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Materials Data on CeDyMg2 by Materials Project

Mg2DyCe 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 four equivalent Dy and four equivalent Ce atoms. All Mg–Dy bond lengths are 3.30 Å. All Mg–Ce bond lengths are 3.30 Å. Dy is bonded in a distorted body-centered cubic geometry to eight equivalent Mg atoms. Ce is bonded in a body-centered cubic geometry to eight equivalent Mg atoms.

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Materials Data on Dy3CrS6 by Materials Project

Dy3CrS6 crystallizes in the orthorhombic Pnnm space group. The structure is three-dimensional. there are three inequivalent Dy3+ sites. In the first Dy3+ site, Dy3+ is bonded in a 8-coordinate geometry to eight S2- atoms. There are a spread of Dy–S bond distances ranging from 2.77–2.95 Å. In the second Dy3+ site, Dy3+ is bonded in a 8-coordinate geometry to eight S2- atoms. There are a spread of Dy–S bond distances ranging from 2.76–3.06 Å. In the third Dy3+ site, Dy3+ is bonded to seven S2- atoms to form distorted DyS7 pentagonal bipyramids that share a cornercorner with one CrS6 octahedra, edges with two equivalent CrS6 octahedra, and edges with two equivalent DyS7 pentagonal bipyramids. The corner-sharing octahedral tilt angles are 33°. There are a spread of Dy–S bond distances ranging from 2.72–2.85 Å. There are two inequivalent Cr3+ sites. In the first Cr3+ site, Cr3+ is bonded to six S2- atoms to form CrS6 octahedra that share edges with two equivalent CrS6 octahedra and edges with four equivalent DyS7 pentagonal bipyramids. There are two shorter (2.41 Å) and four longer (2.47 Å) Cr–S bond lengths. In the second Cr3+ site, Cr3+ is bonded to six S2- atoms to form CrS6 octahedra that share corners with two equivalent DyS7 pentagonal bipyramids and edges with two equivalent CrS6 octahedra. There are two shorter (2.35 Å) and four longer (2.49 Å) Cr–S bond lengths. There are six inequivalent S2- sites. In the first S2- site, S2- is bonded in a 5-coordinate geometry to five Dy3+ atoms. In the second S2- site, S2- is bonded in a 5-coordinate geometry to three Dy3+ and two equivalent Cr3+ atoms. In the third S2- site, S2- is bonded to three Dy3+ and one Cr3+ atom to form distorted SDy3Cr trigonal pyramids that share corners with two equivalent SDy4Cr square pyramids, corners with five SDy5 trigonal bipyramids, corners with three equivalent SDy3Cr trigonal pyramids, and a faceface with one SDy5 trigonal bipyramid. In the fourth S2- site, S2- is bonded to five Dy3+ atoms to form distorted SDy5 trigonal bipyramids that share corners with four equivalent SDy4Cr square pyramids, a cornercorner with one SDy3Cr2 trigonal bipyramid, corners with two equivalent SDy3Cr trigonal pyramids, an edgeedge with one SDy4Cr square pyramid, edges with four SDy5 trigonal bipyramids, and a faceface with one SDy3Cr trigonal pyramid. In the fifth S2- site, S2- is bonded to four Dy3+ and one Cr3+ atom to form distorted SDy4Cr square pyramids that share a cornercorner with one SDy4Cr square pyramid, corners with four equivalent SDy5 trigonal bipyramids, corners with two equivalent SDy3Cr trigonal pyramids, edges with two equivalent SDy4Cr square pyramids, and edges with five SDy5 trigonal bipyramids. In the sixth S2- site, S2- is bonded to three Dy3+ and two equivalent Cr3+ atoms to form distorted SDy3Cr2 trigonal bipyramids that share corners with five SDy5 trigonal bipyramids, corners with three equivalent SDy3Cr trigonal pyramids, edges with four equivalent SDy4Cr square pyramids, and edges with three SDy3Cr2 trigonal bipyramids.

