cometadata/datacite-titles-descriptions-related-identifiers huggingface dataset:
DOI: 10.17188/1655678
title: Materials Data on Na3NdCl6 by Materials Project

description: (Na)2NaNdCl6 is High-temperature superconductor-derived structured and crystallizes in the cubic Fm-3m space group. The structure is three-dimensional and consists of eight sodium molecules and one NaNdCl6 framework. In the NaNdCl6 framework, Na1+ is bonded to six equivalent Cl1- atoms to form NaCl6 octahedra that share corners with six equivalent NdCl6 octahedra. The corner-sharing octahedral tilt angles are 0°. All Na–Cl bond lengths are 2.71 Å. Nd3+ is bonded to six equivalent Cl1- atoms to form NdCl6 octahedra that share corners with six equivalent NaCl6 octahedra. The corner-sharing octahedral tilt angles are 0°. All Nd–Cl bond lengths are 2.71 Å. Cl1- is bonded in a linear geometry to one Na1+ and one Nd3+ atom.
DOI: 10.17188/1655679
title: Materials Data on Tb6RhBr10 by Materials Project

description: Tb6RhBr10 crystallizes in the triclinic P-1 space group. The structure is three-dimensional. there are three inequivalent Tb sites. In the first Tb site, Tb is bonded to one Rh and five Br atoms to form a mixture of edge and corner-sharing TbRhBr5 octahedra. The corner-sharing octahedra tilt angles range from 0–4°. The Tb–Rh bond length is 2.74 Å. There are a spread of Tb–Br bond distances ranging from 2.82–3.08 Å. In the second Tb site, Tb is bonded to one Rh and five Br atoms to form a mixture of edge and corner-sharing TbRhBr5 octahedra. The corner-sharing octahedra tilt angles range from 0–3°. The Tb–Rh bond length is 2.71 Å. There are a spread of Tb–Br bond distances ranging from 2.85–3.10 Å. In the third Tb site, Tb is bonded to one Rh and five Br atoms to form a mixture of edge and corner-sharing TbRhBr5 octahedra. The corner-sharing octahedra tilt angles range from 0–4°. The Tb–Rh bond length is 2.68 Å. There are a spread of Tb–Br bond distances ranging from 2.91–3.11 Å. Rh is bonded in an octahedral geometry to six Tb atoms. There are five inequivalent Br sites. In the first Br site, Br is bonded in an L-shaped geometry to two Tb atoms. In the second Br site, Br is bonded in a see-saw-like geometry to four Tb atoms. In the third Br site, Br is bonded in a 3-coordinate geometry to three Tb atoms. In the fourth Br site, Br is bonded in a T-shaped geometry to three Tb atoms. In the fifth Br site, Br is bonded in a T-shaped geometry to three Tb atoms.
DOI: 10.17188/1655680
title: Materials Data on ScAgAu2 by Materials Project

description: ScAu2Ag crystallizes in the orthorhombic Immm space group. The structure is one-dimensional and consists of two ScAu2Ag ribbons oriented in the (1, 0, 0) direction. Sc is bonded in a linear geometry to two equivalent Au atoms. Both Sc–Au bond lengths are 2.55 Å. Au is bonded in a linear geometry to one Sc and one Ag atom. The Au–Ag bond length is 2.70 Å. Ag is bonded in a linear geometry to two equivalent Au atoms.
DOI: 10.17188/1655681
title: Materials Data on Ca8Zn3Co(Si2O7)4 by Materials Project

