cometadata/datacite-titles-descriptions-related-identifiers huggingface dataset:
DOI: 10.17188/1316111
title: Materials Data on TbAgSe2 by Materials Project

description: TbAgSe2 is Caswellsilverite-like structured and crystallizes in the tetragonal I4_1md space group. The structure is three-dimensional. Tb3+ is bonded to six Se2- atoms to form TbSe6 octahedra that share corners with two equivalent AgSe6 octahedra, corners with four equivalent TbSe6 octahedra, edges with four equivalent TbSe6 octahedra, and edges with eight equivalent AgSe6 octahedra. The corner-sharing octahedra tilt angles range from 0–5°. There are a spread of Tb–Se bond distances ranging from 2.88–2.90 Å. Ag1+ is bonded to six Se2- atoms to form AgSe6 octahedra that share corners with two equivalent TbSe6 octahedra, corners with four equivalent AgSe6 octahedra, edges with four equivalent AgSe6 octahedra, and edges with eight equivalent TbSe6 octahedra. The corner-sharing octahedra tilt angles range from 0–7°. There are a spread of Ag–Se bond distances ranging from 2.88–3.19 Å. There are two inequivalent Se2- sites. In the first Se2- site, Se2- is bonded to three equivalent Tb3+ and three equivalent Ag1+ atoms to form a mixture of edge and corner-sharing SeTb3Ag3 octahedra. The corner-sharing octahedra tilt angles range from 0–7°. In the second Se2- site, Se2- is bonded to three equivalent Tb3+ and three equivalent Ag1+ atoms to form a mixture of edge and corner-sharing SeTb3Ag3 octahedra. The corner-sharing octahedra tilt angles range from 0–5°.
DOI: 10.17188/1316112
title: Materials Data on TePdO3 by Materials Project

description: PdTeO3 is (Cubic) Perovskite structured and crystallizes in the cubic Pm-3m space group. The structure is three-dimensional. Pd2+ is bonded to twelve equivalent O2- atoms to form PdO12 cuboctahedra that share corners with twelve equivalent PdO12 cuboctahedra, faces with six equivalent PdO12 cuboctahedra, and faces with eight equivalent TeO6 octahedra. All Pd–O bond lengths are 2.87 Å. Te4+ is bonded to six equivalent O2- atoms to form TeO6 octahedra that share corners with six equivalent TeO6 octahedra and faces with eight equivalent PdO12 cuboctahedra. The corner-sharing octahedral tilt angles are 0°. All Te–O bond lengths are 2.03 Å. O2- is bonded in a linear geometry to four equivalent Pd2+ and two equivalent Te4+ atoms.
DOI: 10.17188/1316113
title: Materials Data on TePd3 by Materials Project

description: Pd3Te is alpha bismuth trifluoride structured and crystallizes in the tetragonal I4/mmm space group. The structure is three-dimensional. there are two inequivalent Pd sites. In the first Pd site, Pd is bonded to eight Pd and four equivalent Te atoms to form PdTe4Pd8 cuboctahedra that share corners with twelve equivalent PdTe4Pd8 cuboctahedra, edges with eight equivalent TePd12 cuboctahedra, edges with sixteen PdTe4Pd8 cuboctahedra, faces with four equivalent TePd12 cuboctahedra, and faces with fourteen PdTe4Pd8 cuboctahedra. There are four shorter (2.86 Å) and four longer (2.98 Å) Pd–Pd bond lengths. All Pd–Te bond lengths are 2.86 Å. In the second Pd site, Pd is bonded to eight equivalent Pd and four equivalent Te atoms to form PdTe4Pd8 cuboctahedra that share corners with four equivalent PdTe4Pd8 cuboctahedra, corners with eight equivalent TePd12 cuboctahedra, edges with twenty-four PdTe4Pd8 cuboctahedra, faces with six equivalent TePd12 cuboctahedra, and faces with twelve PdTe4Pd8 cuboctahedra. All Pd–Te bond lengths are 2.98 Å. Te is bonded to twelve Pd atoms to form TePd12 cuboctahedra that share corners with four equivalent TePd12 cuboctahedra, corners with eight equivalent PdTe4Pd8 cuboctahedra, edges with eight equivalent TePd12 cuboctahedra, edges with sixteen equivalent PdTe4Pd8 cuboctahedra, faces with four equivalent TePd12 cuboctahedra, and faces with fourteen PdTe4Pd8 cuboctahedra.
DOI: 10.17188/1316114
title: Materials Data on UAg3 by Materials Project

