cometadata/datacite-titles-descriptions-related-identifiers huggingface dataset:
DOI: 10.17188/1751831
title: Materials Data on SrAgGe by Materials Project

description: SrAgGe crystallizes in the monoclinic Cm space group. The structure is three-dimensional. there are five inequivalent Sr sites. In the first Sr site, Sr is bonded in a 12-coordinate geometry to six Ag and six Ge atoms. There are a spread of Sr–Ag bond distances ranging from 3.30–3.38 Å. There are a spread of Sr–Ge bond distances ranging from 3.21–3.49 Å. In the second Sr site, Sr is bonded in a 12-coordinate geometry to five Ag and seven Ge atoms. There are a spread of Sr–Ag bond distances ranging from 3.21–3.32 Å. There are a spread of Sr–Ge bond distances ranging from 3.30–3.48 Å. In the third Sr site, Sr is bonded in a 12-coordinate geometry to six Ag and six Ge atoms. There are a spread of Sr–Ag bond distances ranging from 3.27–3.56 Å. There are a spread of Sr–Ge bond distances ranging from 3.31–3.48 Å. In the fourth Sr site, Sr is bonded in a 12-coordinate geometry to six Ag and six Ge atoms. There are a spread of Sr–Ag bond distances ranging from 3.28–3.54 Å. There are a spread of Sr–Ge bond distances ranging from 3.34–3.51 Å. In the fifth Sr site, Sr is bonded in a 12-coordinate geometry to seven Ag and five Ge atoms. There are a spread of Sr–Ag bond distances ranging from 3.20–3.95 Å. There are a spread of Sr–Ge bond distances ranging from 3.26–3.80 Å. There are five inequivalent Ag sites. In the first Ag site, Ag is bonded in a 10-coordinate geometry to six Sr, one Ag, and three Ge atoms. The Ag–Ag bond length is 2.96 Å. There are two shorter (2.72 Å) and one longer (3.19 Å) Ag–Ge bond lengths. In the second Ag site, Ag is bonded in a 10-coordinate geometry to six Sr, one Ag, and three Ge atoms. There are two shorter (2.74 Å) and one longer (3.24 Å) Ag–Ge bond lengths. In the third Ag site, Ag is bonded in a 10-coordinate geometry to six Sr, one Ag, and three Ge atoms. The Ag–Ag bond length is 2.86 Å. There are two shorter (2.68 Å) and one longer (3.15 Å) Ag–Ge bond lengths. In the fourth Ag site, Ag is bonded in a 10-coordinate geometry to six Sr and four Ge atoms. There are a spread of Ag–Ge bond distances ranging from 2.69–3.25 Å. In the fifth Ag site, Ag is bonded in a 9-coordinate geometry to six Sr, one Ag, and two equivalent Ge atoms. Both Ag–Ge bond lengths are 2.68 Å. There are five inequivalent Ge sites. In the first Ge site, Ge is bonded in a 9-coordinate geometry to six Sr and three Ag atoms. In the second Ge site, Ge is bonded in a 10-coordinate geometry to six Sr, three Ag, and one Ge atom. The Ge–Ge bond length is 2.52 Å. In the third Ge site, Ge is bonded in a 10-coordinate geometry to six Sr, three Ag, and one Ge atom. The Ge–Ge bond length is 2.56 Å. In the fourth Ge site, Ge is bonded in a 10-coordinate geometry to six Sr, three Ag, and one Ge atom. In the fifth Ge site, Ge is bonded in a 10-coordinate geometry to six Sr, three Ag, and one Ge atom.
DOI: 10.17188/1751832
title: Materials Data on Dy2MoO6 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: 10.17188/1751833
title: Materials Data on K2LuAgCl6 by Materials Project

