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Materials Data on TbDyIr2 by Materials Project

DyTbIr2 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 Ir atoms. All Dy–Ir bond lengths are 2.98 Å. Tb is bonded in a body-centered cubic geometry to eight equivalent Ir atoms. All Tb–Ir bond lengths are 2.98 Å. Ir is bonded in a body-centered cubic geometry to four equivalent Dy and four equivalent Tb atoms.

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Materials Data on Ca3Dy by Materials Project

Ca3Dy is beta Cu3Ti-like structured and crystallizes in the hexagonal P6_3/mmc space group. The structure is three-dimensional. Ca is bonded to eight equivalent Ca and four equivalent Dy atoms to form CaCa8Dy4 cuboctahedra that share corners with four equivalent DyCa12 cuboctahedra, corners with fourteen equivalent CaCa8Dy4 cuboctahedra, edges with six equivalent DyCa12 cuboctahedra, edges with twelve equivalent CaCa8Dy4 cuboctahedra, faces with four equivalent DyCa12 cuboctahedra, and faces with sixteen equivalent CaCa8Dy4 cuboctahedra. There are a spread of Ca–Ca bond distances ranging from 3.69–3.86 Å. There are two shorter (3.77 Å) and two longer (3.78 Å) Ca–Dy bond lengths. Dy is bonded to twelve equivalent Ca atoms to form DyCa12 cuboctahedra that share corners with six equivalent DyCa12 cuboctahedra, corners with twelve equivalent CaCa8Dy4 cuboctahedra, edges with eighteen equivalent CaCa8Dy4 cuboctahedra, faces with eight equivalent DyCa12 cuboctahedra, and faces with twelve equivalent CaCa8Dy4 cuboctahedra.

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Materials Data on Dy3AlFeS7 by Materials Project

Dy3FeAlS7 crystallizes in the monoclinic P2_1 space group. The structure is three-dimensional. there are three inequivalent Dy3+ sites. In the first Dy3+ site, Dy3+ is bonded to seven S2- atoms to form distorted DyS7 pentagonal bipyramids that share a cornercorner with one FeS6 octahedra, corners with six DyS7 pentagonal bipyramids, corners with two equivalent AlS4 tetrahedra, an edgeedge with one FeS6 octahedra, edges with four DyS7 pentagonal bipyramids, an edgeedge with one AlS4 tetrahedra, and a faceface with one FeS6 octahedra. The corner-sharing octahedral tilt angles are 24°. There are a spread of Dy–S bond distances ranging from 2.72–2.88 Å. In the second Dy3+ site, Dy3+ is bonded to seven S2- atoms to form distorted DyS7 pentagonal bipyramids that share a cornercorner with one FeS6 octahedra, corners with six DyS7 pentagonal bipyramids, corners with two equivalent AlS4 tetrahedra, an edgeedge with one FeS6 octahedra, edges with four DyS7 pentagonal bipyramids, an edgeedge with one AlS4 tetrahedra, and a faceface with one FeS6 octahedra. The corner-sharing octahedral tilt angles are 25°. There are a spread of Dy–S bond distances ranging from 2.72–2.88 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 FeS6 octahedra, corners with six DyS7 pentagonal bipyramids, corners with two equivalent AlS4 tetrahedra, an edgeedge with one FeS6 octahedra, edges with four DyS7 pentagonal bipyramids, an edgeedge with one AlS4 tetrahedra, and a faceface with one FeS6 octahedra. The corner-sharing octahedral tilt angles are 24°. There are a spread of Dy–S bond distances ranging from 2.72–2.88 Å. Fe2+ is bonded to six S2- atoms to form FeS6 octahedra that share corners with three DyS7 pentagonal bipyramids, edges with three DyS7 pentagonal bipyramids, faces with two equivalent FeS6 octahedra, and faces with three DyS7 pentagonal bipyramids. There are a spread of Fe–S bond distances ranging from 2.35–2.44 Å. Al3+ is bonded to four S2- atoms to form AlS4 tetrahedra that share corners with six DyS7 pentagonal bipyramids and edges with three DyS7 pentagonal bipyramids. There are a spread of Al–S bond distances ranging from 2.22–2.24 Å. There are seven inequivalent S2- sites. In the first S2- site, S2- is bonded to three Dy3+ and two equivalent Fe2+ atoms to form distorted SDy3Fe2 square pyramids that share corners with two equivalent SDy3Fe2 square pyramids, corners with three equivalent SDy3Al tetrahedra, edges with four SDy3Fe2 square pyramids, and faces with two SDy3Fe2 square pyramids. In the second S2- site, S2- is bonded to three Dy3+ and two equivalent Fe2+ atoms to form distorted SDy3Fe2 square pyramids that share corners with two equivalent SDy3Fe2 square pyramids, corners with three equivalent SDy3Al tetrahedra, edges with four SDy3Fe2 square pyramids, and faces with two SDy3Fe2 square pyramids. In the third S2- site, S2- is bonded to three Dy3+ and two equivalent Fe2+ atoms to form distorted SDy3Fe2 square pyramids that share corners with two equivalent SDy3Fe2 square pyramids, corners with three equivalent SDy3Al tetrahedra, edges with four SDy3Fe2 square pyramids, and faces with two SDy3Fe2 square pyramids. In the fourth S2- site, S2- is bonded in a distorted rectangular see-saw-like geometry to three Dy3+ and one Al3+ atom. In the fifth S2- site, S2- is bonded in a distorted rectangular see-saw-like geometry to three Dy3+ and one Al3+ atom. In the sixth S2- site, S2- is bonded in a distorted rectangular see-saw-like geometry to three Dy3+ and one Al3+ atom. In the seventh S2- site, S2- is bonded to three Dy3+ and one Al3+ atom to form distorted corner-sharing SDy3Al tetrahedra.

