cometadata/datacite-titles-descriptions-related-identifiers huggingface dataset:
DOI: 10.17188/1656096
title: Materials Data on TaSiGe by Materials Project

description: TaGeSi is Titanium Disilicide-derived structured and crystallizes in the trigonal P3_212 space group. The structure is three-dimensional. Ta is bonded in a 10-coordinate geometry to five equivalent Ge and five equivalent Si atoms. There are a spread of Ta–Ge bond distances ranging from 2.66–2.89 Å. There are a spread of Ta–Si bond distances ranging from 2.65–2.86 Å. Ge is bonded in a 10-coordinate geometry to five equivalent Ta and five equivalent Si atoms. There are a spread of Ge–Si bond distances ranging from 2.62–2.88 Å. Si is bonded in a 10-coordinate geometry to five equivalent Ta and five equivalent Ge atoms.
DOI: 10.17188/1656097
title: Materials Data on PuUN2 by Materials Project

description: PuUN2 is Caswellsilverite-like structured and crystallizes in the tetragonal P4/mmm space group. The structure is three-dimensional. Pu3+ is bonded to six N3- atoms to form PuN6 octahedra that share corners with six equivalent PuN6 octahedra, edges with four equivalent PuN6 octahedra, and edges with eight equivalent UN6 octahedra. The corner-sharing octahedral tilt angles are 0°. There are four shorter (2.43 Å) and two longer (2.45 Å) Pu–N bond lengths. U3+ is bonded to six N3- atoms to form UN6 octahedra that share corners with six equivalent UN6 octahedra, edges with four equivalent UN6 octahedra, and edges with eight equivalent PuN6 octahedra. The corner-sharing octahedral tilt angles are 0°. There are four shorter (2.43 Å) and two longer (2.45 Å) U–N bond lengths. There are two inequivalent N3- sites. In the first N3- site, N3- is bonded to two equivalent Pu3+ and four equivalent U3+ atoms to form a mixture of corner and edge-sharing NPu2U4 octahedra. The corner-sharing octahedral tilt angles are 0°. In the second N3- site, N3- is bonded to four equivalent Pu3+ and two equivalent U3+ atoms to form NPu4U2 octahedra that share corners with six equivalent NPu4U2 octahedra and edges with twelve NPu2U4 octahedra. The corner-sharing octahedral tilt angles are 0°.
DOI: 10.17188/1656098
title: Materials Data on FeCoS4 by Materials Project

description: FeCoS4 is pyrite-derived structured and crystallizes in the monoclinic P2_1/c space group. The structure is three-dimensional. Fe3+ is bonded to six S+1.75- atoms to form FeS6 octahedra that share corners with four equivalent FeS6 octahedra and corners with eight equivalent CoS6 octahedra. The corner-sharing octahedra tilt angles range from 63–65°. There are a spread of Fe–S bond distances ranging from 2.25–2.27 Å. Co4+ is bonded to six S+1.75- atoms to form CoS6 octahedra that share corners with four equivalent CoS6 octahedra and corners with eight equivalent FeS6 octahedra. The corner-sharing octahedra tilt angles range from 64–66°. There are two shorter (2.29 Å) and four longer (2.30 Å) Co–S bond lengths. There are two inequivalent S+1.75- sites. In the first S+1.75- site, S+1.75- is bonded in a 4-coordinate geometry to two equivalent Fe3+ and one Co4+ atom. In the second S+1.75- site, S+1.75- is bonded in a 4-coordinate geometry to one Fe3+, two equivalent Co4+, and one S+1.75- atom. The S–S bond length is 2.16 Å.
DOI: 10.17188/1656099
title: Materials Data on UBi4(AsO8)2 by Materials Project