description: Ca8CoZn3(Si2O7)4 crystallizes in the tetragonal P-4 space group. The structure is three-dimensional. there are two inequivalent Ca2+ sites. In the first Ca2+ site, Ca2+ is bonded in a 8-coordinate geometry to eight O2- atoms. There are a spread of Ca–O bond distances ranging from 2.41–2.74 Å. In the second Ca2+ site, Ca2+ is bonded in a 8-coordinate geometry to eight O2- atoms. There are a spread of Ca–O bond distances ranging from 2.41–2.73 Å. Co2+ is bonded to four equivalent O2- atoms to form CoO4 tetrahedra that share corners with four equivalent SiO4 tetrahedra. All Co–O bond lengths are 1.96 Å. 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 SiO4 tetrahedra. All Zn–O bond lengths are 1.95 Å. In the second Zn2+ site, Zn2+ is bonded to four equivalent O2- atoms to form ZnO4 tetrahedra that share corners with four equivalent SiO4 tetrahedra. All Zn–O bond lengths are 1.95 Å. There are two inequivalent Si4+ sites. In the first Si4+ site, Si4+ is bonded to four O2- atoms to form SiO4 tetrahedra that share a cornercorner with one SiO4 tetrahedra and corners with two ZnO4 tetrahedra. There are a spread of Si–O bond distances ranging from 1.61–1.68 Å. In the second Si4+ site, Si4+ is bonded to four O2- atoms to form SiO4 tetrahedra that share a cornercorner with one CoO4 tetrahedra, a cornercorner with one ZnO4 tetrahedra, and a cornercorner with one SiO4 tetrahedra. There are a spread of Si–O bond distances ranging from 1.61–1.68 Å. There are six inequivalent O2- sites. In the first O2- site, O2- is bonded in a 1-coordinate geometry to three Ca2+ and one Si4+ atom. In the second O2- site, O2- is bonded in a 1-coordinate geometry to three Ca2+ and one Si4+ atom. In the third O2- site, O2- is bonded in a 4-coordinate geometry to two Ca2+ and two Si4+ atoms. In the fourth O2- site, O2- is bonded in a 4-coordinate geometry to two Ca2+, one Zn2+, and one Si4+ atom. In the fifth O2- site, O2- is bonded in a 4-coordinate geometry to two Ca2+, one Zn2+, and one Si4+ atom. In the sixth O2- site, O2- is bonded in a 4-coordinate geometry to two equivalent Ca2+, one Co2+, and one Si4+ atom.
DOI: 10.17188/1655682
title: Materials Data on NaYTl2 by Materials Project

description: NaYTl2 crystallizes in the orthorhombic Immm space group. The structure is one-dimensional and consists of two NaYTl2 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 3.14 Å. Y is bonded in a linear geometry to two equivalent Tl atoms. Both Y–Tl bond lengths are 3.11 Å. Tl is bonded in a linear geometry to one Na and one Y atom.
DOI: 10.17188/1655684
title: Materials Data on CeH(CO2)3 by Materials Project

description: CeH(CO2)3 crystallizes in the orthorhombic Pna2_1 space group. The structure is three-dimensional. Ce3+ is bonded in a 9-coordinate geometry to nine O2- atoms. There are a spread of Ce–O bond distances ranging from 2.49–2.63 Å. There are three inequivalent C+2.67+ sites. In the first C+2.67+ site, C+2.67+ is bonded in a trigonal planar geometry to one H1+ and two O2- atoms. The C–H bond length is 1.10 Å. There is one shorter (1.26 Å) and one longer (1.29 Å) C–O bond length. In the second C+2.67+ site, C+2.67+ is bonded in a bent 120 degrees geometry to two O2- atoms. There is one shorter (1.26 Å) and one longer (1.28 Å) C–O bond length. In the third C+2.67+ site, C+2.67+ is bonded in a bent 120 degrees geometry to two O2- atoms. There is one shorter (1.26 Å) and one longer (1.28 Å) C–O bond length. H1+ is bonded in a single-bond geometry to one C+2.67+ atom. There are six inequivalent O2- sites. In the first O2- site, O2- is bonded in a distorted single-bond geometry to one Ce3+ and one C+2.67+ atom. In the second O2- site, O2- is bonded in a distorted single-bond geometry to one Ce3+ and one C+2.67+ atom. In the third O2- site, O2- is bonded in a distorted single-bond geometry to one Ce3+ and one C+2.67+ atom. In the fourth O2- site, O2- is bonded in a distorted single-bond geometry to two equivalent Ce3+ and one C+2.67+ atom. In the fifth O2- site, O2- is bonded in a distorted single-bond geometry to two equivalent Ce3+ and one C+2.67+ atom. In the sixth O2- site, O2- is bonded in a distorted single-bond geometry to two equivalent Ce3+ and one C+2.67+ atom.
DOI: 10.17188/1655685
title: Materials Data on K2Si3SnO10 by Materials Project