description: UAg3 is alpha bismuth trifluoride structured and crystallizes in the tetragonal I4/mmm space group. The structure is three-dimensional. U is bonded in a distorted body-centered cubic geometry to twelve Ag atoms. There are eight shorter (3.05 Å) and four longer (3.39 Å) U–Ag bond lengths. There are two inequivalent Ag sites. In the first Ag site, Ag is bonded to four equivalent U and four equivalent Ag atoms to form distorted AgU4Ag4 tetrahedra that share corners with eight equivalent AgU4Ag8 cuboctahedra, corners with eight equivalent AgU4Ag4 tetrahedra, edges with four equivalent AgU4Ag8 cuboctahedra, edges with twelve equivalent AgU4Ag4 tetrahedra, and faces with six equivalent AgU4Ag4 tetrahedra. All Ag–Ag bond lengths are 3.05 Å. In the second Ag site, Ag is bonded to four equivalent U and eight equivalent Ag atoms to form distorted AgU4Ag8 cuboctahedra that share corners with four equivalent AgU4Ag8 cuboctahedra, corners with sixteen equivalent AgU4Ag4 tetrahedra, edges with eight equivalent AgU4Ag8 cuboctahedra, edges with eight equivalent AgU4Ag4 tetrahedra, and faces with four equivalent AgU4Ag8 cuboctahedra.
DOI: 10.17188/1316115
title: Materials Data on TbU3 by Materials Project

description: U3Tb is beta Cu3Ti-like structured and crystallizes in the tetragonal I4/mmm space group. The structure is three-dimensional. there are two inequivalent U sites. In the first U site, U is bonded to eight U and four equivalent Tb atoms to form UTb4U8 cuboctahedra that share corners with twelve equivalent UTb4U8 cuboctahedra, edges with eight equivalent TbU12 cuboctahedra, edges with sixteen UTb4U8 cuboctahedra, faces with four equivalent TbU12 cuboctahedra, and faces with fourteen UTb4U8 cuboctahedra. There are four shorter (3.12 Å) and four longer (3.24 Å) U–U bond lengths. All U–Tb bond lengths are 3.24 Å. In the second U site, U is bonded to eight equivalent U and four equivalent Tb atoms to form distorted UTb4U8 cuboctahedra that share corners with four equivalent UTb4U8 cuboctahedra, corners with eight equivalent TbU12 cuboctahedra, edges with twenty-four UTb4U8 cuboctahedra, faces with six equivalent TbU12 cuboctahedra, and faces with twelve UTb4U8 cuboctahedra. All U–Tb bond lengths are 3.12 Å. Tb is bonded to twelve U atoms to form TbU12 cuboctahedra that share corners with four equivalent TbU12 cuboctahedra, corners with eight equivalent UTb4U8 cuboctahedra, edges with eight equivalent TbU12 cuboctahedra, edges with sixteen equivalent UTb4U8 cuboctahedra, faces with four equivalent TbU12 cuboctahedra, and faces with fourteen UTb4U8 cuboctahedra.
DOI: 10.17188/1316116
title: Materials Data on Xe by Materials Project

description: Xe is Tungsten structured and crystallizes in the cubic Im-3m space group. The structure is zero-dimensional and consists of two xenon molecules. Xe is bonded in a 1-coordinate geometry to atoms.
DOI: 10.17188/1316117
title: Materials Data on TbLuHg2 by Materials Project

description: LuTbHg2 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 Hg atoms. All Lu–Hg bond lengths are 3.20 Å. Tb is bonded in a body-centered cubic geometry to eight equivalent Hg atoms. All Tb–Hg bond lengths are 3.20 Å. Hg is bonded in a body-centered cubic geometry to four equivalent Lu and four equivalent Tb atoms.
DOI: 10.17188/1316118
title: Materials Data on TaW3 by Materials Project