description: UBi4(AsO8)2 crystallizes in the orthorhombic Pbcm space group. The structure is three-dimensional. U6+ is bonded to six O2- atoms to form UO6 octahedra that share corners with four equivalent AsO4 tetrahedra. There are a spread of U–O bond distances ranging from 1.81–2.32 Å. There are two inequivalent Bi4+ sites. In the first Bi4+ site, Bi4+ is bonded in a 7-coordinate geometry to seven O2- atoms. There are a spread of Bi–O bond distances ranging from 2.08–2.59 Å. In the second Bi4+ site, Bi4+ is bonded in a 6-coordinate geometry to six O2- atoms. There are a spread of Bi–O bond distances ranging from 2.14–2.81 Å. As5+ is bonded to four O2- atoms to form AsO4 tetrahedra that share corners with two equivalent UO6 octahedra. The corner-sharing octahedra tilt angles range from 21–45°. There are a spread of As–O bond distances ranging from 1.69–1.77 Å. There are ten inequivalent O2- sites. In the first O2- site, O2- is bonded in a single-bond geometry to one U6+ atom. In the second O2- site, O2- is bonded in a 2-coordinate geometry to three Bi4+ atoms. In the third O2- site, O2- is bonded in a distorted trigonal planar geometry to two Bi4+ and one As5+ atom. In the fourth O2- site, O2- is bonded in a distorted bent 120 degrees geometry to four Bi4+ atoms. In the fifth O2- site, O2- is bonded in a 2-coordinate geometry to one U6+ and one As5+ atom. In the sixth O2- site, O2- is bonded in a distorted bent 150 degrees geometry to one U6+ and one As5+ atom. In the seventh O2- site, O2- is bonded in a 2-coordinate geometry to four Bi4+ atoms. In the eighth O2- site, O2- is bonded in a distorted trigonal planar geometry to two Bi4+ and one As5+ atom. In the ninth O2- site, O2- is bonded in a bent 120 degrees geometry to two Bi4+ atoms. In the tenth O2- site, O2- is bonded in a single-bond geometry to one U6+ atom.
DOI: 10.17188/1656100
title: Materials Data on K(SiAs)3 by Materials Project

description: K(SiAs)3 crystallizes in the orthorhombic Pbam space group. The structure is three-dimensional. K1+ is bonded in a 7-coordinate geometry to seven As+1.67- atoms. There are a spread of K–As bond distances ranging from 3.48–3.86 Å. There are three inequivalent Si+1.33+ sites. In the first Si+1.33+ site, Si+1.33+ is bonded in a trigonal non-coplanar geometry to three As+1.67- atoms. There are two shorter (2.41 Å) and one longer (2.43 Å) Si–As bond lengths. In the second Si+1.33+ site, Si+1.33+ is bonded in a water-like geometry to two equivalent As+1.67- atoms. Both Si–As bond lengths are 2.41 Å. In the third Si+1.33+ site, Si+1.33+ is bonded in a trigonal non-coplanar geometry to three As+1.67- atoms. There are two shorter (2.37 Å) and one longer (2.45 Å) Si–As bond lengths. There are three inequivalent As+1.67- sites. In the first As+1.67- site, As+1.67- is bonded in a 2-coordinate geometry to four equivalent K1+ and two equivalent Si+1.33+ atoms. In the second As+1.67- site, As+1.67- is bonded to two equivalent K1+ and three Si+1.33+ atoms to form distorted edge-sharing AsK2Si3 trigonal bipyramids. In the third As+1.67- site, As+1.67- is bonded in a 3-coordinate geometry to one K1+ and three Si+1.33+ atoms.
DOI: 10.17188/1656101
title: Materials Data on MoCl2O3 by Materials Project

description: MoO3Cl2 crystallizes in the orthorhombic Pnma space group. The structure is one-dimensional and consists of two MoO3Cl2 ribbons oriented in the (0, 0, 1) direction. there are two inequivalent Mo sites. In the first Mo site, Mo is bonded in a 6-coordinate geometry to four O and two equivalent Cl atoms. There are a spread of Mo–O bond distances ranging from 1.71–2.22 Å. Both Mo–Cl bond lengths are 2.34 Å. In the second Mo site, Mo is bonded in a 6-coordinate geometry to four O and two equivalent Cl atoms. There are a spread of Mo–O bond distances ranging from 1.71–2.23 Å. Both Mo–Cl bond lengths are 2.34 Å. There are six inequivalent O sites. In the first O site, O is bonded in a single-bond geometry to one Mo atom. In the second O site, O is bonded in a single-bond geometry to one Mo atom. In the third O site, O is bonded in a linear geometry to two Mo atoms. In the fourth O site, O is bonded in a linear geometry to two Mo atoms. In the fifth O site, O is bonded in a single-bond geometry to one Mo atom. In the sixth O site, O is bonded in a single-bond geometry to one Mo atom. There are two inequivalent Cl sites. In the first Cl site, Cl is bonded in a single-bond geometry to one Mo atom. In the second Cl site, Cl is bonded in a single-bond geometry to one Mo atom.
DOI: 10.17188/1656102
title: Materials Data on Ti3Mn(CuS4)2 by Materials Project