description: K2SnSi3O10 crystallizes in the orthorhombic P2_12_12_1 space group. The structure is three-dimensional. there are two inequivalent K sites. In the first K site, K is bonded in a 6-coordinate geometry to six O atoms. There are a spread of K–O bond distances ranging from 2.75–3.25 Å. In the second K site, K is bonded in a 7-coordinate geometry to nine O atoms. There are a spread of K–O bond distances ranging from 2.75–3.35 Å. Sn is bonded to six O atoms to form SnO6 octahedra that share corners with six SiO4 tetrahedra. There are a spread of Sn–O bond distances ranging from 2.04–2.13 Å. There are three inequivalent Si sites. In the first Si site, Si is bonded to four O atoms to form SiO4 tetrahedra that share corners with two equivalent SnO6 octahedra and corners with two SiO4 tetrahedra. The corner-sharing octahedra tilt angles range from 48–50°. There is two shorter (1.62 Å) and two longer (1.65 Å) Si–O bond length. In the second Si site, Si is bonded to four O atoms to form SiO4 tetrahedra that share corners with two equivalent SnO6 octahedra and corners with two SiO4 tetrahedra. The corner-sharing octahedra tilt angles range from 42–58°. There are a spread of Si–O bond distances ranging from 1.61–1.66 Å. In the third Si site, Si is bonded to four O atoms to form SiO4 tetrahedra that share corners with two equivalent SnO6 octahedra and corners with two SiO4 tetrahedra. The corner-sharing octahedra tilt angles range from 45–47°. There are a spread of Si–O bond distances ranging from 1.62–1.67 Å. There are ten inequivalent O sites. In the first O site, O is bonded in a 2-coordinate geometry to two K, one Sn, and one Si atom. In the second O site, O is bonded in a 4-coordinate geometry to two K, one Sn, and one Si atom. In the third O site, O is bonded in a 3-coordinate geometry to one K, one Sn, and one Si atom. In the fourth O site, O is bonded in a 4-coordinate geometry to two K, one Sn, and one Si atom. In the fifth O site, O is bonded in an L-shaped geometry to two K atoms. In the sixth O site, O is bonded in a distorted bent 120 degrees geometry to one K and two Si atoms. In the seventh O site, O is bonded in a distorted bent 120 degrees geometry to one K and two Si atoms. In the eighth O site, O is bonded in a distorted bent 120 degrees geometry to one K, one Sn, and one Si atom. In the ninth O site, O is bonded in a distorted bent 120 degrees geometry to two equivalent K and two Si atoms. In the tenth O site, O is bonded in a 3-coordinate geometry to one K, one Sn, and one Si atom.
DOI: 10.17188/1655686
title: Materials Data on Ru(C2N3)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: 10.17188/1655687
title: Materials Data on GaCo4Ge3 by Materials Project

description: Co4GaGe3 crystallizes in the trigonal R3 space group. The structure is three-dimensional. there are two inequivalent Co sites. In the first Co site, Co is bonded in a 7-coordinate geometry to one Ga and six equivalent Ge atoms. The Co–Ga bond length is 2.44 Å. There are three shorter (2.39 Å) and three longer (2.61 Å) Co–Ge bond lengths. In the second Co site, Co is bonded in a 7-coordinate geometry to two equivalent Ga and five equivalent Ge atoms. There are one shorter (2.44 Å) and one longer (2.59 Å) Co–Ga bond lengths. There are a spread of Co–Ge bond distances ranging from 2.37–2.62 Å. Ga is bonded in a 7-coordinate geometry to seven Co and six equivalent Ge atoms. All Ga–Ge bond lengths are 2.86 Å. Ge is bonded in a 9-coordinate geometry to seven Co and two equivalent Ga atoms.
DOI: 10.17188/1655688
title: Materials Data on Mg4Si3 by Materials Project

