry to six equivalent Pd and six equivalent Ge atoms. There are a spread of Dy–Pd bond distances ranging from 3.06–3.19 Å. There are a spread of Dy–Ge bond distances ranging from 3.07–3.23 Å. Pd is bonded in a 10-coordinate geometry to six equivalent Dy, one Pd, and three equivalent Ge atoms. The Pd–Pd bond length is 2.84 Å. There are two shorter (2.53 Å) and one longer (2.81 Å) Pd–Ge bond lengths. Ge is bonded in a 10-coordinate geometry to six equivalent Dy, three equivalent Pd, and one Ge atom. The Ge–Ge bond length is 2.59 Å.

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