cometadata/datacite-titles-descriptions-related-identifiers huggingface dataset:
DOI: 10.17188/1751161
title: Materials Data on Li2Fe2Si3O10 by Materials Project

description: Computed materials data using density functional theory calculations. These calculations determine the electronic structure of bulk materials by solving approximations to the Schrodinger equation. For more information, see https://materialsproject.org/docs/calculations
DOI: 10.17188/1751162
title: Materials Data on LiMnP2HO7 by Materials Project

description: Computed materials data using density functional theory calculations. These calculations determine the electronic structure of bulk materials by solving approximations to the Schrodinger equation. For more information, see https://materialsproject.org/docs/calculations
DOI: 10.17188/1751163
title: Materials Data on La3MnW(SO2)3 by Materials Project

description: Computed materials data using density functional theory calculations. These calculations determine the electronic structure of bulk materials by solving approximations to the Schrodinger equation. For more information, see https://materialsproject.org/docs/calculations
DOI: 10.17188/1751164
title: Materials Data on Th3Se by Materials Project

description: Th3Se is Uranium Silicide-like structured and crystallizes in the hexagonal P6_3/mmc space group. The structure is three-dimensional. Th is bonded in a distorted see-saw-like geometry to four equivalent Se atoms. There are two shorter (3.40 Å) and two longer (3.43 Å) Th–Se bond lengths. Se is bonded to twelve equivalent Th atoms to form a mixture of face and corner-sharing SeTh12 cuboctahedra.
DOI: 10.17188/1751165
title: Materials Data on Dy3Si11Pt23 by Materials Project

description: Dy3Pt23Si11 crystallizes in the cubic Fm-3m space group. The structure is three-dimensional. Dy3+ is bonded to eight equivalent Pt+1.26- atoms to form distorted corner-sharing DyPt8 cuboctahedra. All Dy–Pt bond lengths are 3.16 Å. There are four inequivalent Pt+1.26- sites. In the first Pt+1.26- site, Pt+1.26- is bonded in a distorted square co-planar geometry to four equivalent Si+1.82+ atoms. All Pt–Si bond lengths are 2.58 Å. In the second Pt+1.26- site, Pt+1.26- is bonded in a 3-coordinate geometry to two equivalent Dy3+ and three Si+1.82+ atoms. There are one shorter (2.43 Å) and two longer (2.46 Å) Pt–Si bond lengths. In the third Pt+1.26- site, Pt+1.26- is bonded to four Si+1.82+ atoms to form a mixture of corner and edge-sharing PtSi4 tetrahedra. There are one shorter (2.43 Å) and three longer (2.49 Å) Pt–Si bond lengths. In the fourth Pt+1.26- site, Pt+1.26- is bonded to four Si+1.82+ atoms to form a mixture of distorted corner and edge-sharing PtSi4 tetrahedra. All Pt–Si bond lengths are 2.51 Å. There are three inequivalent Si+1.82+ sites. In the first Si+1.82+ site, Si+1.82+ is bonded in a 7-coordinate geometry to seven Pt+1.26- atoms. In the second Si+1.82+ site, Si+1.82+ is bonded in a body-centered cubic geometry to eight Pt+1.26- atoms. In the third Si+1.82+ site, Si+1.82+ is bonded in a 7-coordinate geometry to seven Pt+1.26- atoms.
DOI: 10.17188/1751166
title: Materials Data on Zr2CdTc by Materials Project

description: Zr2TcCd crystallizes in the orthorhombic Immm space group. The structure is one-dimensional and consists of two Zr2TcCd ribbons oriented in the (1, 0, 0) direction. Zr is bonded in a linear geometry to one Tc and one Cd atom. The Zr–Tc bond length is 2.25 Å. The Zr–Cd bond length is 3.14 Å. Tc is bonded in a linear geometry to two equivalent Zr atoms. Cd is bonded in a linear geometry to two equivalent Zr atoms.
DOI: 10.17188/1751167
title: Materials Data on LiLaTl2 by Materials Project

description: LiLaTl2 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 Tl atoms. All Li–Tl bond lengths are 3.29 Å. La is bonded in a body-centered cubic geometry to eight equivalent Tl atoms. All La–Tl bond lengths are 3.29 Å. Tl is bonded in a body-centered cubic geometry to four equivalent Li and four equivalent La atoms.
DOI: 10.17188/1751168
title: Materials Data on La4HoC10 by Materials Project