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Materials Data on Dy5(Si5Ir2)2 by Materials Project

Dy5(Ir2Si5)2 crystallizes in the tetragonal P4/mbm space group. The structure is three-dimensional. there are three inequivalent Dy3+ sites. In the first Dy3+ site, Dy3+ is bonded to twelve Si+3.20- atoms to form distorted DySi12 cuboctahedra that share corners with eight equivalent IrSi5 trigonal bipyramids, edges with eight equivalent DySi8 hexagonal bipyramids, faces with two equivalent DySi12 cuboctahedra, and faces with four equivalent IrSi5 trigonal bipyramids. There are eight shorter (2.92 Å) and four longer (3.27 Å) Dy–Si bond lengths. In the second Dy3+ site, Dy3+ is bonded to eight Si+3.20- atoms to form distorted DySi8 hexagonal bipyramids that share corners with four equivalent IrSi5 trigonal bipyramids, edges with four equivalent DySi12 cuboctahedra, faces with two equivalent DySi8 hexagonal bipyramids, and faces with four equivalent IrSi5 trigonal bipyramids. There are a spread of Dy–Si bond distances ranging from 2.91–3.03 Å. In the third Dy3+ site, Dy3+ is bonded in a distorted q4 geometry to ten Si+3.20- atoms. There are eight shorter (3.20 Å) and two longer (3.24 Å) Dy–Si bond lengths. Ir+4.25+ is bonded to five Si+3.20- atoms to form distorted IrSi5 trigonal bipyramids that share corners with two equivalent DySi12 cuboctahedra, corners with two equivalent DySi8 hexagonal bipyramids, corners with five equivalent IrSi5 trigonal bipyramids, a faceface with one DySi12 cuboctahedra, and faces with two equivalent DySi8 hexagonal bipyramids. There are a spread of Ir–Si bond distances ranging from 2.39–2.50 Å. There are three inequivalent Si+3.20- sites. In the first Si+3.20- site, Si+3.20- is bonded in a 9-coordinate geometry to six Dy3+, two equivalent Ir+4.25+, and one Si+3.20- atom. The Si–Si bond length is 2.34 Å. In the second Si+3.20- site, Si+3.20- is bonded in a 2-coordinate geometry to five Dy3+, two equivalent Ir+4.25+, and one Si+3.20- atom. The Si–Si bond length is 2.43 Å. In the third Si+3.20- site, Si+3.20- is bonded in a 2-coordinate geometry to four Dy3+, two equivalent Ir+4.25+, and two equivalent Si+3.20- atoms. Both Si–Si bond lengths are 2.80 Å.