description: Cu2MnTi3S8 is Spinel-derived structured and crystallizes in the trigonal R-3m space group. The structure is three-dimensional. Ti4+ is bonded to six S2- atoms to form TiS6 octahedra that share corners with six equivalent CuS4 tetrahedra, edges with two equivalent MnS6 octahedra, and edges with four equivalent TiS6 octahedra. There are four shorter (2.44 Å) and two longer (2.46 Å) Ti–S bond lengths. Mn2+ is bonded to six equivalent S2- atoms to form MnS6 octahedra that share corners with six equivalent CuS4 tetrahedra and edges with six equivalent TiS6 octahedra. All Mn–S bond lengths are 2.44 Å. Cu1+ is bonded to four S2- atoms to form CuS4 tetrahedra that share corners with three equivalent MnS6 octahedra and corners with nine equivalent TiS6 octahedra. The corner-sharing octahedra tilt angles range from 55–58°. There are three shorter (2.26 Å) and one longer (2.28 Å) Cu–S bond lengths. There are two inequivalent S2- sites. In the first S2- site, S2- is bonded in a rectangular see-saw-like geometry to three equivalent Ti4+ and one Cu1+ atom. In the second S2- site, S2- is bonded in a distorted rectangular see-saw-like geometry to two equivalent Ti4+, one Mn2+, and one Cu1+ atom.
DOI: 10.17188/1656103
title: Materials Data on KMnIO6 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: 10.17188/1656104
title: Materials Data on TeSe2 by Materials Project

description: TeSe2 is Calaverite structured and crystallizes in the monoclinic C2 space group. The structure is two-dimensional and consists of one TeSe2 sheet oriented in the (0, 0, 1) direction. Te4+ is bonded in a 6-coordinate geometry to six equivalent Se2- atoms. There are a spread of Te–Se bond distances ranging from 2.62–3.51 Å. Se2- is bonded in a 1-coordinate geometry to three equivalent Te4+ atoms.
DOI: 10.17188/1656105
title: Materials Data on CoH7C3NO6 by Materials Project

description: CoH3(CO2)3NH4 crystallizes in the hexagonal P6_3 space group. The structure is three-dimensional and consists of six ammonium molecules and one CoH3(CO2)3 framework. In the CoH3(CO2)3 framework, Co2+ is bonded in an octahedral geometry to six O2- atoms. There are a spread of Co–O bond distances ranging from 2.11–2.15 Å. There are three inequivalent C2+ sites. In the first C2+ site, C2+ 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 (1.27 Å) and one longer (1.28 Å) C–O bond length. In the second C2+ site, C2+ 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 (1.27 Å) and one longer (1.28 Å) C–O bond length. In the third C2+ site, C2+ 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 (1.27 Å) and one longer (1.28 Å) C–O bond length. There are three inequivalent H1+ sites. In the first H1+ site, H1+ is bonded in a single-bond geometry to one C2+ atom. In the second H1+ site, H1+ is bonded in a single-bond geometry to one C2+ atom. In the third H1+ site, H1+ is bonded in a single-bond geometry to one C2+ atom. There are six inequivalent O2- sites. In the first O2- site, O2- is bonded in a bent 120 degrees geometry to one Co2+ and one C2+ atom. In the second O2- site, O2- is bonded in a distorted bent 120 degrees geometry to one Co2+ and one C2+ atom. In the third O2- site, O2- is bonded in a distorted bent 120 degrees geometry to one Co2+ and one C2+ atom. In the fourth O2- site, O2- is bonded in a bent 120 degrees geometry to one Co2+ and one C2+ atom. In the fifth O2- site, O2- is bonded in a distorted bent 120 degrees geometry to one Co2+ and one C2+ atom. In the sixth O2- site, O2- is bonded in a bent 120 degrees geometry to one Co2+ and one C2+ atom.
DOI: 10.17188/1656106
title: Materials Data on MoPCl8O 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: 10.17188/1656107
title: Materials Data on SmFe2Ni2B by Materials Project