description: TaW3 is alpha bismuth trifluoride structured and crystallizes in the cubic Fm-3m space group. The structure is three-dimensional. Ta is bonded in a distorted body-centered cubic geometry to fourteen W atoms. There are eight shorter (2.78 Å) and six longer (3.22 Å) Ta–W bond lengths. There are two inequivalent W sites. In the first W site, W is bonded to four equivalent Ta and four equivalent W atoms to form a mixture of distorted edge, corner, and face-sharing WTa4W4 tetrahedra. All W–W bond lengths are 2.78 Å. In the second W site, W is bonded in a 8-coordinate geometry to six equivalent Ta and eight equivalent W atoms.
DOI: 10.17188/1316119
title: Materials Data on TaZnOs2 by Materials Project

description: TaOs2Zn is Heusler structured and crystallizes in the cubic Fm-3m space group. The structure is three-dimensional. Ta is bonded in a body-centered cubic geometry to eight equivalent Os atoms. All Ta–Os bond lengths are 2.70 Å. Os is bonded in a body-centered cubic geometry to four equivalent Ta and four equivalent Zn atoms. All Os–Zn bond lengths are 2.70 Å. Zn is bonded in a body-centered cubic geometry to eight equivalent Os atoms.
DOI: 10.17188/1316120
title: Materials Data on SmY3 by Materials Project

description: SmY3 is Magnesium-derived structured and crystallizes in the hexagonal P6_3/mmc space group. The structure is three-dimensional. Sm is bonded to twelve equivalent Y atoms to form SmY12 cuboctahedra that share corners with six equivalent SmY12 cuboctahedra, corners with twelve equivalent YSm4Y8 cuboctahedra, edges with eighteen equivalent YSm4Y8 cuboctahedra, faces with eight equivalent SmY12 cuboctahedra, and faces with twelve equivalent YSm4Y8 cuboctahedra. There are six shorter (3.57 Å) and six longer (3.66 Å) Sm–Y bond lengths. Y is bonded to four equivalent Sm and eight equivalent Y atoms to form YSm4Y8 cuboctahedra that share corners with four equivalent SmY12 cuboctahedra, corners with fourteen equivalent YSm4Y8 cuboctahedra, edges with six equivalent SmY12 cuboctahedra, edges with twelve equivalent YSm4Y8 cuboctahedra, faces with four equivalent SmY12 cuboctahedra, and faces with sixteen equivalent YSm4Y8 cuboctahedra. There are a spread of Y–Y bond distances ranging from 3.56–3.66 Å.
DOI: 10.17188/1316121
title: Materials Data on Sm3I by Materials Project

description: Sm3I crystallizes in the hexagonal P6_3/mmc space group. The structure is three-dimensional. Sm is bonded in a distorted see-saw-like geometry to four equivalent I atoms. There are two shorter (3.51 Å) and two longer (3.53 Å) Sm–I bond lengths. I is bonded to twelve equivalent Sm atoms to form a mixture of corner and face-sharing ISm12 cuboctahedra.
DOI: 10.17188/1316122
title: Materials Data on SrAgO3 by Materials Project

description: SrAgO3 is (Cubic) Perovskite structured and crystallizes in the cubic Pm-3m space group. The structure is three-dimensional. Sr is bonded to twelve equivalent O atoms to form SrO12 cuboctahedra that share corners with twelve equivalent SrO12 cuboctahedra, faces with six equivalent SrO12 cuboctahedra, and faces with eight equivalent AgO6 octahedra. All Sr–O bond lengths are 2.91 Å. Ag is bonded to six equivalent O atoms to form AgO6 octahedra that share corners with six equivalent AgO6 octahedra and faces with eight equivalent SrO12 cuboctahedra. The corner-sharing octahedral tilt angles are 0°. All Ag–O bond lengths are 2.06 Å. O is bonded to four equivalent Sr and two equivalent Ag atoms to form a mixture of distorted corner, edge, and face-sharing OSr4Ag2 octahedra. The corner-sharing octahedra tilt angles range from 0–60°.
DOI: 10.17188/1316123
title: Materials Data on Ba3BAsO3 by Materials Project