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Materials Data on Dy2MgCu2 by Materials Project

MgDy2Cu2 crystallizes in the tetragonal P4/mbm space group. The structure is three-dimensional. Mg is bonded in a distorted square co-planar geometry to four equivalent Cu atoms. All Mg–Cu bond lengths are 3.08 Å. Dy is bonded in a 6-coordinate geometry to six equivalent Cu atoms. There are two shorter (2.91 Å) and four longer (2.92 Å) Dy–Cu bond lengths. Cu is bonded in a 9-coordinate geometry to two equivalent Mg, six equivalent Dy, and one Cu atom. The Cu–Cu bond length is 2.65 Å.

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Materials Data on Nd3Dy by Materials Project

DyNd3 is Uranium Silicide structured and crystallizes in the cubic Pm-3m space group. The structure is three-dimensional. Dy is bonded to twelve equivalent Nd atoms to form DyNd12 cuboctahedra that share corners with twelve equivalent DyNd12 cuboctahedra, edges with twenty-four equivalent NdNd8Dy4 cuboctahedra, faces with six equivalent DyNd12 cuboctahedra, and faces with twelve equivalent NdNd8Dy4 cuboctahedra. All Dy–Nd bond lengths are 3.65 Å. Nd is bonded to four equivalent Dy and eight equivalent Nd atoms to form NdNd8Dy4 cuboctahedra that share corners with twelve equivalent NdNd8Dy4 cuboctahedra, edges with eight equivalent DyNd12 cuboctahedra, edges with sixteen equivalent NdNd8Dy4 cuboctahedra, faces with four equivalent DyNd12 cuboctahedra, and faces with fourteen equivalent NdNd8Dy4 cuboctahedra. All Nd–Nd bond lengths are 3.65 Å.

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Materials Data on DyRu3 by Materials Project

DyRu3 is Uranium Silicide structured and crystallizes in the cubic Pm-3m space group. The structure is three-dimensional. Dy is bonded to twelve equivalent Ru atoms to form a mixture of corner and face-sharing DyRu12 cuboctahedra. All Dy–Ru bond lengths are 2.86 Å. Ru is bonded in a distorted square co-planar geometry to four equivalent Dy atoms.

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Materials Data on Ce3Dy by Materials Project

DyCe3 is Uranium Silicide structured and crystallizes in the cubic Pm-3m space group. The structure is three-dimensional. Dy is bonded to twelve equivalent Ce atoms to form DyCe12 cuboctahedra that share corners with twelve equivalent DyCe12 cuboctahedra, edges with twenty-four equivalent CeCe8Dy4 cuboctahedra, faces with six equivalent DyCe12 cuboctahedra, and faces with twelve equivalent CeCe8Dy4 cuboctahedra. All Dy–Ce bond lengths are 3.44 Å. Ce is bonded to four equivalent Dy and eight equivalent Ce atoms to form CeCe8Dy4 cuboctahedra that share corners with twelve equivalent CeCe8Dy4 cuboctahedra, edges with eight equivalent DyCe12 cuboctahedra, edges with sixteen equivalent CeCe8Dy4 cuboctahedra, faces with four equivalent DyCe12 cuboctahedra, and faces with fourteen equivalent CeCe8Dy4 cuboctahedra. All Ce–Ce bond lengths are 3.44 Å.