description: Mg4Si3 crystallizes in the triclinic P1 space group. The structure is three-dimensional. there are eight inequivalent Mg sites. In the first Mg site, Mg is bonded in a 5-coordinate geometry to five Si atoms. There are a spread of Mg–Si bond distances ranging from 2.74–3.06 Å. In the second Mg site, Mg is bonded in a 6-coordinate geometry to six Si atoms. There are a spread of Mg–Si bond distances ranging from 2.77–2.82 Å. In the third Mg site, Mg is bonded in a 6-coordinate geometry to six Si atoms. There are a spread of Mg–Si bond distances ranging from 2.75–2.94 Å. In the fourth Mg site, Mg is bonded in a 6-coordinate geometry to six Si atoms. There are a spread of Mg–Si bond distances ranging from 2.78–2.83 Å. In the fifth Mg site, Mg is bonded in a 5-coordinate geometry to five Si atoms. There are a spread of Mg–Si bond distances ranging from 2.73–3.07 Å. In the sixth Mg site, Mg is bonded in a 5-coordinate geometry to five Si atoms. There are a spread of Mg–Si bond distances ranging from 2.73–3.06 Å. In the seventh Mg site, Mg is bonded in a 5-coordinate geometry to five Si atoms. There are a spread of Mg–Si bond distances ranging from 2.73–3.06 Å. In the eighth Mg site, Mg is bonded in a 6-coordinate geometry to six Si atoms. There are a spread of Mg–Si bond distances ranging from 2.74–2.93 Å. There are six inequivalent Si sites. In the first Si site, Si is bonded in a 9-coordinate geometry to eight Mg and one Si atom. The Si–Si bond length is 2.78 Å. In the second Si site, Si is bonded in a 9-coordinate geometry to eight Mg and one Si atom. The Si–Si bond length is 2.76 Å. In the third Si site, Si is bonded in a 9-coordinate geometry to six Mg and three Si atoms. There are one shorter (2.48 Å) and one longer (2.80 Å) Si–Si bond lengths. In the fourth Si site, Si is bonded in a 9-coordinate geometry to eight Mg and one Si atom. In the fifth Si site, Si is bonded in a 9-coordinate geometry to eight Mg and one Si atom. The Si–Si bond length is 2.74 Å. In the sixth Si site, Si is bonded in a 9-coordinate geometry to six Mg and three Si atoms.
DOI: 10.17188/1655689
title: Materials Data on Tm(BRh)4 by Materials Project

description: TmRh4B4 crystallizes in the tetragonal P4_2/nmc space group. The structure is three-dimensional. Tm is bonded in a 12-coordinate geometry to twelve equivalent Rh and twelve equivalent B atoms. There are four shorter (2.95 Å) and eight longer (3.17 Å) Tm–Rh bond lengths. There are eight shorter (3.02 Å) and four longer (3.16 Å) Tm–B bond lengths. Rh is bonded in a 5-coordinate geometry to three equivalent Tm and five equivalent B atoms. There are two shorter (2.21 Å) and three longer (2.23 Å) Rh–B bond lengths. B is bonded in a 6-coordinate geometry to three equivalent Tm, five equivalent Rh, and one B atom. The B–B bond length is 1.79 Å.
DOI: 10.17188/1655690
title: Materials Data on Li3MnV3O8 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: 10.17188/1655691
title: Materials Data on Fe2Se2O7 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: 10.17188/1655692
title: Materials Data on V2Cu3O8 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: 10.17188/1655694
title: Materials Data on BaZnSb2 by Materials Project