description: Ba3BAsO3 crystallizes in the hexagonal P6_3/mmc space group. The structure is three-dimensional. there are two inequivalent Ba2+ sites. In the first Ba2+ site, Ba2+ is bonded in a 6-coordinate geometry to three equivalent As3- and three equivalent O2- atoms. All Ba–As bond lengths are 3.53 Å. All Ba–O bond lengths are 2.77 Å. In the second Ba2+ site, Ba2+ is bonded to two equivalent As3- and six equivalent O2- atoms to form distorted corner-sharing BaAs2O6 hexagonal bipyramids. Both Ba–As bond lengths are 3.51 Å. All Ba–O bond lengths are 2.81 Å. B3+ is bonded in a trigonal planar geometry to three equivalent O2- atoms. All B–O bond lengths are 1.40 Å. As3- is bonded in a body-centered cubic geometry to eight Ba2+ atoms. O2- is bonded in a distorted single-bond geometry to four Ba2+ and one B3+ atom.
DOI: 10.17188/1316124
title: Materials Data on Sm3Cd by Materials Project

description: Sm3Cd is beta Cu3Ti-like structured and crystallizes in the hexagonal P6_3/mmc space group. The structure is three-dimensional. Sm is bonded to eight equivalent Sm and four equivalent Cd atoms to form distorted SmSm8Cd4 cuboctahedra that share corners with four equivalent CdSm12 cuboctahedra, corners with fourteen equivalent SmSm8Cd4 cuboctahedra, edges with six equivalent CdSm12 cuboctahedra, edges with twelve equivalent SmSm8Cd4 cuboctahedra, faces with four equivalent CdSm12 cuboctahedra, and faces with sixteen equivalent SmSm8Cd4 cuboctahedra. There are a spread of Sm–Sm bond distances ranging from 3.40–3.69 Å. There are two shorter (3.40 Å) and two longer (3.55 Å) Sm–Cd bond lengths. Cd is bonded to twelve equivalent Sm atoms to form CdSm12 cuboctahedra that share corners with six equivalent CdSm12 cuboctahedra, corners with twelve equivalent SmSm8Cd4 cuboctahedra, edges with eighteen equivalent SmSm8Cd4 cuboctahedra, faces with eight equivalent CdSm12 cuboctahedra, and faces with twelve equivalent SmSm8Cd4 cuboctahedra.
DOI: 10.17188/1316125
title: Materials Data on Sr2LiTaN3F by Materials Project

description: LiSr2TaN3F crystallizes in the orthorhombic Pbca space group. The structure is three-dimensional. Li1+ is bonded to two N3- and two equivalent F1- atoms to form distorted LiN2F2 tetrahedra that share corners with two equivalent LiN2F2 tetrahedra and corners with three equivalent TaN4 tetrahedra. There are one shorter (2.08 Å) and one longer (2.15 Å) Li–N bond lengths. There is one shorter (1.92 Å) and one longer (1.97 Å) Li–F bond length. There are two inequivalent Sr2+ sites. In the first Sr2+ site, Sr2+ is bonded in a 8-coordinate geometry to six N3- and two equivalent F1- atoms. There are a spread of Sr–N bond distances ranging from 2.70–3.02 Å. There are one shorter (2.88 Å) and one longer (2.90 Å) Sr–F bond lengths. In the second Sr2+ site, Sr2+ is bonded in a 7-coordinate geometry to four N3- and two equivalent F1- atoms. There are a spread of Sr–N bond distances ranging from 2.61–2.71 Å. There are one shorter (2.56 Å) and one longer (2.62 Å) Sr–F bond lengths. Ta5+ is bonded to four N3- atoms to form TaN4 tetrahedra that share corners with two equivalent TaN4 tetrahedra and corners with three equivalent LiN2F2 tetrahedra. There are a spread of Ta–N bond distances ranging from 1.93–2.02 Å. There are three inequivalent N3- sites. In the first N3- site, N3- is bonded to five Sr2+ and one Ta5+ atom to form a mixture of distorted edge and corner-sharing NSr5Ta octahedra. The corner-sharing octahedra tilt angles range from 21–24°. In the second N3- site, N3- is bonded in a 2-coordinate geometry to one Li1+, three Sr2+, and one Ta5+ atom. In the third N3- site, N3- is bonded in a 5-coordinate geometry to one Li1+, two Sr2+, and two equivalent Ta5+ atoms. F1- is bonded in a 2-coordinate geometry to two equivalent Li1+ and four Sr2+ atoms.
DOI: 10.17188/1316126
title: Materials Data on Sm3Dy by Materials Project