description: SmFe2Ni2B crystallizes in the orthorhombic Cmm2 space group. The structure is three-dimensional. there are two inequivalent Sm sites. In the first Sm site, Sm is bonded in a 6-coordinate geometry to six equivalent Ni atoms. There are four shorter (2.91 Å) and two longer (2.93 Å) Sm–Ni bond lengths. In the second Sm site, Sm is bonded in a 12-coordinate geometry to eight Fe, four equivalent Ni, and six equivalent B atoms. There are a spread of Sm–Fe bond distances ranging from 2.93–2.97 Å. All Sm–Ni bond lengths are 2.90 Å. All Sm–B bond lengths are 2.92 Å. There are three inequivalent Fe sites. In the first Fe site, Fe is bonded in a 2-coordinate geometry to two equivalent Sm, two equivalent Ni, and two equivalent B atoms. Both Fe–Ni bond lengths are 2.48 Å. Both Fe–B bond lengths are 2.07 Å. In the second Fe site, Fe is bonded in a 2-coordinate geometry to two equivalent Sm, two equivalent Ni, and two equivalent B atoms. Both Fe–Ni bond lengths are 2.48 Å. Both Fe–B bond lengths are 2.12 Å. In the third Fe site, Fe is bonded in a 2-coordinate geometry to two equivalent Sm, two equivalent Ni, and two equivalent B atoms. Both Fe–Ni bond lengths are 2.47 Å. Both Fe–B bond lengths are 2.09 Å. There are two inequivalent Ni sites. In the first Ni site, Ni is bonded in a 12-coordinate geometry to three equivalent Sm, four Fe, and two equivalent Ni atoms. Both Ni–Ni bond lengths are 2.53 Å. In the second Ni site, Ni is bonded in a distorted L-shaped geometry to two equivalent Sm, two equivalent Ni, and two equivalent B atoms. Both Ni–B bond lengths are 2.07 Å. B is bonded in a 6-coordinate geometry to three equivalent Sm, four Fe, and two equivalent Ni atoms.
DOI: 10.17188/1656108
title: Materials Data on ReMo3 by Materials Project

description: Mo3Re crystallizes in the orthorhombic Cmmm space group. The structure is three-dimensional. there are two inequivalent Mo sites. In the first Mo site, Mo is bonded in a 8-coordinate geometry to two equivalent Mo and two equivalent Re atoms. Both Mo–Mo bond lengths are 2.74 Å. Both Mo–Re bond lengths are 2.73 Å. In the second Mo site, Mo is bonded in a distorted body-centered cubic geometry to eight Mo atoms. All Mo–Mo bond lengths are 2.73 Å. Re is bonded in a 8-coordinate geometry to four equivalent Mo atoms.
DOI: 10.17188/1656109
title: Materials Data on YbAl2Cu3 by Materials Project

description: YbCu3Al2 crystallizes in the hexagonal P6/mmm space group. The structure is three-dimensional. Yb is bonded in a 6-coordinate geometry to twelve equivalent Cu and six equivalent Al atoms. All Yb–Cu bond lengths are 3.31 Å. All Yb–Al bond lengths are 3.05 Å. Cu is bonded to four equivalent Yb and four equivalent Al atoms to form a mixture of distorted edge, corner, and face-sharing CuYb4Al4 cuboctahedra. All Cu–Al bond lengths are 2.51 Å. Al is bonded in a 9-coordinate geometry to three equivalent Yb and six equivalent Cu atoms.
DOI: 10.17188/1656110
title: Materials Data on MgSi2 by Materials Project