description: BaZnSb2 crystallizes in the tetragonal I4/mmm space group. The structure is three-dimensional. there are four inequivalent Ba2+ sites. In the first Ba2+ site, Ba2+ is bonded in a 8-coordinate geometry to eight Sb2- atoms. There are four shorter (3.58 Å) and four longer (3.63 Å) Ba–Sb bond lengths. In the second Ba2+ site, Ba2+ is bonded in a 8-coordinate geometry to eight Sb2- atoms. There are four shorter (3.58 Å) and four longer (3.63 Å) Ba–Sb bond lengths. In the third Ba2+ site, Ba2+ is bonded in a 8-coordinate geometry to eight Sb2- atoms. There are four shorter (3.58 Å) and four longer (3.63 Å) Ba–Sb bond lengths. In the fourth Ba2+ site, Ba2+ is bonded in a 8-coordinate geometry to eight Sb2- atoms. There are four shorter (3.58 Å) and four longer (3.63 Å) Ba–Sb bond lengths. Zn2+ is bonded to four Sb2- atoms to form a mixture of corner and edge-sharing ZnSb4 tetrahedra. All Zn–Sb bond lengths are 2.80 Å. There are eight inequivalent Sb2- sites. In the first Sb2- site, Sb2- is bonded in a 8-coordinate geometry to four equivalent Ba2+ and four equivalent Zn2+ atoms. In the second Sb2- site, Sb2- is bonded in a 8-coordinate geometry to four equivalent Ba2+ and four equivalent Zn2+ atoms. In the third Sb2- site, Sb2- is bonded in a distorted body-centered cubic geometry to four Ba2+ and four equivalent Sb2- atoms. All Sb–Sb bond lengths are 3.20 Å. In the fourth Sb2- site, Sb2- is bonded in a distorted body-centered cubic geometry to four Ba2+ and four equivalent Sb2- atoms. In the fifth Sb2- site, Sb2- is bonded in a 8-coordinate geometry to four equivalent Ba2+ and four equivalent Zn2+ atoms. All Sb–Zn bond lengths are 2.80 Å. In the sixth Sb2- site, Sb2- is bonded in a 8-coordinate geometry to four equivalent Ba2+ and four equivalent Zn2+ atoms. All Sb–Zn bond lengths are 2.80 Å. In the seventh Sb2- site, Sb2- is bonded in a distorted body-centered cubic geometry to four Ba2+ and four equivalent Sb2- atoms. All Sb–Sb bond lengths are 3.20 Å. In the eighth Sb2- site, Sb2- is bonded in a distorted body-centered cubic geometry to four Ba2+ and four equivalent Sb2- atoms.
DOI: 10.17188/1655695
title: Materials Data on CrOF 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: 10.17188/1655696
title: Materials Data on SO5 by Materials Project

description: SO5 crystallizes in the monoclinic P2_1/c space group. The structure is zero-dimensional and consists of four hydrogen peroxide molecules and four sulfur trioxide molecules.
DOI: 10.17188/1655697
title: Materials Data on Cs2VCl5O4 by Materials Project

description: Cs2VO4Cl5 crystallizes in the monoclinic C2/m space group. The structure is three-dimensional. Cs is bonded in a 8-coordinate geometry to eight Cl atoms. There are a spread of Cs–Cl bond distances ranging from 3.34–3.67 Å. V is bonded in an octahedral geometry to four equivalent O and two equivalent Cl atoms. All V–O bond lengths are 1.84 Å. Both V–Cl bond lengths are 2.36 Å. O is bonded in a single-bond geometry to one V atom. There are three inequivalent Cl sites. In the first Cl site, Cl is bonded in a distorted single-bond geometry to three equivalent Cs and one V atom. In the second Cl site, Cl is bonded in a see-saw-like geometry to four equivalent Cs atoms. In the third Cl site, Cl is bonded in a linear geometry to two equivalent Cs atoms.
DOI: 10.17188/1655698
title: Materials Data on HfAlFe by Materials Project