description: HoLa4C10 crystallizes in the orthorhombic Fmmm space group. The structure is three-dimensional. Ho3+ is bonded in a distorted q4 geometry to ten C+1.50- atoms. There are a spread of Ho–C bond distances ranging from 2.60–2.85 Å. There are two inequivalent La3+ sites. In the first La3+ site, La3+ is bonded in a distorted q4 geometry to ten C+1.50- atoms. There are a spread of La–C bond distances ranging from 2.60–2.86 Å. In the second La3+ site, La3+ is bonded in a distorted q4 geometry to ten C+1.50- atoms. There are a spread of La–C bond distances ranging from 2.60–2.92 Å. There are three inequivalent C+1.50- sites. In the first C+1.50- site, C+1.50- is bonded in a 6-coordinate geometry to one Ho3+, four La3+, and one C+1.50- atom. The C–C bond length is 1.30 Å. In the second C+1.50- site, C+1.50- is bonded in a 6-coordinate geometry to five La3+ and one C+1.50- atom. The C–C bond length is 1.30 Å. In the third C+1.50- site, C+1.50- is bonded in a 6-coordinate geometry to three equivalent Ho3+, two equivalent La3+, and one C+1.50- atom. The C–C bond length is 1.30 Å.
DOI: 10.17188/1751171
title: Materials Data on BaFePHO5 by Materials Project

description: BaFePHO5 crystallizes in the orthorhombic P2_12_12_1 space group. The structure is three-dimensional. Ba2+ is bonded in a 12-coordinate geometry to two equivalent H1+ and ten O2- atoms. There are one shorter (2.67 Å) and one longer (2.71 Å) Ba–H bond lengths. There are a spread of Ba–O bond distances ranging from 2.71–3.37 Å. Fe2+ is bonded to five O2- atoms to form distorted FeO5 trigonal bipyramids that share corners with four equivalent PO4 tetrahedra. There are a spread of Fe–O bond distances ranging from 2.00–2.30 Å. P5+ is bonded to four O2- atoms to form PO4 tetrahedra that share corners with four equivalent FeO5 trigonal bipyramids. There are a spread of P–O bond distances ranging from 1.55–1.57 Å. H1+ is bonded in a single-bond geometry to two equivalent Ba2+ and one O2- atom. The H–O bond length is 0.98 Å. There are five inequivalent O2- sites. In the first O2- site, O2- is bonded in a 1-coordinate geometry to two equivalent Ba2+, one Fe2+, and one H1+ atom. In the second O2- site, O2- is bonded in a 2-coordinate geometry to two equivalent Ba2+, one Fe2+, and one P5+ atom. In the third O2- site, O2- is bonded in a 2-coordinate geometry to two equivalent Ba2+, one Fe2+, and one P5+ atom. In the fourth O2- site, O2- is bonded in a 4-coordinate geometry to two equivalent Ba2+, one Fe2+, and one P5+ atom. In the fifth O2- site, O2- is bonded in a 1-coordinate geometry to two equivalent Ba2+, one Fe2+, and one P5+ atom.
DOI: 10.17188/1751172
title: Materials Data on YbPd by Materials Project

description: YbPd crystallizes in the orthorhombic Pnma space group. The structure is three-dimensional. Yb is bonded in a 7-coordinate geometry to seven equivalent Pd atoms. There are a spread of Yb–Pd bond distances ranging from 2.93–3.04 Å. Pd is bonded in a 7-coordinate geometry to seven equivalent Yb and two equivalent Pd atoms. Both Pd–Pd bond lengths are 2.81 Å.
DOI: 10.17188/1751173
title: Materials Data on BaNaTl2 by Materials Project

description: NaBaTl2 crystallizes in the orthorhombic Immm space group. The structure is one-dimensional and consists of two NaBaTl2 ribbons oriented in the (1, 0, 0) direction. Na is bonded in a linear geometry to two equivalent Tl atoms. Both Na–Tl bond lengths are 3.07 Å. Ba is bonded in a linear geometry to two equivalent Tl atoms. Both Ba–Tl bond lengths are 3.24 Å. Tl is bonded in a linear geometry to one Na and one Ba atom.
DOI: 10.17188/1751174
title: Materials Data on Mg2ScV3S8 by Materials Project