description: DySm3 is Magnesium-derived structured and crystallizes in the hexagonal P6_3/mmc space group. The structure is three-dimensional. Dy is bonded to twelve equivalent Sm atoms to form DySm12 cuboctahedra that share corners with six equivalent DySm12 cuboctahedra, corners with twelve equivalent SmSm8Dy4 cuboctahedra, edges with eighteen equivalent SmSm8Dy4 cuboctahedra, faces with eight equivalent DySm12 cuboctahedra, and faces with twelve equivalent SmSm8Dy4 cuboctahedra. There are six shorter (3.59 Å) and six longer (3.65 Å) Dy–Sm bond lengths. Sm is bonded to four equivalent Dy and eight equivalent Sm atoms to form SmSm8Dy4 cuboctahedra that share corners with four equivalent DySm12 cuboctahedra, corners with fourteen equivalent SmSm8Dy4 cuboctahedra, edges with six equivalent DySm12 cuboctahedra, edges with twelve equivalent SmSm8Dy4 cuboctahedra, faces with four equivalent DySm12 cuboctahedra, and faces with sixteen equivalent SmSm8Dy4 cuboctahedra. There are four shorter (3.59 Å) and four longer (3.65 Å) Sm–Sm bond lengths.
DOI: 10.17188/1316127
title: Materials Data on Th3B by Materials Project

description: Th3B is Uranium Silicide structured and crystallizes in the cubic Pm-3m space group. The structure is three-dimensional. Th is bonded to eight equivalent Th and four equivalent B atoms to form distorted ThTh8B4 cuboctahedra that share corners with twelve equivalent ThTh8B4 cuboctahedra, edges with eight equivalent BTh12 cuboctahedra, edges with sixteen equivalent ThTh8B4 cuboctahedra, faces with four equivalent BTh12 cuboctahedra, and faces with fourteen equivalent ThTh8B4 cuboctahedra. All Th–Th bond lengths are 3.30 Å. All Th–B bond lengths are 3.30 Å. B is bonded to twelve equivalent Th atoms to form BTh12 cuboctahedra that share corners with twelve equivalent BTh12 cuboctahedra, edges with twenty-four equivalent ThTh8B4 cuboctahedra, faces with six equivalent BTh12 cuboctahedra, and faces with twelve equivalent ThTh8B4 cuboctahedra.
DOI: 10.17188/1316128
title: Materials Data on W3C by Materials Project

description: CW3 is Uranium Silicide-like structured and crystallizes in the tetragonal I4/mmm space group. The structure is three-dimensional. there are two inequivalent W sites. In the first W site, W is bonded to eight W and four equivalent C atoms to form distorted WW8C4 cuboctahedra that share corners with twelve equivalent WW8C4 cuboctahedra, edges with eight equivalent WW8C4 cuboctahedra, edges with eight equivalent CW12 cuboctahedra, faces with four equivalent CW12 cuboctahedra, and faces with ten equivalent WW8C4 cuboctahedra. There are four shorter (2.50 Å) and four longer (2.87 Å) W–W bond lengths. All W–C bond lengths are 2.87 Å. In the second W site, W is bonded in a square co-planar geometry to eight equivalent W and four equivalent C atoms. All W–C bond lengths are 2.50 Å. C is bonded to twelve W atoms to form distorted CW12 cuboctahedra that share corners with four equivalent CW12 cuboctahedra, edges with eight equivalent CW12 cuboctahedra, edges with sixteen equivalent WW8C4 cuboctahedra, faces with four equivalent CW12 cuboctahedra, and faces with eight equivalent WW8C4 cuboctahedra.
DOI: 10.17188/1316129
title: Materials Data on WSCl4 by Materials Project

description: WSCl4 crystallizes in the triclinic P-1 space group. The structure is zero-dimensional and consists of two WSCl4 clusters. W6+ is bonded in a distorted trigonal bipyramidal geometry to one S2- and four Cl1- atoms. The W–S bond length is 2.10 Å. There are a spread of W–Cl bond distances ranging from 2.30–2.32 Å. S2- is bonded in a distorted single-bond geometry to one W6+ atom. There are four inequivalent Cl1- sites. In the first Cl1- site, Cl1- is bonded in a single-bond geometry to one W6+ atom. In the second Cl1- site, Cl1- is bonded in a single-bond geometry to one W6+ atom. In the third Cl1- site, Cl1- is bonded in a single-bond geometry to one W6+ atom. In the fourth Cl1- site, Cl1- is bonded in a single-bond geometry to one W6+ atom.
DOI: 10.17188/1316130
title: Materials Data on Ta2Be2O5 by Materials Project