description: K2LuAgCl6 is (Cubic) Perovskite-derived structured and crystallizes in the cubic Fm-3m space group. The structure is three-dimensional. K1+ is bonded to twelve equivalent Cl1- atoms to form KCl12 cuboctahedra that share corners with twelve equivalent KCl12 cuboctahedra, faces with six equivalent KCl12 cuboctahedra, faces with four equivalent LuCl6 octahedra, and faces with four equivalent AgCl6 octahedra. All K–Cl bond lengths are 3.75 Å. Lu3+ is bonded to six equivalent Cl1- atoms to form LuCl6 octahedra that share corners with six equivalent AgCl6 octahedra and faces with eight equivalent KCl12 cuboctahedra. The corner-sharing octahedral tilt angles are 0°. All Lu–Cl bond lengths are 2.57 Å. Ag1+ is bonded to six equivalent Cl1- atoms to form AgCl6 octahedra that share corners with six equivalent LuCl6 octahedra and faces with eight equivalent KCl12 cuboctahedra. The corner-sharing octahedral tilt angles are 0°. All Ag–Cl bond lengths are 2.73 Å. Cl1- is bonded in a distorted linear geometry to four equivalent K1+, one Lu3+, and one Ag1+ atom.
DOI: 10.17188/1751834
title: Materials Data on Ba4Ca(BiO4)3 by Materials Project

description: Ba4Ca(BiO4)3 is (Cubic) Perovskite-derived structured and crystallizes in the cubic Im-3m space group. The structure is three-dimensional. Ba is bonded to twelve O atoms to form BaO12 cuboctahedra that share corners with twelve equivalent BaO12 cuboctahedra, faces with six equivalent BaO12 cuboctahedra, faces with two equivalent CaO6 octahedra, and faces with six equivalent BiO6 octahedra. All Ba–O bond lengths are 3.10 Å. Ca is bonded to six equivalent O atoms to form CaO6 octahedra that share corners with six equivalent BiO6 octahedra and faces with eight equivalent BaO12 cuboctahedra. The corner-sharing octahedral tilt angles are 0°. All Ca–O bond lengths are 2.28 Å. Bi is bonded to six O atoms to form BiO6 octahedra that share corners with two equivalent CaO6 octahedra, corners with four equivalent BiO6 octahedra, and faces with eight equivalent BaO12 cuboctahedra. The corner-sharing octahedral tilt angles are 0°. There are two shorter (2.10 Å) and four longer (2.19 Å) Bi–O bond lengths. There are two inequivalent O sites. In the first O site, O is bonded in a distorted linear geometry to four equivalent Ba, one Ca, and one Bi atom. In the second O site, O is bonded to four equivalent Ba and two equivalent Bi atoms to form a mixture of distorted face and corner-sharing OBa4Bi2 octahedra. The corner-sharing octahedra tilt angles range from 0–60°.
DOI: 10.17188/1751835
title: Materials Data on CsH4NF2 by Materials Project

description: CsNH4F2 crystallizes in the orthorhombic Pnma space group. The structure is three-dimensional. Cs1+ is bonded in a 7-coordinate geometry to seven F1- atoms. There are a spread of Cs–F bond distances ranging from 3.10–3.24 Å. N3- is bonded in a tetrahedral geometry to four H1+ atoms. There is one shorter (1.04 Å) and three longer (1.06 Å) N–H bond length. There are three inequivalent H1+ sites. In the first H1+ site, H1+ is bonded in a distorted single-bond geometry to one N3- and one F1- atom. The H–F bond length is 1.58 Å. In the second H1+ site, H1+ is bonded in a single-bond geometry to one N3- atom. In the third H1+ site, H1+ is bonded in a single-bond geometry to one N3- atom. There are two inequivalent F1- sites. In the first F1- site, F1- is bonded in a 1-coordinate geometry to four equivalent Cs1+ and one H1+ atom. In the second F1- site, F1- is bonded in a 5-coordinate geometry to three equivalent Cs1+ atoms.
DOI: 10.17188/1751836
title: Materials Data on YbIn4Ni by Materials Project