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Materials Data on Yb3Dy by Materials Project

Yb3Dy is beta Cu3Ti-like structured and crystallizes in the hexagonal P6_3/mmc space group. The structure is three-dimensional. Yb is bonded to eight equivalent Yb and four equivalent Dy atoms to form YbYb8Dy4 cuboctahedra that share corners with four equivalent DyYb12 cuboctahedra, corners with fourteen equivalent YbYb8Dy4 cuboctahedra, edges with six equivalent DyYb12 cuboctahedra, edges with twelve equivalent YbYb8Dy4 cuboctahedra, faces with four equivalent DyYb12 cuboctahedra, and faces with sixteen equivalent YbYb8Dy4 cuboctahedra. There are a spread of Yb–Yb bond distances ranging from 3.67–3.85 Å. There are two shorter (3.69 Å) and two longer (3.76 Å) Yb–Dy bond lengths. Dy is bonded to twelve equivalent Yb atoms to form DyYb12 cuboctahedra that share corners with six equivalent DyYb12 cuboctahedra, corners with twelve equivalent YbYb8Dy4 cuboctahedra, edges with eighteen equivalent YbYb8Dy4 cuboctahedra, faces with eight equivalent DyYb12 cuboctahedra, and faces with twelve equivalent YbYb8Dy4 cuboctahedra.

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Materials Data on Pm3Dy by Materials Project

DyPm3 is Uranium Silicide structured and crystallizes in the cubic Pm-3m space group. The structure is three-dimensional. Dy is bonded to twelve equivalent Pm atoms to form DyPm12 cuboctahedra that share corners with twelve equivalent DyPm12 cuboctahedra, edges with twenty-four equivalent PmPm8Dy4 cuboctahedra, faces with six equivalent DyPm12 cuboctahedra, and faces with twelve equivalent PmPm8Dy4 cuboctahedra. All Dy–Pm bond lengths are 3.63 Å. Pm is bonded to four equivalent Dy and eight equivalent Pm atoms to form PmPm8Dy4 cuboctahedra that share corners with twelve equivalent PmPm8Dy4 cuboctahedra, edges with eight equivalent DyPm12 cuboctahedra, edges with sixteen equivalent PmPm8Dy4 cuboctahedra, faces with four equivalent DyPm12 cuboctahedra, and faces with fourteen equivalent PmPm8Dy4 cuboctahedra. All Pm–Pm bond lengths are 3.63 Å.

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Materials Data on Dy4Ni by Materials Project

Dy4Ni is Iron carbide-like structured and crystallizes in the cubic Fd-3m space group. The structure is zero-dimensional and consists of eight Dy4Ni clusters. Dy is bonded in a single-bond geometry to one Ni atom. The Dy–Ni bond length is 2.52 Å. Ni is bonded in a tetrahedral geometry to four equivalent Dy atoms.

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Materials Data on LaDyTl2 by Materials Project

DyLaTl2 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 Tl atoms. All Dy–Tl bond lengths are 3.37 Å. La is bonded in a body-centered cubic geometry to eight equivalent Tl atoms. All La–Tl bond lengths are 3.37 Å. Tl is bonded in a body-centered cubic geometry to four equivalent Dy and four equivalent La atoms.

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Materials Data on DyTlRh2 by Materials Project

DyRh2Tl 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 atoms. All Dy–Rh bond lengths are 2.90 Å. Rh is bonded in a body-centered cubic geometry to four equivalent Dy and four equivalent Tl atoms. All Rh–Tl bond lengths are 2.90 Å. Tl is bonded in a body-centered cubic geometry to eight equivalent Rh atoms.

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Materials Data on Dy3CuSe6 by Materials Project