description: Be2Ta2O5 crystallizes in the tetragonal P4/mmm space group. The structure is three-dimensional. Be2+ is bonded to five O2- atoms to form distorted BeO5 square pyramids that share corners with five equivalent BeO5 square pyramids and faces with four equivalent TaO12 cuboctahedra. There is one shorter (1.58 Å) and four longer (1.80 Å) Be–O bond length. There are two inequivalent Ta3+ sites. In the first Ta3+ site, Ta3+ is bonded in a body-centered cubic geometry to eight equivalent O2- atoms. All Ta–O bond lengths are 2.19 Å. In the second Ta3+ site, Ta3+ is bonded to twelve O2- atoms to form TaO12 cuboctahedra that share corners with four equivalent TaO12 cuboctahedra, faces with four equivalent TaO12 cuboctahedra, and faces with eight equivalent BeO5 square pyramids. There are four shorter (2.50 Å) and eight longer (2.61 Å) Ta–O bond lengths. There are two inequivalent O2- sites. In the first O2- site, O2- is bonded in a 2-coordinate geometry to two equivalent Be2+ and four Ta3+ atoms. In the second O2- site, O2- is bonded in a linear geometry to two equivalent Be2+ and four equivalent Ta3+ atoms.
DOI: 10.17188/1316131
title: Materials Data on DyYCd2 by Materials Project

description: DyYCd2 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 Cd atoms. All Dy–Cd bond lengths are 3.25 Å. Y is bonded in a body-centered cubic geometry to eight equivalent Cd atoms. All Y–Cd bond lengths are 3.25 Å. Cd is bonded in a body-centered cubic geometry to four equivalent Dy and four equivalent Y atoms.
DOI: 10.17188/1316132
title: Materials Data on Sm2(ReB2)3 by Materials Project

description: Sm2(ReB2)3 crystallizes in the monoclinic C2/c space group. The structure is three-dimensional. Sm3+ is bonded in a 10-coordinate geometry to ten B3- atoms. There are a spread of Sm–B bond distances ranging from 2.73–3.18 Å. There are two inequivalent Re4+ sites. In the first Re4+ site, Re4+ is bonded in a 6-coordinate geometry to six B3- atoms. There are a spread of Re–B bond distances ranging from 2.13–2.30 Å. In the second Re4+ site, Re4+ is bonded in a 8-coordinate geometry to eight B3- atoms. There are a spread of Re–B bond distances ranging from 2.25–2.38 Å. There are three inequivalent B3- sites. In the first B3- site, B3- is bonded in a 8-coordinate geometry to three equivalent Sm3+, four Re4+, and one B3- atom. The B–B bond length is 1.82 Å. In the second B3- site, B3- is bonded in a 9-coordinate geometry to four equivalent Sm3+, three Re4+, and two B3- atoms. There is one shorter (1.82 Å) and one longer (1.88 Å) B–B bond length. In the third B3- site, B3- is bonded in a 9-coordinate geometry to three equivalent Sm3+, three Re4+, and three B3- atoms. The B–B bond length is 1.80 Å.
DOI: 10.17188/1316133
title: Materials Data on Dy3Y by Materials Project

description: 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.
DOI: 10.17188/1316134
title: Materials Data on YErIr2 by Materials Project

description: ErYIr2 is Heusler structured and crystallizes in the cubic Fm-3m space group. The structure is three-dimensional. Er is bonded in a body-centered cubic geometry to eight equivalent Ir atoms. All Er–Ir bond lengths are 2.96 Å. Y is bonded in a body-centered cubic geometry to eight equivalent Ir atoms. All Y–Ir bond lengths are 2.96 Å. Ir is bonded in a body-centered cubic geometry to four equivalent Er and four equivalent Y atoms.
DOI: 10.17188/1316135
title: Materials Data on YErZn2 by Materials Project

description: ErYZn2 is Heusler structured and crystallizes in the cubic Fm-3m space group. The structure is three-dimensional. Er is bonded in a body-centered cubic geometry to eight equivalent Zn atoms. All Er–Zn bond lengths are 3.09 Å. Y is bonded in a body-centered cubic geometry to eight equivalent Zn atoms. All Y–Zn bond lengths are 3.09 Å. Zn is bonded in a body-centered cubic geometry to four equivalent Er and four equivalent Y atoms.