description: Computed materials data using density functional theory calculations. These calculations determine the electronic structure of bulk materials by solving approximations to the Schrodinger equation. For more information, see https://materialsproject.org/docs/calculations
DOI: 10.17188/1751175
title: Materials Data on Li2Fe2(SiO3)3 by Materials Project

description: Computed materials data using density functional theory calculations. These calculations determine the electronic structure of bulk materials by solving approximations to the Schrodinger equation. For more information, see https://materialsproject.org/docs/calculations
DOI: 10.17188/1751176
title: Materials Data on Pr2Ge5Ir3 by Materials Project

description: Pr2Ir3Ge5 crystallizes in the orthorhombic Ibam space group. The structure is three-dimensional. Pr is bonded in a 1-coordinate geometry to seven Ir and ten Ge atoms. There are a spread of Pr–Ir bond distances ranging from 3.19–3.59 Å. There are a spread of Pr–Ge bond distances ranging from 3.04–3.39 Å. There are two inequivalent Ir sites. In the first Ir site, Ir is bonded in a 6-coordinate geometry to four equivalent Pr and six Ge atoms. There are four shorter (2.56 Å) and two longer (2.70 Å) Ir–Ge bond lengths. In the second Ir site, Ir is bonded in a 10-coordinate geometry to five equivalent Pr and five Ge atoms. There are a spread of Ir–Ge bond distances ranging from 2.44–2.55 Å. There are three inequivalent Ge sites. In the first Ge site, Ge is bonded in a 8-coordinate geometry to four equivalent Pr and four equivalent Ir atoms. In the second Ge site, Ge is bonded in a 2-coordinate geometry to four equivalent Pr, three Ir, and two equivalent Ge atoms. Both Ge–Ge bond lengths are 2.71 Å. In the third Ge site, Ge is bonded in a 9-coordinate geometry to four equivalent Pr, three Ir, and two equivalent Ge atoms.
DOI: 10.17188/1751177
title: Materials Data on Rb2InGaCl6 by Materials Project

description: Computed materials data using density functional theory calculations. These calculations determine the electronic structure of bulk materials by solving approximations to the Schrodinger equation. For more information, see https://materialsproject.org/docs/calculations
DOI: 10.17188/1751178
title: Materials Data on NaMo2(PO4)3 by Materials Project

description: Computed materials data using density functional theory calculations. These calculations determine the electronic structure of bulk materials by solving approximations to the Schrodinger equation. For more information, see https://materialsproject.org/docs/calculations
DOI: 10.17188/1751179
title: Materials Data on SmU2Se5 by Materials Project

description: U2SmSe5 crystallizes in the orthorhombic Pna2_1 space group. The structure is three-dimensional. there are two inequivalent U+3.50+ sites. In the first U+3.50+ site, U+3.50+ is bonded to seven Se2- atoms to form distorted edge-sharing USe7 pentagonal bipyramids. There are a spread of U–Se bond distances ranging from 2.78–2.99 Å. In the second U+3.50+ site, U+3.50+ is bonded in a 8-coordinate geometry to eight Se2- atoms. There are a spread of U–Se bond distances ranging from 2.96–3.16 Å. Sm3+ is bonded in a 8-coordinate geometry to eight Se2- atoms. There are a spread of Sm–Se bond distances ranging from 2.99–3.16 Å. There are five inequivalent Se2- sites. In the first Se2- site, Se2- is bonded to three U+3.50+ and one Sm3+ atom to form distorted SeSmU3 trigonal pyramids that share corners with six SeSm2U3 square pyramids, corners with two equivalent SeSm2U3 trigonal bipyramids, corners with six SeSmU3 trigonal pyramids, edges with three SeSm2U3 square pyramids, edges with two equivalent SeSm2U3 trigonal bipyramids, and an edgeedge with one SeSmU3 trigonal pyramid. In the second Se2- site, Se2- is bonded to three U+3.50+ and one Sm3+ atom to form distorted SeSmU3 trigonal pyramids that share corners with six SeSm2U3 square pyramids, corners with two equivalent SeSm2U3 trigonal bipyramids, corners with six SeSmU3 trigonal pyramids, edges with three SeSm2U3 square pyramids, edges with two equivalent SeSm2U3 trigonal bipyramids, and an edgeedge with one SeSmU3 trigonal pyramid. In the third Se2- site, Se2- is bonded to three U+3.50+ and two equivalent Sm3+ atoms to form SeSm2U3 square pyramids that share corners with four equivalent SeSm2U3 square pyramids, corners with five equivalent SeSm2U3 trigonal bipyramids, corners with eight SeSmU3 trigonal pyramids, edges with three SeSm2U3 square pyramids, edges with two equivalent SeSm2U3 trigonal bipyramids, edges with two SeSmU3 trigonal pyramids, and a faceface with one SeSm2U3 square pyramid. In the fourth Se2- site, Se2- is bonded to three U+3.50+ and two equivalent Sm3+ atoms to form distorted SeSm2U3 trigonal bipyramids that share corners with six SeSm2U3 square pyramids, corners with four equivalent SeSm2U3 trigonal bipyramids, corners with four SeSmU3 trigonal pyramids, edges with six SeSm2U3 square pyramids, and edges with four SeSmU3 trigonal pyramids. In the fifth Se2- site, Se2- is bonded to three U+3.50+ and two equivalent Sm3+ atoms to form distorted SeSm2U3 square pyramids that share corners with eight SeSm2U3 square pyramids, a cornercorner with one SeSm2U3 trigonal bipyramid, corners with four SeSmU3 trigonal pyramids, an edgeedge with one SeSm2U3 square pyramid, edges with four equivalent SeSm2U3 trigonal bipyramids, edges with four SeSmU3 trigonal pyramids, and a faceface with one SeSm2U3 square pyramid.
DOI: 10.17188/1751180
title: Materials Data on Na2Zn2S3 by Materials Project