Dy3CuSe6 crystallizes in the orthorhombic Pca2_1 space group. The structure is three-dimensional. there are three inequivalent Dy3+ sites. In the first Dy3+ site, Dy3+ is bonded in a 8-coordinate geometry to eight Se2- atoms. There are a spread of Dy–Se bond distances ranging from 2.78–3.10 Å. In the second Dy3+ site, Dy3+ is bonded in a 8-coordinate geometry to eight Se2- atoms. There are a spread of Dy–Se bond distances ranging from 2.96–3.10 Å. In the third Dy3+ site, Dy3+ is bonded in a 8-coordinate geometry to eight Se2- atoms. There are a spread of Dy–Se bond distances ranging from 2.86–3.17 Å. Cu3+ is bonded to four Se2- atoms to form distorted corner-sharing CuSe4 trigonal pyramids. There are a spread of Cu–Se bond distances ranging from 2.42–2.53 Å. There are six inequivalent Se2- sites. In the first Se2- site, Se2- is bonded in a 1-coordinate geometry to four Dy3+ and one Cu3+ atom. In the second Se2- site, Se2- is bonded to four Dy3+ atoms to form distorted corner-sharing SeDy4 trigonal pyramids. In the third Se2- site, Se2- is bonded in a 6-coordinate geometry to four Dy3+ and two equivalent Cu3+ atoms. In the fourth Se2- site, Se2- is bonded in a 5-coordinate geometry to four Dy3+ and one Cu3+ atom. In the fifth Se2- site, Se2- is bonded in a 5-coordinate geometry to four Dy3+ and one Se2- atom. The Se–Se bond length is 2.46 Å. In the sixth Se2- site, Se2- is bonded in a 6-coordinate geometry to four Dy3+ and one Se2- atom.

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Materials Data on Ba3Dy by Materials Project

Ba3Dy is beta Cu3Ti-like structured and crystallizes in the hexagonal P6_3/mmc space group. The structure is three-dimensional. Ba is bonded to eight equivalent Ba and four equivalent Dy atoms to form distorted BaBa8Dy4 cuboctahedra that share corners with four equivalent DyBa12 cuboctahedra, corners with fourteen equivalent BaBa8Dy4 cuboctahedra, edges with six equivalent DyBa12 cuboctahedra, edges with twelve equivalent BaBa8Dy4 cuboctahedra, faces with four equivalent DyBa12 cuboctahedra, and faces with sixteen equivalent BaBa8Dy4 cuboctahedra. There are a spread of Ba–Ba bond distances ranging from 4.06–4.35 Å. There are two shorter (4.10 Å) and two longer (4.21 Å) Ba–Dy bond lengths. Dy is bonded to twelve equivalent Ba atoms to form DyBa12 cuboctahedra that share corners with six equivalent DyBa12 cuboctahedra, corners with twelve equivalent BaBa8Dy4 cuboctahedra, edges with eighteen equivalent BaBa8Dy4 cuboctahedra, faces with eight equivalent DyBa12 cuboctahedra, and faces with twelve equivalent BaBa8Dy4 cuboctahedra.

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Materials Data on DyYMn2O6 by Materials Project