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Materials Data on K3Dy by Materials Project

K3Dy is alpha bismuth trifluoride structured and crystallizes in the cubic Fm-3m space group. The structure is three-dimensional. there are two inequivalent K sites. In the first K site, K is bonded in a distorted body-centered cubic geometry to four equivalent K and four equivalent Dy atoms. All K–K bond lengths are 4.21 Å. All K–Dy bond lengths are 4.21 Å. In the second K site, K is bonded in a body-centered cubic geometry to eight equivalent K atoms. Dy is bonded in a body-centered cubic geometry to eight equivalent K atoms.

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Materials Data on DyHoHg2 by Materials Project

HoDyHg2 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 Hg atoms. All Ho–Hg bond lengths are 3.22 Å. Dy is bonded in a body-centered cubic geometry to eight equivalent Hg atoms. All Dy–Hg bond lengths are 3.22 Å. Hg is bonded in a body-centered cubic geometry to four equivalent Ho and four equivalent Dy atoms.

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Materials Data on Sr3Dy by Materials Project

Sr3Dy is beta Cu3Ti-like structured and crystallizes in the hexagonal P6_3/mmc space group. The structure is three-dimensional. Sr is bonded to eight equivalent Sr and four equivalent Dy atoms to form distorted SrSr8Dy4 cuboctahedra that share corners with four equivalent DySr12 cuboctahedra, corners with fourteen equivalent SrSr8Dy4 cuboctahedra, edges with six equivalent DySr12 cuboctahedra, edges with twelve equivalent SrSr8Dy4 cuboctahedra, faces with four equivalent DySr12 cuboctahedra, and faces with sixteen equivalent SrSr8Dy4 cuboctahedra. There are a spread of Sr–Sr bond distances ranging from 3.92–4.17 Å. There are two shorter (3.98 Å) and two longer (4.05 Å) Sr–Dy bond lengths. Dy is bonded to twelve equivalent Sr atoms to form DySr12 cuboctahedra that share corners with six equivalent DySr12 cuboctahedra, corners with twelve equivalent SrSr8Dy4 cuboctahedra, edges with eighteen equivalent SrSr8Dy4 cuboctahedra, faces with eight equivalent DySr12 cuboctahedra, and faces with twelve equivalent SrSr8Dy4 cuboctahedra.

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Materials Data on DyHoZn2 by Materials Project

HoDyZn2 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 Zn atoms. All Ho–Zn bond lengths are 3.06 Å. Dy is bonded in a body-centered cubic geometry to eight equivalent Zn atoms. All Dy–Zn bond lengths are 3.06 Å. Zn is bonded in a body-centered cubic geometry to four equivalent Ho and four equivalent Dy atoms.

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Materials Data on DyVO2 by Materials Project

DyVO2 crystallizes in the tetragonal I4_1/amd space group. The structure is three-dimensional. Dy is bonded to six equivalent O atoms to form edge-sharing DyO6 octahedra. All Dy–O bond lengths are 2.33 Å. V is bonded in a square co-planar geometry to four equivalent O atoms. All V–O bond lengths are 2.20 Å. O is bonded to three equivalent Dy and two equivalent V atoms to form a mixture of distorted edge and corner-sharing ODy3V2 trigonal bipyramids.

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Materials Data on PmDyTl2 by Materials Project

DyPmTl2 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 3.33 Å. Pm is bonded in a body-centered cubic geometry to eight equivalent Tl atoms. All Pm–Tl bond lengths are 3.33 Å. Tl is bonded in a body-centered cubic geometry to four equivalent Dy and four equivalent Pm atoms.