description: Hf(Fe0.5Al0.5)2 crystallizes in the orthorhombic Amm2 space group. The structure is three-dimensional. there are two inequivalent Hf sites. In the first Hf site, Hf is bonded in a 12-coordinate geometry to four Hf, seven Fe, and five Al atoms. There are a spread of Hf–Hf bond distances ranging from 3.01–3.10 Å. There are a spread of Hf–Fe bond distances ranging from 2.95–3.00 Å. There are two shorter (2.95 Å) and three longer (3.02 Å) Hf–Al bond lengths. In the second Hf site, Hf is bonded in a 12-coordinate geometry to three equivalent Hf, five Fe, and seven Al atoms. There are a spread of Hf–Fe bond distances ranging from 2.84–3.04 Å. There are a spread of Hf–Al bond distances ranging from 2.87–3.09 Å. There are two inequivalent Fe sites. In the first Fe site, Fe is bonded to six Hf, two equivalent Fe, and four Al atoms to form FeHf6Al4Fe2 cuboctahedra that share corners with four equivalent FeHf6Al2Fe4 cuboctahedra, corners with eight AlHf6Fe6 cuboctahedra, edges with six equivalent FeHf6Al4Fe2 cuboctahedra, faces with eight FeHf6Al4Fe2 cuboctahedra, and faces with twelve AlHf6Fe6 cuboctahedra. Both Fe–Fe bond lengths are 2.50 Å. There are a spread of Fe–Al bond distances ranging from 2.53–2.57 Å. In the second Fe site, Fe is bonded to six Hf, four Fe, and two equivalent Al atoms to form FeHf6Al2Fe4 cuboctahedra that share corners with eight FeHf6Al4Fe2 cuboctahedra, corners with ten AlHf6Al4Fe2 cuboctahedra, edges with two equivalent FeHf6Al2Fe4 cuboctahedra, edges with four equivalent AlHf6Al4Fe2 cuboctahedra, faces with eight AlHf6Fe6 cuboctahedra, and faces with ten FeHf6Al4Fe2 cuboctahedra. There are one shorter (2.54 Å) and one longer (2.55 Å) Fe–Fe bond lengths. There are one shorter (2.54 Å) and one longer (2.56 Å) Fe–Al bond lengths. There are three inequivalent Al sites. In the first Al site, Al is bonded to six Hf and six Fe atoms to form AlHf6Fe6 cuboctahedra that share corners with four equivalent FeHf6Al4Fe2 cuboctahedra, corners with fourteen AlHf6Fe6 cuboctahedra, edges with six AlHf6Fe6 cuboctahedra, faces with four equivalent AlHf6Al4Fe2 cuboctahedra, and faces with fourteen FeHf6Al4Fe2 cuboctahedra. In the second Al site, Al is bonded to six Hf, two equivalent Fe, and four Al atoms to form AlHf6Al4Fe2 cuboctahedra that share corners with eight AlHf6Fe6 cuboctahedra, corners with ten FeHf6Al4Fe2 cuboctahedra, edges with two equivalent AlHf6Al4Fe2 cuboctahedra, edges with four equivalent FeHf6Al2Fe4 cuboctahedra, faces with eight FeHf6Al4Fe2 cuboctahedra, and faces with ten AlHf6Fe6 cuboctahedra. There are a spread of Al–Al bond distances ranging from 2.53–2.57 Å. In the third Al site, Al is bonded to six Hf, two equivalent Fe, and four equivalent Al atoms to form AlHf6Al4Fe2 cuboctahedra that share corners with six AlHf6Fe6 cuboctahedra, corners with twelve FeHf6Al4Fe2 cuboctahedra, edges with six AlHf6Fe6 cuboctahedra, faces with eight equivalent AlHf6Al4Fe2 cuboctahedra, and faces with ten FeHf6Al4Fe2 cuboctahedra.
DOI: 10.17188/1655700
title: Materials Data on Ho3Ga by Materials Project

description: Ho3Ga is Uranium Silicide structured and crystallizes in the cubic Pm-3m space group. The structure is three-dimensional. Ho is bonded to eight equivalent Ho and four equivalent Ga atoms to form distorted HoHo8Ga4 cuboctahedra that share corners with twelve equivalent HoHo8Ga4 cuboctahedra, edges with eight equivalent GaHo12 cuboctahedra, edges with sixteen equivalent HoHo8Ga4 cuboctahedra, faces with four equivalent GaHo12 cuboctahedra, and faces with fourteen equivalent HoHo8Ga4 cuboctahedra. All Ho–Ho bond lengths are 3.32 Å. All Ho–Ga bond lengths are 3.32 Å. Ga is bonded to twelve equivalent Ho atoms to form GaHo12 cuboctahedra that share corners with twelve equivalent GaHo12 cuboctahedra, edges with twenty-four equivalent HoHo8Ga4 cuboctahedra, faces with six equivalent GaHo12 cuboctahedra, and faces with twelve equivalent HoHo8Ga4 cuboctahedra.