description: Na2Zn2S3 is Hausmannite-derived structured and crystallizes in the tetragonal P4_32_12 space group. The structure is three-dimensional. Na1+ is bonded in a 4-coordinate geometry to four S2- atoms. There are a spread of Na–S bond distances ranging from 2.76–3.01 Å. Zn2+ is bonded to four S2- atoms to form a mixture of edge and corner-sharing ZnS4 tetrahedra. There are a spread of Zn–S bond distances ranging from 2.32–2.49 Å. There are two inequivalent S2- sites. In the first S2- site, S2- is bonded to three equivalent Na1+ and three equivalent Zn2+ atoms to form distorted SNa3Zn3 octahedra that share corners with six equivalent SNa2Zn2 trigonal pyramids and edges with six equivalent SNa3Zn3 octahedra. In the second S2- site, S2- is bonded to two equivalent Na1+ and two equivalent Zn2+ atoms to form distorted corner-sharing SNa2Zn2 trigonal pyramids. The corner-sharing octahedra tilt angles range from 47–67°.
DOI: 10.17188/1751181
title: Materials Data on KNa2NiO2 by Materials Project

description: KNa2NiO2 crystallizes in the tetragonal I4mm space group. The structure is three-dimensional. K1+ is bonded in a single-bond geometry to one O2- atom. The K–O bond length is 2.84 Å. Na1+ is bonded in a distorted see-saw-like geometry to four O2- atoms. There are two shorter (2.31 Å) and two longer (2.47 Å) Na–O bond lengths. Ni1+ is bonded in a linear geometry to two O2- atoms. Both Ni–O bond lengths are 1.80 Å. There are two inequivalent O2- sites. In the first O2- site, O2- is bonded in a 5-coordinate geometry to one K1+, four equivalent Na1+, and one Ni1+ atom. In the second O2- site, O2- is bonded in a 1-coordinate geometry to four equivalent Na1+ and one Ni1+ atom.
DOI: 10.17188/1751182
title: Materials Data on CuWO4 by Materials Project

description: CuWO4 crystallizes in the monoclinic P2/c space group. The structure is three-dimensional. W6+ is bonded to six O2- atoms to form distorted WO6 octahedra that share corners with eight equivalent CuO6 octahedra and edges with two equivalent WO6 octahedra. The corner-sharing octahedra tilt angles range from 42–57°. There are a spread of W–O bond distances ranging from 1.83–2.14 Å. Cu2+ is bonded to six O2- atoms to form CuO6 octahedra that share corners with eight equivalent WO6 octahedra and edges with two equivalent CuO6 octahedra. The corner-sharing octahedra tilt angles range from 42–57°. There are a spread of Cu–O bond distances ranging from 2.00–2.32 Å. There are two inequivalent O2- sites. In the first O2- site, O2- is bonded in a distorted trigonal planar geometry to two equivalent W6+ and one Cu2+ atom. In the second O2- site, O2- is bonded in a 3-coordinate geometry to one W6+ and two equivalent Cu2+ atoms.
DOI: 10.17188/1751183
title: Materials Data on LiFeO3 by Materials Project