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Materials Data on Dy5Sc5(Si5Ir2)4 by Materials Project

Dy5Sc5(Ir2Si5)4 crystallizes in the orthorhombic Amm2 space group. The structure is three-dimensional. there are three inequivalent Dy3+ sites. In the first Dy3+ site, Dy3+ is bonded in a distorted q4 geometry to ten Si+2.80- atoms. There are a spread of Dy–Si bond distances ranging from 3.16–3.22 Å. In the second Dy3+ site, Dy3+ is bonded in a 10-coordinate geometry to ten Si+2.80- atoms. There are a spread of Dy–Si bond distances ranging from 3.15–3.23 Å. In the third Dy3+ site, Dy3+ is bonded to twelve Si+2.80- atoms to form distorted DySi12 cuboctahedra that share corners with eight IrSi5 trigonal bipyramids, edges with eight ScSi8 hexagonal bipyramids, faces with two equivalent DySi12 cuboctahedra, and faces with four IrSi5 trigonal bipyramids. There are a spread of Dy–Si bond distances ranging from 2.86–3.25 Å. There are four inequivalent Sc3+ sites. In the first Sc3+ site, Sc3+ is bonded to eight Si+2.80- atoms to form distorted ScSi8 hexagonal bipyramids that share corners with four equivalent IrSi5 trigonal bipyramids, edges with four equivalent DySi12 cuboctahedra, faces with two equivalent ScSi8 hexagonal bipyramids, and faces with four equivalent IrSi5 trigonal bipyramids. There are a spread of Sc–Si bond distances ranging from 2.83–2.99 Å. In the second Sc3+ site, Sc3+ is bonded to eight Si+2.80- atoms to form distorted ScSi8 hexagonal bipyramids that share corners with four equivalent IrSi5 trigonal bipyramids, edges with four equivalent DySi12 cuboctahedra, faces with two equivalent ScSi8 hexagonal bipyramids, and faces with four equivalent IrSi5 trigonal bipyramids. There are a spread of Sc–Si bond distances ranging from 2.83–2.99 Å. In the third Sc3+ site, Sc3+ is bonded to eight Si+2.80- atoms to form distorted ScSi8 hexagonal bipyramids that share corners with four IrSi5 trigonal bipyramids, edges with four equivalent DySi12 cuboctahedra, faces with two equivalent ScSi8 hexagonal bipyramids, and faces with four IrSi5 trigonal bipyramids. There are a spread of Sc–Si bond distances ranging from 2.83–3.00 Å. In the fourth Sc3+ site, Sc3+ is bonded in a distorted q4 geometry to ten Si+2.80- atoms. There are a spread of Sc–Si bond distances ranging from 3.14–3.21 Å. There are four inequivalent Ir+3.25+ sites. In the first Ir+3.25+ site, Ir+3.25+ is bonded to five Si+2.80- atoms to form distorted IrSi5 trigonal bipyramids that share corners with two equivalent DySi12 cuboctahedra, corners with two equivalent ScSi8 hexagonal bipyramids, corners with five IrSi5 trigonal bipyramids, a faceface with one DySi12 cuboctahedra, and faces with two equivalent ScSi8 hexagonal bipyramids. There are a spread of Ir–Si bond distances ranging from 2.38–2.47 Å. In the second Ir+3.25+ site, Ir+3.25+ is bonded to five Si+2.80- atoms to form distorted IrSi5 trigonal bipyramids that share corners with two equivalent DySi12 cuboctahedra, corners with two equivalent ScSi8 hexagonal bipyramids, corners