description: YbNiIn4 crystallizes in the triclinic P1 space group. The structure is three-dimensional. there are two inequivalent Yb sites. In the first Yb site, Yb is bonded in a 1-coordinate geometry to two equivalent Ni and thirteen In atoms. There are one shorter (3.23 Å) and one longer (3.30 Å) Yb–Ni bond lengths. There are a spread of Yb–In bond distances ranging from 3.26–3.83 Å. In the second Yb site, Yb is bonded in a 7-coordinate geometry to two equivalent Ni and thirteen In atoms. There are one shorter (3.24 Å) and one longer (3.28 Å) Yb–Ni bond lengths. There are a spread of Yb–In bond distances ranging from 3.27–3.85 Å. There are two inequivalent Ni sites. In the first Ni site, Ni is bonded in a 9-coordinate geometry to two equivalent Yb and seven In atoms. There are a spread of Ni–In bond distances ranging from 2.60–2.77 Å. In the second Ni site, Ni is bonded in a 9-coordinate geometry to two equivalent Yb and seven In atoms. There are a spread of Ni–In bond distances ranging from 2.60–2.78 Å. There are eight inequivalent In sites. In the first In site, In is bonded in a 2-coordinate geometry to three Yb, one Ni, and eight In atoms. There are a spread of In–In bond distances ranging from 3.11–3.31 Å. In the second In site, In is bonded in a 12-coordinate geometry to three Yb, three Ni, and six In atoms. There are a spread of In–In bond distances ranging from 2.99–3.17 Å. In the third In site, In is bonded in a 2-coordinate geometry to three Yb, one Ni, and eight In atoms. There are a spread of In–In bond distances ranging from 3.11–3.31 Å. In the fourth In site, In is bonded in a 12-coordinate geometry to three Yb, three Ni, and six In atoms. There are two shorter (3.11 Å) and one longer (3.16 Å) In–In bond lengths. In the fifth In site, In is bonded in a 12-coordinate geometry to three Yb, three Ni, and six In atoms. There are one shorter (3.00 Å) and one longer (3.10 Å) In–In bond lengths. In the sixth In site, In is bonded in a distorted q6 geometry to four Yb and six In atoms. The In–In bond length is 3.09 Å. In the seventh In site, In is bonded in a distorted q6 geometry to four Yb and six In atoms. In the eighth In site, In is bonded in a 12-coordinate geometry to three Yb, three Ni, and six In atoms.
DOI: 10.17188/1751837
title: Materials Data on KPbN 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: 10.17188/1751838
title: Materials Data on Pt(NCl)4 by Materials Project

description: Pt(NCl)4 crystallizes in the tetragonal I4/mmm space group. The structure is two-dimensional and consists of two Pt(NCl)4 sheets oriented in the (0, 0, 1) direction. Pt2+ is bonded in an octahedral geometry to four equivalent N+0.50+ and two equivalent Cl1- atoms. All Pt–N bond lengths are 1.96 Å. Both Pt–Cl bond lengths are 2.40 Å. N+0.50+ is bonded in a distorted T-shaped geometry to one Pt2+ and two equivalent Cl1- atoms. Both N–Cl bond lengths are 2.13 Å. There are two inequivalent Cl1- sites. In the first Cl1- site, Cl1- is bonded in a single-bond geometry to one Pt2+ atom. In the second Cl1- site, Cl1- is bonded in a square co-planar geometry to four equivalent N+0.50+ atoms.
DOI: 10.17188/1751839
title: Materials Data on NaMn3V4O12 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: 10.17188/1751840
title: Materials Data on Dy(Al5Fe)2 by Materials Project

description: DyFe2Al10 crystallizes in the orthorhombic Cmcm space group. The structure is three-dimensional. Dy is bonded in a 10-coordinate geometry to four equivalent Fe and sixteen Al atoms. All Dy–Fe bond lengths are 3.41 Å. There are a spread of Dy–Al bond distances ranging from 3.11–3.64 Å. Fe is bonded in a 10-coordinate geometry to two equivalent Dy and ten Al atoms. There are a spread of Fe–Al bond distances ranging from 2.51–2.70 Å. There are five inequivalent Al sites. In the first Al site, Al is bonded in a 2-coordinate geometry to one Dy, two equivalent Fe, and eight Al atoms. There are a spread of Al–Al bond distances ranging from 2.55–2.99 Å. In the second Al site, Al is bonded in a 2-coordinate geometry to two equivalent Dy, two equivalent Fe, and eight Al atoms. There are a spread of Al–Al bond distances ranging from 2.69–2.81 Å. In the third Al site, Al is bonded in a 12-coordinate geometry to two equivalent Dy, two equivalent Fe, and eight Al atoms. There are a spread of Al–Al bond distances ranging from 2.75–2.90 Å. In the fourth Al site, Al is bonded in a 2-coordinate geometry to two equivalent Dy, two equivalent Fe, and eight Al atoms. There are one shorter (2.58 Å) and one longer (2.80 Å) Al–Al bond lengths. In the fifth Al site, Al is bonded to one Dy, two equivalent Fe, and nine Al atoms to form a mixture of distorted face and corner-sharing AlDyAl9Fe2 cuboctahedra. The Al–Al bond length is 2.70 Å.
DOI: 10.17188/1751841
title: Materials Data on LiIO3 by Materials Project