description: Computed materials data using density functional theory calculations. These calculations determine the electronic structure of bulk materials by solving approximations to the Schrodinger equation. For more information, see https://materialsproject.org/docs/calculations
DOI: 10.17188/1751184
title: Materials Data on Ti2AlO4 by Materials Project

description: Computed materials data using density functional theory calculations. These calculations determine the electronic structure of bulk materials by solving approximations to the Schrodinger equation. For more information, see https://materialsproject.org/docs/calculations
DOI: 10.17188/1751185
title: Materials Data on Li4Fe3Co2Cu3O16 by Materials Project

description: Computed materials data using density functional theory calculations. These calculations determine the electronic structure of bulk materials by solving approximations to the Schrodinger equation. For more information, see https://materialsproject.org/docs/calculations
DOI: 10.17188/1751186
title: Materials Data on Nd2ZnRu by Materials Project

description: Nd2RuZn is Heusler structured and crystallizes in the cubic Fm-3m space group. The structure is three-dimensional. Nd is bonded in a body-centered cubic geometry to four equivalent Ru and four equivalent Zn atoms. All Nd–Ru bond lengths are 3.12 Å. All Nd–Zn bond lengths are 3.12 Å. Ru is bonded in a body-centered cubic geometry to eight equivalent Nd atoms. Zn is bonded in a body-centered cubic geometry to eight equivalent Nd atoms.
DOI: 10.17188/1751187
title: Materials Data on Zn2P3C(NO4)3 by Materials Project

description: Zn2(PO4)3CN3 crystallizes in the monoclinic P2_1 space group. The structure is three-dimensional and consists of two guanidine molecules and one Zn2(PO4)3 framework. In the Zn2(PO4)3 framework, there are two inequivalent Zn2+ sites. In the first Zn2+ site, Zn2+ is bonded to four O2- atoms to form ZnO4 tetrahedra that share corners with four PO4 tetrahedra. There are a spread of Zn–O bond distances ranging from 1.93–1.97 Å. In the second Zn2+ site, Zn2+ is bonded to four O2- atoms to form ZnO4 tetrahedra that share corners with four PO4 tetrahedra. There are a spread of Zn–O bond distances ranging from 1.93–1.96 Å. There are three inequivalent P5+ sites. In the first P5+ site, P5+ is bonded to four O2- atoms to form PO4 tetrahedra that share corners with three equivalent ZnO4 tetrahedra. There are a spread of P–O bond distances ranging from 1.53–1.55 Å. In the second P5+ site, P5+ is bonded to four O2- atoms to form PO4 tetrahedra that share corners with three equivalent ZnO4 tetrahedra. There are a spread of P–O bond distances ranging from 1.53–1.55 Å. In the third P5+ site, P5+ is bonded to four O2- atoms to form PO4 tetrahedra that share corners with two ZnO4 tetrahedra. There is two shorter (1.53 Å) and two longer (1.55 Å) P–O bond length. There are twelve inequivalent O2- sites. In the first O2- site, O2- is bonded in a bent 150 degrees geometry to one Zn2+ and one P5+ atom. In the second O2- site, O2- is bonded in a single-bond geometry to one P5+ atom. In the third O2- site, O2- is bonded in a single-bond geometry to one P5+ atom. In the fourth O2- site, O2- is bonded in a single-bond geometry to one P5+ atom. In the fifth O2- site, O2- is bonded in a single-bond geometry to one P5+ atom. In the sixth O2- site, O2- is bonded in a bent 120 degrees geometry to one Zn2+ and one P5+ atom. In the seventh O2- site, O2- is bonded in a distorted bent 150 degrees geometry to one Zn2+ and one P5+ atom. In the eighth O2- site, O2- is bonded in a bent 150 degrees geometry to one Zn2+ and one P5+ atom. In the ninth O2- site, O2- is bonded in a distorted bent 120 degrees geometry to one Zn2+ and one P5+ atom. In the tenth O2- site, O2- is bonded in a bent 150 degrees geometry to one Zn2+ and one P5+ atom. In the eleventh O2- site, O2- is bonded in a distorted bent 120 degrees geometry to one Zn2+ and one P5+ atom. In the twelfth O2- site, O2- is bonded in a distorted bent 120 degrees geometry to one Zn2+ and one P5+ atom.
DOI: 10.17188/1751188
title: Materials Data on Nd5Co2 by Materials Project