with five IrSi5 trigonal bipyramids, a faceface with one DySi12 cuboctahedra, and faces with two equivalent ScSi8 hexagonal bipyramids. There are a spread of Ir–Si bond distances ranging from 2.38–2.45 Å. In the third Ir+3.25+ site, Ir+3.25+ is bonded to five Si+2.80- atoms to form distorted IrSi5 trigonal bipyramids that share corners with two equivalent DySi12 cuboctahedra, corners with two equivalent ScSi8 hexagonal bipyramids, corners with five IrSi5 trigonal bipyramids, a faceface with one DySi12 cuboctahedra, and faces with two equivalent ScSi8 hexagonal bipyramids. There are a spread of Ir–Si bond distances ranging from 2.38–2.46 Å. In the fourth Ir+3.25+ site, Ir+3.25+ is bonded to five Si+2.80- atoms to form distorted IrSi5 trigonal bipyramids that share corners with two equivalent DySi12 cuboctahedra, corners with two equivalent ScSi8 hexagonal bipyramids, corners with five IrSi5 trigonal bipyramids, a faceface with one DySi12 cuboctahedra, and faces with two equivalent ScSi8 hexagonal bipyramids. There are a spread of Ir–Si bond distances ranging from 2.38–2.47 Å. There are eleven inequivalent Si+2.80- sites. In the first Si+2.80- site, Si+2.80- is bonded in a 2-coordinate geometry to four equivalent Dy3+, two equivalent Sc3+, two equivalent Ir+3.25+, and one Si+2.80- atom. The Si–Si bond length is 2.36 Å. In the second Si+2.80- site, Si+2.80- is bonded in a 2-coordinate geometry to four equivalent Dy3+, two equivalent Sc3+, two equivalent Ir+3.25+, and one Si+2.80- atom. In the third Si+2.80- site, Si+2.80- is bonded in a 2-coordinate geometry to two equivalent Dy3+, four Sc3+, two Ir+3.25+, and one Si+2.80- atom. The Si–Si bond length is 2.34 Å. In the fourth Si+2.80- site, Si+2.80- is bonded in a 2-coordinate geometry to three Dy3+, two equivalent Sc3+, two Ir+3.25+, and one Si+2.80- atom. The Si–Si bond length is 2.39 Å. In the fifth Si+2.80- site, Si+2.80- is bonded in a 2-coordinate geometry to three Dy3+, two equivalent Sc3+, two Ir+3.25+, and one Si+2.80- atom. In the sixth Si+2.80- site, Si+2.80- is bonded in a 2-coordinate geometry to three Dy3+, two equivalent Sc3+, two Ir+3.25+, and one Si+2.80- atom. The Si–Si bond length is 2.39 Å. In the seventh Si+2.80- site, Si+2.80- is bonded in a 2-coordinate geometry to one Dy3+, four Sc3+, and two Ir+3.25+ atoms. In the eighth Si+2.80- site, Si+2.80- is bonded in a 2-coordinate geometry to two equivalent Dy3+, two Sc3+, two equivalent Ir+3.25+, and two Si+2.80- atoms. There are one shorter (2.78 Å) and one longer (2.79 Å) Si–Si bond lengths. In the ninth Si+2.80- site, Si+2.80- is bonded in a 2-coordinate geometry to three Dy3+, one Sc3+, two equivalent Ir+3.25+, and two Si+2.80- atoms. Both Si–Si bond lengths are 2.78 Å. In the tenth Si+2.80- site, Si+2.80- is bonded in a 2-coordinate geometry to three Dy3+, one Sc3+, two equivalent Ir+3.25+, and two Si+2.80- atoms. In the eleventh Si+2.80- site, Si+2.80- is bonded in a 2-coordinate geometry to three Dy3+, one Sc3+, two equivalent Ir+3.25+, and two Si+2.80- atoms.