description: MgSi2 is Magnesium tetraboride-like structured and crystallizes in the triclinic P1 space group. The structure is three-dimensional. there are four inequivalent Mg sites. In the first Mg site, Mg is bonded in a 8-coordinate geometry to eight Si atoms. There are a spread of Mg–Si bond distances ranging from 2.78–3.13 Å. In the second Mg site, Mg is bonded in a 8-coordinate geometry to eight Si atoms. There are a spread of Mg–Si bond distances ranging from 2.79–3.07 Å. In the third Mg site, Mg is bonded in a 5-coordinate geometry to six Si atoms. There are a spread of Mg–Si bond distances ranging from 2.83–3.15 Å. In the fourth Mg site, Mg is bonded in a 12-coordinate geometry to nine Si atoms. There are a spread of Mg–Si bond distances ranging from 2.77–3.19 Å. There are eight inequivalent Si sites. In the first Si site, Si is bonded in a 6-coordinate geometry to three Mg and three Si atoms. There are a spread of Si–Si bond distances ranging from 2.36–2.39 Å. In the second Si site, Si is bonded in a 8-coordinate geometry to six Mg and two equivalent Si atoms. There are one shorter (2.42 Å) and one longer (2.43 Å) Si–Si bond lengths. In the third Si site, Si is bonded in a 7-coordinate geometry to three Mg and four Si atoms. There are a spread of Si–Si bond distances ranging from 2.40–2.48 Å. In the fourth Si site, Si is bonded in a 7-coordinate geometry to three equivalent Mg and four Si atoms. There are one shorter (2.35 Å) and one longer (2.41 Å) Si–Si bond lengths. In the fifth Si site, Si is bonded in a 8-coordinate geometry to six Mg and two equivalent Si atoms. In the sixth Si site, Si is bonded in a 7-coordinate geometry to five Mg and two equivalent Si atoms. In the seventh Si site, Si is bonded in a 5-coordinate geometry to one Mg and four Si atoms. The Si–Si bond length is 2.51 Å. In the eighth Si site, Si is bonded in a 7-coordinate geometry to four Mg and three Si atoms.
DOI: 10.17188/1656111
title: Materials Data on PaNi by Materials Project

description: PaNi is Halite, Rock Salt structured and crystallizes in the trigonal R-3m space group. The structure is three-dimensional. Pa is bonded to six equivalent Ni atoms to form a mixture of edge and corner-sharing PaNi6 octahedra. The corner-sharing octahedral tilt angles are 0°. All Pa–Ni bond lengths are 2.75 Å. Ni is bonded to six equivalent Pa atoms to form a mixture of edge and corner-sharing NiPa6 octahedra. The corner-sharing octahedral tilt angles are 0°.
DOI: 10.17188/1656112
title: Materials Data on CsVC6 by Materials Project

description: CsVC6 crystallizes in the cubic Pm-3m space group. The structure is three-dimensional. Cs1+ is bonded in a 1-coordinate geometry to twenty-four equivalent C1- atoms. All Cs–C bond lengths are 3.80 Å. V5+ is bonded in an octahedral geometry to six equivalent C1- atoms. All V–C bond lengths are 2.01 Å. C1- is bonded in a distorted linear geometry to four equivalent Cs1+, one V5+, and one C1- atom. The C–C bond length is 1.27 Å.
DOI: 10.17188/1656113
title: Materials Data on CsRbSO4 by Materials Project