DyYMn2O6 crystallizes in the trigonal P3 space group. The structure is three-dimensional. there are three inequivalent Dy3+ sites. In the first Dy3+ site, Dy3+ is bonded to seven O2- atoms to form distorted DyO7 pentagonal bipyramids that share corners with three equivalent MnO5 trigonal bipyramids, edges with three equivalent DyO7 pentagonal bipyramids, edges with three equivalent YO7 pentagonal bipyramids, and edges with three equivalent MnO5 trigonal bipyramids. There are a spread of Dy–O bond distances ranging from 2.29–2.44 Å. In the second Dy3+ site, Dy3+ is bonded to seven O2- atoms to form distorted DyO7 pentagonal bipyramids that share corners with three equivalent MnO5 trigonal bipyramids, edges with six YO7 pentagonal bipyramids, and edges with three equivalent MnO5 trigonal bipyramids. There are a spread of Dy–O bond distances ranging from 2.30–2.34 Å. In the third Dy3+ site, Dy3+ is bonded to seven O2- atoms to form distorted DyO7 pentagonal bipyramids that share corners with three equivalent MnO5 trigonal bipyramids, edges with three equivalent DyO7 pentagonal bipyramids, edges with three equivalent YO7 pentagonal bipyramids, and edges with three equivalent MnO5 trigonal bipyramids. There are a spread of Dy–O bond distances ranging from 2.30–2.34 Å. There are three inequivalent Y3+ sites. In the first Y3+ site, Y3+ is bonded to seven O2- atoms to form distorted YO7 pentagonal bipyramids that share corners with three equivalent MnO5 trigonal bipyramids, edges with three equivalent DyO7 pentagonal bipyramids, edges with three equivalent YO7 pentagonal bipyramids, and edges with three equivalent MnO5 trigonal bipyramids. There are a spread of Y–O bond distances ranging from 2.30–2.45 Å. In the second Y3+ site, Y3+ is bonded to seven O2- atoms to form distorted YO7 pentagonal bipyramids that share corners with three equivalent MnO5 trigonal bipyramids, edges with three equivalent DyO7 pentagonal bipyramids, edges with three equivalent YO7 pentagonal bipyramids, and edges with three equivalent MnO5 trigonal bipyramids. There are a spread of Y–O bond distances ranging from 2.30–2.46 Å. In the third Y3+ site, Y3+ is bonded to seven O2- atoms to form distorted YO7 pentagonal bipyramids that share corners with three equivalent MnO5 trigonal bipyramids, edges with six DyO7 pentagonal bipyramids, and edges with three equivalent MnO5 trigonal bipyramids. There are a spread of Y–O bond distances ranging from 2.30–2.45 Å. There are two inequivalent Mn3+ sites. In the first Mn3+ site, Mn3+ is bonded to five O2- atoms to form MnO5 trigonal bipyramids that share a cornercorner with one YO7 pentagonal bipyramid, corners with two DyO7 pentagonal bipyramids, corners with six equivalent MnO5 trigonal bipyramids, an edgeedge with one DyO7 pentagonal bipyramid, and edges with two YO7 pentagonal bipyramids. There are a spread of Mn–O bond distances ranging from 1.91–2.10 Å. In the second Mn3+ site, Mn3+ is bonded to five O2- atoms to form MnO5 trigonal bipyramids that share a cornercorner with one DyO7 pentagonal bipyramid, corners with two YO7 pentagonal bipyramids, corners with six equivalent MnO5 trigonal bipyramids, an edgeedge with one YO7 pentagonal bipyramid, and edges with two DyO7 pentagonal bipyramids. There are a spread of Mn–O bond distances ranging from 1.91–2.10 Å. There are ten inequivalent O2- sites. In the first O2- site, O2- is bonded to one Dy3+, two Y3+, and one Mn3+ atom to form distorted ODyY2Mn tetrahedra that share corners with ten ODyY2Mn tetrahedra, corners with four OYMn3 trigonal pyramids, edges with three equivalent ODyY2Mn tetrahedra, and an edgeedge with one ODyMn3 trigonal pyramid. In the second O2- site, O2- is bonded to two Dy3+, one Y3+, and one Mn3+ atom to form distorted ODy2YMn tetrahedra that share corners with ten ODy2YMn tetrahedra, corners with four OYMn3 trigonal pyramids, edges with three equivalent ODy2YMn tetrahedra, and an edgeedge with one ODyMn3 trigonal pyramid. In the third O2- site, O2- is bonded to one Dy3+, two Y3+, and one Mn3+ atom to form ODyY2Mn tetrahedra that share corners with ten ODyY2Mn tetrahedra, corners with two ODyMn3 trigonal pyramids, edges with three equivalent ODyY2Mn tetrahedra, and edges with two OYMn3 trigonal pyramids. In the fourth O2- site, O2- is bonded to two Dy3+, one Y3+, and one Mn3+ atom to form ODy2YMn tetrahedra that share corners with ten ODyY2Mn tetrahedra, corners with two ODyMn3 trigonal pyramids, edges with three equivalent ODy2YMn tetrahedra, and edges with two OYMn3 trigonal pyramids. In the fifth O2- site, O2- is bonded to one Dy3+ and three equivalent Mn3+ atoms to form ODyMn3 trigonal pyramids that share corners with six ODyY2Mn tetrahedra, corners with six ODyMn3 trigonal pyramids, and edges with three equivalent ODyY2Mn tetrahedra. In the sixth O2- site, O2- is bonded to one Dy3+ and three equivalent Mn3+ atoms to form ODyMn3 trigonal pyramids that share corners with six ODyY2Mn tetrahedra, corners with six OYMn3 trigonal pyramids, and edges with three equivalent ODy2YMn tetrahedra. In the seventh O2- site, O2- is bonded to one Y3+ and three equivalent Mn3+ atoms to form OYMn3 trigonal pyramids that share corners with six ODyY2Mn tetrahedra, corners with six ODyMn3 trigonal pyramids, and edges with three equivalent ODyY2Mn tetrahedra. In the eighth O2- site, O2- is bonded to one Y3+ and three equivalent Mn3+ atoms to form OYMn3 trigonal pyramids that share corners with six ODyY2Mn tetrahedra, corners with six ODyMn3 trigonal pyramids, and edges with three equivalent ODyY2Mn tetrahedra. In the ninth O2- site, O2- is bonded to one Y3+ and three equivalent Mn3+ atoms to form OYMn3 trigonal pyramids that share corners with six ODyY2Mn tetrahedra, corners with six ODyMn3 trigonal pyramids, and edges with three equivalent ODy2YMn tetrahedra. In the tenth O2- site, O2- is bonded to one Dy3+ and three equivalent Mn3+ atoms to form ODyMn3 trigonal pyramids that share corners with six ODyY2Mn tetrahedra, corners with six ODyMn3 trigonal pyramids, and edges with three equivalent ODy2YMn tetrahedra.