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Materials Data on Dy2FeMoO7 by Materials Project

DyFeO3DyO2MoO2 crystallizes in the triclinic P-1 space group. The structure is three-dimensional and consists of two molybdenum (iv)oxide molecules; two DyO2 ribbons oriented in the (1, 0, 0) direction; and one DyFeO3 framework. In each DyO2 ribbon, Dy3+ is bonded in a distorted linear geometry to four O2- atoms. There are a spread of Dy–O bond distances ranging from 1.75–8.79 Å. There are two inequivalent O2- sites. In the first O2- site, O2- is bonded in a distorted single-bond geometry to two equivalent Dy3+ atoms. In the second O2- site, O2- is bonded in a distorted single-bond geometry to two equivalent Dy3+ atoms. In the DyFeO3 framework, there are two inequivalent Dy3+ sites. In the first Dy3+ site, Dy3+ is bonded in a distorted linear geometry to two equivalent O2- atoms. Both Dy–O bond lengths are 1.63 Å. In the second Dy3+ site, Dy3+ is bonded in a distorted linear geometry to two equivalent O2- atoms. Both Dy–O bond lengths are 1.59 Å. There are two inequivalent Fe2+ sites. In the first Fe2+ site, Fe2+ is bonded in a 6-coordinate geometry to six O2- atoms. There are a spread of Fe–O bond distances ranging from 2.33–2.68 Å. In the second Fe2+ site, Fe2+ is bonded in a linear geometry to two equivalent O2- atoms. Both Fe–O bond lengths are 1.55 Å. There are three inequivalent O2- sites. In the first O2- site, O2- is bonded in a distorted single-bond geometry to two Fe2+ atoms. In the second O2- site, O2- is bonded in a single-bond geometry to one Dy3+ and one Fe2+ atom. In the third O2- site, O2- is bonded in a 1-coordinate geometry to one Dy3+ and one Fe2+ atom.

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Materials Data on DyCdPt2 by Materials Project

DyPt2Cd 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 Pt atoms. All Dy–Pt bond lengths are 2.94 Å. Pt is bonded in a body-centered cubic geometry to four equivalent Dy and four equivalent Cd atoms. All Pt–Cd bond lengths are 2.94 Å. Cd is bonded in a body-centered cubic geometry to eight equivalent Pt atoms.

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Materials Data on Dy4Fe by Materials Project

Dy4Fe is Iron carbide-like structured and crystallizes in the cubic Fd-3m space group. The structure is zero-dimensional and consists of eight Dy4Fe clusters. Dy is bonded in a single-bond geometry to one Fe atom. The Dy–Fe bond length is 2.46 Å. Fe is bonded in a tetrahedral geometry to four equivalent Dy atoms.

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Materials Data on DyLuRu2 by Materials Project

LuDyRu2 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 Ru atoms. All Lu–Ru bond lengths are 2.92 Å. Dy is bonded in a body-centered cubic geometry to eight equivalent Ru atoms. All Dy–Ru bond lengths are 2.92 Å. Ru is bonded in a body-centered cubic geometry to four equivalent Lu and four equivalent Dy atoms.

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Materials Data on GdDyIr2 by Materials Project

DyGdIr2 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 Ir atoms. All Dy–Ir bond lengths are 2.98 Å. Gd is bonded in a body-centered cubic geometry to eight equivalent Ir atoms. All Gd–Ir bond lengths are 2.98 Å. Ir is bonded in a body-centered cubic geometry to four equivalent Dy and four equivalent Gd atoms.

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Materials Data on GdDyZn2 by Materials Project

DyGdZn2 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 3.11 Å. Gd is bonded in a body-centered cubic geometry to eight equivalent Zn atoms. All Gd–Zn bond lengths are 3.11 Å. Zn is bonded in a body-centered cubic geometry to four equivalent Dy and four equivalent Gd atoms.

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Materials Data on DyTmIn2 by Materials Project

TmDyIn2 is Heusler structured and crystallizes in the cubic Fm-3m space group. The structure is three-dimensional. Tm is bonded in a body-centered cubic geometry to eight equivalent In atoms. All Tm–In bond lengths are 3.24 Å. Dy is bonded in a body-centered cubic geometry to eight equivalent In atoms. All Dy–In bond lengths are 3.24 Å. In is bonded in a body-centered cubic geometry to four equivalent Tm and four equivalent Dy atoms.

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