description: LiIO3 crystallizes in the hexagonal P6_3/mmc space group. The structure is three-dimensional. Li1+ is bonded in a distorted body-centered cubic geometry to two equivalent Li1+ and six equivalent O2- atoms. Both Li–Li bond lengths are 1.77 Å. All Li–O bond lengths are 2.05 Å. O2- is bonded in a 4-coordinate geometry to two equivalent Li1+ and two equivalent I5+ atoms. Both O–I bond lengths are 2.28 Å. I5+ is bonded in a 12-coordinate geometry to six equivalent O2- atoms.
DOI: 10.17188/1751842
title: Materials Data on Ta3Ru by Materials Project

description: Ta3Ru crystallizes in the orthorhombic Cmmm space group. The structure is three-dimensional. there are two inequivalent Ta sites. In the first Ta site, Ta is bonded in a 2-coordinate geometry to two equivalent Ta and two equivalent Ru atoms. Both Ta–Ta bond lengths are 2.86 Å. Both Ta–Ru bond lengths are 2.67 Å. In the second Ta site, Ta is bonded in a distorted body-centered cubic geometry to eight Ta atoms. All Ta–Ta bond lengths are 2.88 Å. Ru is bonded in a 4-coordinate geometry to four equivalent Ta atoms.
DOI: 10.17188/1751843
title: Materials Data on U2Mn(PO11)2 by Materials Project

description: (UPO6)2MnO10 crystallizes in the monoclinic C2/m space group. The structure is two-dimensional and consists of two MnO10 clusters and two UPO6 sheets oriented in the (0, 1, 0) direction. In each MnO10 cluster, Mn is bonded in a distorted octahedral geometry to six O atoms. There is two shorter (1.66 Å) and four longer (2.26 Å) Mn–O bond length. There are three inequivalent O sites. In the first O site, O is bonded in a single-bond geometry to one Mn atom. In the second O site, O is bonded in a single-bond geometry to one O atom. The O–O bond length is 1.24 Å. In the third O site, O is bonded in a bent 120 degrees geometry to one Mn and one O atom. In each UPO6 sheet, U is bonded to six O atoms to form UO6 octahedra that share corners with four equivalent PO4 tetrahedra. There are two shorter (1.81 Å) and four longer (2.28 Å) U–O bond lengths. P is bonded to four O atoms to form PO4 tetrahedra that share corners with four equivalent UO6 octahedra. The corner-sharing octahedral tilt angles are 36°. All P–O bond lengths are 1.55 Å. There are four inequivalent O sites. In the first O site, O is bonded in a single-bond geometry to one U atom. In the second O site, O is bonded in a single-bond geometry to one U atom. In the third O site, O is bonded in a bent 150 degrees geometry to one U and one P atom. In the fourth O site, O is bonded in a bent 150 degrees geometry to one U and one P atom.
DOI: 10.17188/1751844
title: Materials Data on Ga2Hg3Cl8 by Materials Project