description: CsRbSO4 crystallizes in the trigonal P3m1 space group. The structure is three-dimensional. there are two inequivalent Cs1+ sites. In the first Cs1+ site, Cs1+ is bonded to twelve O2- atoms to form distorted CsO12 cuboctahedra that share edges with six equivalent CsO12 cuboctahedra, edges with six SO4 tetrahedra, and faces with two equivalent RbO6 octahedra. There are a spread of Cs–O bond distances ranging from 3.28–3.67 Å. In the second Cs1+ site, Cs1+ is bonded in a 7-coordinate geometry to ten O2- atoms. There are a spread of Cs–O bond distances ranging from 2.97–3.60 Å. There are two inequivalent Rb1+ sites. In the first Rb1+ site, Rb1+ is bonded in a 7-coordinate geometry to ten O2- atoms. There are a spread of Rb–O bond distances ranging from 3.00–3.55 Å. In the second Rb1+ site, Rb1+ is bonded to six O2- atoms to form RbO6 octahedra that share corners with six SO4 tetrahedra and faces with two equivalent CsO12 cuboctahedra. There are three shorter (2.80 Å) and three longer (2.81 Å) Rb–O bond lengths. There are two inequivalent S6+ sites. In the first S6+ site, S6+ is bonded to four O2- atoms to form SO4 tetrahedra that share corners with three equivalent RbO6 octahedra and edges with three equivalent CsO12 cuboctahedra. The corner-sharing octahedral tilt angles are 17°. There is one shorter (1.47 Å) and three longer (1.51 Å) S–O bond length. In the second S6+ site, S6+ is bonded to four O2- atoms to form SO4 tetrahedra that share corners with three equivalent RbO6 octahedra and edges with three equivalent CsO12 cuboctahedra. The corner-sharing octahedral tilt angles are 17°. There is one shorter (1.48 Å) and three longer (1.50 Å) S–O bond length. There are four inequivalent O2- sites. In the first O2- site, O2- is bonded in a distorted single-bond geometry to three Cs1+, two Rb1+, and one S6+ atom. In the second O2- site, O2- is bonded in a distorted single-bond geometry to four Cs1+ and one S6+ atom. In the third O2- site, O2- is bonded in a distorted single-bond geometry to two Cs1+, three Rb1+, and one S6+ atom. In the fourth O2- site, O2- is bonded in a distorted single-bond geometry to three equivalent Cs1+, one Rb1+, and one S6+ atom.
DOI: 10.17188/1656116
title: Materials Data on Cs2LiAuCl6 by Materials Project

description: Cs2LiAuCl6 is (Cubic) Perovskite-derived structured and crystallizes in the cubic Fm-3m space group. The structure is three-dimensional. Cs1+ is bonded to twelve equivalent Cl1- atoms to form CsCl12 cuboctahedra that share corners with twelve equivalent CsCl12 cuboctahedra, faces with six equivalent CsCl12 cuboctahedra, faces with four equivalent LiCl6 octahedra, and faces with four equivalent AuCl6 octahedra. All Cs–Cl bond lengths are 3.67 Å. Li1+ is bonded to six equivalent Cl1- atoms to form LiCl6 octahedra that share corners with six equivalent AuCl6 octahedra and faces with eight equivalent CsCl12 cuboctahedra. The corner-sharing octahedral tilt angles are 0°. All Li–Cl bond lengths are 2.65 Å. Au3+ is bonded to six equivalent Cl1- atoms to form AuCl6 octahedra that share corners with six equivalent LiCl6 octahedra and faces with eight equivalent CsCl12 cuboctahedra. The corner-sharing octahedral tilt angles are 0°. All Au–Cl bond lengths are 2.55 Å. Cl1- is bonded in a 6-coordinate geometry to four equivalent Cs1+, one Li1+, and one Au3+ atom.
DOI: 10.17188/1656117
title: Materials Data on AlCrO3 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: 10.17188/1656118
title: Materials Data on Hf3Al by Materials Project

description: Hf3Al is beta Cu3Ti-like structured and crystallizes in the hexagonal P6_3/mmc space group. The structure is three-dimensional. Hf is bonded to eight equivalent Hf and four equivalent Al atoms to form distorted HfHf8Al4 cuboctahedra that share corners with four equivalent AlHf12 cuboctahedra, corners with fourteen equivalent HfHf8Al4 cuboctahedra, edges with six equivalent AlHf12 cuboctahedra, edges with twelve equivalent HfHf8Al4 cuboctahedra, faces with four equivalent AlHf12 cuboctahedra, and faces with sixteen equivalent HfHf8Al4 cuboctahedra. There are a spread of Hf–Hf bond distances ranging from 3.02–3.13 Å. There are two shorter (3.05 Å) and two longer (3.08 Å) Hf–Al bond lengths. Al is bonded to twelve equivalent Hf atoms to form AlHf12 cuboctahedra that share corners with six equivalent AlHf12 cuboctahedra, corners with twelve equivalent HfHf8Al4 cuboctahedra, edges with eighteen equivalent HfHf8Al4 cuboctahedra, faces with eight equivalent AlHf12 cuboctahedra, and faces with twelve equivalent HfHf8Al4 cuboctahedra.