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Materials Data on BaDyO3 by Materials Project

BaDyO3 is (Cubic) Perovskite structured and crystallizes in the cubic Pm-3m space group. The structure is three-dimensional. Ba is bonded to twelve equivalent O atoms to form BaO12 cuboctahedra that share corners with twelve equivalent BaO12 cuboctahedra, faces with six equivalent BaO12 cuboctahedra, and faces with eight equivalent DyO6 octahedra. All Ba–O bond lengths are 3.13 Å. Dy is bonded to six equivalent O atoms to form DyO6 octahedra that share corners with six equivalent DyO6 octahedra and faces with eight equivalent BaO12 cuboctahedra. The corner-sharing octahedral tilt angles are 0°. All Dy–O bond lengths are 2.21 Å. O is bonded in a distorted linear geometry to four equivalent Ba and two equivalent Dy atoms.

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Materials Data on Dy2MgNi2 by Materials Project

MgDy2Ni2 crystallizes in the tetragonal P4/mbm space group. The structure is three-dimensional. Mg is bonded in a distorted square co-planar geometry to four equivalent Ni atoms. All Mg–Ni bond lengths are 2.92 Å. Dy is bonded in a 6-coordinate geometry to six equivalent Ni atoms. There are two shorter (2.84 Å) and four longer (2.88 Å) Dy–Ni bond lengths. Ni is bonded in a 9-coordinate geometry to two equivalent Mg, six equivalent Dy, and one Ni atom. The Ni–Ni bond length is 2.44 Å.

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Materials Data on PmDyZn2 by Materials Project

DyPmZn2 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 Zn atoms. All Dy–Zn bond lengths are 3.13 Å. Pm is bonded in a body-centered cubic geometry to eight equivalent Zn atoms. All Pm–Zn bond lengths are 3.13 Å. Zn is bonded in a body-centered cubic geometry to four equivalent Dy and four equivalent Pm atoms.

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Materials Data on DyHoRu2 by Materials Project

HoDyRu2 is Heusler structured and crystallizes in the cubic Fm-3m space group. The structure is three-dimensional. Ho is bonded in a body-centered cubic geometry to eight equivalent Ru atoms. All Ho–Ru bond lengths are 2.94 Å. Dy is bonded in a body-centered cubic geometry to eight equivalent Ru atoms. All Dy–Ru bond lengths are 2.94 Å. Ru is bonded in a body-centered cubic geometry to four equivalent Ho and four equivalent Dy atoms.

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