description: Hg3Ga2Cl8 crystallizes in the monoclinic P2_1/c space group. The structure is three-dimensional. there are three inequivalent Hg1+ sites. In the first Hg1+ site, Hg1+ is bonded to two Hg1+ and four Cl1- atoms to form distorted HgHg2Cl4 octahedra that share corners with four GaCl4 tetrahedra and an edgeedge with one HgHg2Cl4 octahedra. There are one shorter (2.65 Å) and one longer (2.67 Å) Hg–Hg bond lengths. There are a spread of Hg–Cl bond distances ranging from 3.58–3.68 Å. In the second Hg1+ site, Hg1+ is bonded in a distorted single-bond geometry to one Hg1+ and one Cl1- atom. The Hg–Cl bond length is 2.56 Å. In the third Hg1+ site, Hg1+ is bonded in a 1-coordinate geometry to one Hg1+ and four Cl1- atoms. There are a spread of Hg–Cl bond distances ranging from 2.60–3.55 Å. There are two inequivalent Ga+2.50+ sites. In the first Ga+2.50+ site, Ga+2.50+ is bonded to four Cl1- atoms to form GaCl4 tetrahedra that share a cornercorner with one HgHg2Cl4 octahedra. The corner-sharing octahedral tilt angles are 68°. There are a spread of Ga–Cl bond distances ranging from 2.18–2.30 Å. In the second Ga+2.50+ site, Ga+2.50+ is bonded to four Cl1- atoms to form GaCl4 tetrahedra that share corners with three equivalent HgHg2Cl4 octahedra. The corner-sharing octahedra tilt angles range from 65–71°. There are a spread of Ga–Cl bond distances ranging from 2.18–2.27 Å. There are eight inequivalent Cl1- sites. In the first Cl1- site, Cl1- is bonded in a distorted single-bond geometry to one Ga+2.50+ atom. In the second Cl1- site, Cl1- is bonded in a distorted single-bond geometry to one Hg1+ and one Ga+2.50+ atom. In the third Cl1- site, Cl1- is bonded in a water-like geometry to one Hg1+ and one Ga+2.50+ atom. In the fourth Cl1- site, Cl1- is bonded in a distorted single-bond geometry to one Hg1+ and one Ga+2.50+ atom. In the fifth Cl1- site, Cl1- is bonded in a single-bond geometry to three Hg1+ and one Ga+2.50+ atom. In the sixth Cl1- site, Cl1- is bonded in a distorted single-bond geometry to one Hg1+ and one Ga+2.50+ atom. In the seventh Cl1- site, Cl1- is bonded in a single-bond geometry to one Hg1+ and one Ga+2.50+ atom. In the eighth Cl1- site, Cl1- is bonded in a water-like geometry to one Hg1+ and one Ga+2.50+ atom.
DOI: 10.17188/1751846
title: Materials Data on Li4Fe5NiO12 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: 10.17188/1751847
title: Materials Data on LaMgTiFeO6 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: 10.17188/1751848
title: Materials Data on CrPb6(Cl3O4)2 by Materials Project

description: CrPb6(O4Cl3)2 crystallizes in the trigonal R-3 space group. The structure is three-dimensional. Cr6+ is bonded in an octahedral geometry to six equivalent O2- atoms. All Cr–O bond lengths are 1.86 Å. Pb+2.67+ is bonded in a 6-coordinate geometry to three O2- and two equivalent Cl1- atoms. There are a spread of Pb–O bond distances ranging from 2.34–2.94 Å. There are one shorter (2.95 Å) and one longer (3.15 Å) Pb–Cl bond lengths. There are two inequivalent O2- sites. In the first O2- site, O2- is bonded in a 1-coordinate geometry to one Cr6+ and two equivalent Pb+2.67+ atoms. In the second O2- site, O2- is bonded in a 1-coordinate geometry to three equivalent Pb+2.67+ and one O2- atom. The O–O bond length is 1.26 Å. Cl1- is bonded in a 2-coordinate geometry to two equivalent Pb+2.67+ atoms.
DOI: 10.17188/1751849
title: Materials Data on Li2NiCSO7 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: 10.17188/1751850
title: Materials Data on DyGaSe3 by Materials Project