description: Co2Nd5 crystallizes in the monoclinic C2/c space group. The structure is three-dimensional. there are three inequivalent Nd sites. In the first Nd site, Nd is bonded in a distorted bent 150 degrees geometry to two equivalent Co atoms. There are one shorter (2.71 Å) and one longer (2.85 Å) Nd–Co bond lengths. In the second Nd site, Nd is bonded to four equivalent Co atoms to form distorted edge-sharing NdCo4 tetrahedra. There are two shorter (2.92 Å) and two longer (2.98 Å) Nd–Co bond lengths. In the third Nd site, Nd is bonded in a 3-coordinate geometry to three equivalent Co atoms. There are a spread of Nd–Co bond distances ranging from 2.80–3.23 Å. Co is bonded in a 7-coordinate geometry to seven Nd atoms.
DOI: 10.17188/1751189
title: Materials Data on ErCoRu by Materials Project

description: ErRuCo crystallizes in the orthorhombic Imma space group. The structure is three-dimensional. Er is bonded in a 12-coordinate geometry to six equivalent Ru and six equivalent Co atoms. There are four shorter (3.02 Å) and two longer (3.05 Å) Er–Ru bond lengths. There are four shorter (3.02 Å) and two longer (3.06 Å) Er–Co bond lengths. Ru is bonded to six equivalent Er, two equivalent Ru, and four equivalent Co atoms to form RuEr6Co4Ru2 cuboctahedra that share corners with eight equivalent CoEr6Co2Ru4 cuboctahedra, corners with ten equivalent RuEr6Co4Ru2 cuboctahedra, edges with six equivalent RuEr6Co4Ru2 cuboctahedra, faces with six equivalent RuEr6Co4Ru2 cuboctahedra, and faces with twelve equivalent CoEr6Co2Ru4 cuboctahedra. Both Ru–Ru bond lengths are 2.57 Å. All Ru–Co bond lengths are 2.59 Å. Co is bonded to six equivalent Er, four equivalent Ru, and two equivalent Co atoms to form CoEr6Co2Ru4 cuboctahedra that share corners with eight equivalent RuEr6Co4Ru2 cuboctahedra, corners with ten equivalent CoEr6Co2Ru4 cuboctahedra, edges with six equivalent CoEr6Co2Ru4 cuboctahedra, faces with six equivalent CoEr6Co2Ru4 cuboctahedra, and faces with twelve equivalent RuEr6Co4Ru2 cuboctahedra. Both Co–Co bond lengths are 2.57 Å.
DOI: 10.17188/1751190
title: Materials Data on Nd3Dy by Materials Project

description: DyNd3 is beta Cu3Ti-like structured and crystallizes in the hexagonal P6_3/mmc space group. The structure is three-dimensional. Dy is bonded to twelve equivalent Nd atoms to form DyNd12 cuboctahedra that share corners with six equivalent DyNd12 cuboctahedra, corners with twelve equivalent NdNd8Dy4 cuboctahedra, edges with eighteen equivalent NdNd8Dy4 cuboctahedra, faces with eight equivalent DyNd12 cuboctahedra, and faces with twelve equivalent NdNd8Dy4 cuboctahedra. There are six shorter (3.66 Å) and six longer (3.67 Å) Dy–Nd bond lengths. Nd is bonded to four equivalent Dy and eight equivalent Nd atoms to form NdNd8Dy4 cuboctahedra that share corners with four equivalent DyNd12 cuboctahedra, corners with fourteen equivalent NdNd8Dy4 cuboctahedra, edges with six equivalent DyNd12 cuboctahedra, edges with twelve equivalent NdNd8Dy4 cuboctahedra, faces with four equivalent DyNd12 cuboctahedra, and faces with sixteen equivalent NdNd8Dy4 cuboctahedra. There are a spread of Nd–Nd bond distances ranging from 3.65–3.68 Å.