description: DyGaSe3 crystallizes in the orthorhombic Pnma space group. The structure is three-dimensional. Dy3+ is bonded to seven Se2- atoms to form distorted DySe7 pentagonal bipyramids that share corners with eight equivalent GaSe5 square pyramids, edges with six equivalent DySe7 pentagonal bipyramids, and a faceface with one GaSe5 square pyramid. There are a spread of Dy–Se bond distances ranging from 2.82–2.99 Å. Ga3+ is bonded to five Se2- atoms to form distorted GaSe5 square pyramids that share corners with eight equivalent DySe7 pentagonal bipyramids, edges with two equivalent GaSe5 square pyramids, and a faceface with one DySe7 pentagonal bipyramid. There are a spread of Ga–Se bond distances ranging from 2.46–2.88 Å. There are three inequivalent Se2- sites. In the first Se2- site, Se2- is bonded to three equivalent Dy3+ and one Ga3+ atom to form a mixture of distorted edge and corner-sharing SeDy3Ga trigonal pyramids. In the second Se2- site, Se2- is bonded in a distorted trigonal planar geometry to one Dy3+ and two equivalent Ga3+ atoms. In the third Se2- site, Se2- is bonded in a 5-coordinate geometry to three equivalent Dy3+ and two equivalent Ga3+ atoms.
DOI: 10.17188/1751851
title: Materials Data on Th3Mo by Materials Project

description: Th3Mo is beta Cu3Ti-like structured and crystallizes in the hexagonal P6_3/mmc space group. The structure is three-dimensional. Th is bonded to eight equivalent Th and four equivalent Mo atoms to form distorted ThTh8Mo4 cuboctahedra that share corners with four equivalent MoTh12 cuboctahedra, corners with fourteen equivalent ThTh8Mo4 cuboctahedra, edges with six equivalent MoTh12 cuboctahedra, edges with twelve equivalent ThTh8Mo4 cuboctahedra, faces with four equivalent MoTh12 cuboctahedra, and faces with sixteen equivalent ThTh8Mo4 cuboctahedra. There are a spread of Th–Th bond distances ranging from 3.14–3.53 Å. There are two shorter (3.34 Å) and two longer (3.39 Å) Th–Mo bond lengths. Mo is bonded to twelve equivalent Th atoms to form MoTh12 cuboctahedra that share corners with six equivalent MoTh12 cuboctahedra, corners with twelve equivalent ThTh8Mo4 cuboctahedra, edges with eighteen equivalent ThTh8Mo4 cuboctahedra, faces with eight equivalent MoTh12 cuboctahedra, and faces with twelve equivalent ThTh8Mo4 cuboctahedra.
DOI: 10.17188/1751852
title: Materials Data on Yb3Nb by Materials Project

description: Yb3Nb is beta Cu3Ti-like structured and crystallizes in the tetragonal I4/mmm space group. The structure is three-dimensional. there are two inequivalent Yb sites. In the first Yb site, Yb is bonded to eight Yb and four equivalent Nb atoms to form distorted YbYb8Nb4 cuboctahedra that share corners with twelve equivalent YbYb8Nb4 cuboctahedra, edges with eight equivalent NbYb12 cuboctahedra, edges with sixteen YbYb8Nb4 cuboctahedra, faces with four equivalent NbYb12 cuboctahedra, and faces with fourteen YbYb8Nb4 cuboctahedra. There are four shorter (3.49 Å) and four longer (3.55 Å) Yb–Yb bond lengths. All Yb–Nb bond lengths are 3.49 Å. In the second Yb site, Yb is bonded to eight equivalent Yb and four equivalent Nb atoms to form YbYb8Nb4 cuboctahedra that share corners with four equivalent YbYb8Nb4 cuboctahedra, corners with eight equivalent NbYb12 cuboctahedra, edges with twenty-four YbYb8Nb4 cuboctahedra, faces with six equivalent NbYb12 cuboctahedra, and faces with twelve YbYb8Nb4 cuboctahedra. All Yb–Nb bond lengths are 3.55 Å. Nb is bonded to twelve Yb atoms to form NbYb12 cuboctahedra that share corners with four equivalent NbYb12 cuboctahedra, corners with eight equivalent YbYb8Nb4 cuboctahedra, edges with eight equivalent NbYb12 cuboctahedra, edges with sixteen equivalent YbYb8Nb4 cuboctahedra, faces with four equivalent NbYb12 cuboctahedra, and faces with fourteen YbYb8Nb4 cuboctahedra.