cometadata/datacite-titles-descriptions-related-identifiers huggingface dataset:
DOI: 10.17188/1758644
title: Materials Data on Cd(FeN)2 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: 10.17188/1758645
title: Materials Data on K3VO4 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: 10.17188/1758647
title: Materials Data on Eu(PO3)3 by Materials Project

description: Eu(PO3)3 crystallizes in the orthorhombic C222_1 space group. The structure is three-dimensional. Eu3+ is bonded in a 8-coordinate geometry to eight O2- atoms. There are a spread of Eu–O bond distances ranging from 2.41–2.73 Å. There are two inequivalent P5+ sites. In the first P5+ site, P5+ is bonded to four O2- atoms to form corner-sharing PO4 tetrahedra. There are a spread of P–O bond distances ranging from 1.49–1.62 Å. In the second P5+ site, P5+ is bonded to four O2- atoms to form corner-sharing PO4 tetrahedra. There is two shorter (1.51 Å) and two longer (1.60 Å) P–O bond length. There are five inequivalent O2- sites. In the first O2- site, O2- is bonded in a distorted single-bond geometry to two equivalent Eu3+ and one P5+ atom. In the second O2- site, O2- is bonded in a bent 150 degrees geometry to two equivalent P5+ atoms. In the third O2- site, O2- is bonded in a distorted linear geometry to one Eu3+ and one P5+ atom. In the fourth O2- site, O2- is bonded in a bent 150 degrees geometry to two P5+ atoms. In the fifth O2- site, O2- is bonded in a distorted bent 150 degrees geometry to one Eu3+ and one P5+ atom.
DOI: 10.17188/1758648
title: Materials Data on Cs2NaScCl6 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: 10.17188/1758649
title: Materials Data on Sr3ZrN3 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: 10.17188/1758651
title: Materials Data on Ce2Mg by Materials Project

description: MgCe2 is alpha Samarium-derived structured and crystallizes in the hexagonal P-6m2 space group. The structure is three-dimensional. Mg is bonded to six equivalent Mg and six Ce atoms to form MgCe6Mg6 cuboctahedra that share corners with six equivalent CeCe12 cuboctahedra, corners with twelve equivalent MgCe6Mg6 cuboctahedra, edges with six equivalent MgCe6Mg6 cuboctahedra, edges with twelve CeCe9Mg3 cuboctahedra, faces with seven equivalent MgCe6Mg6 cuboctahedra, and faces with thirteen CeCe12 cuboctahedra. All Mg–Mg bond lengths are 3.14 Å. All Mg–Ce bond lengths are 3.52 Å. There are three inequivalent Ce sites. In the first Ce site, Ce is bonded to twelve Ce atoms to form CeCe12 cuboctahedra that share corners with six equivalent CeCe12 cuboctahedra, corners with twelve equivalent MgCe6Mg6 cuboctahedra, edges with eighteen CeCe12 cuboctahedra, faces with two equivalent MgCe6Mg6 cuboctahedra, and faces with eighteen CeCe12 cuboctahedra. There are six shorter (3.14 Å) and six longer (3.51 Å) Ce–Ce bond lengths. In the second Ce site, Ce is bonded to three equivalent Mg and nine Ce atoms to form CeCe9Mg3 cuboctahedra that share corners with eighteen CeCe9Mg3 cuboctahedra, edges with six equivalent MgCe6Mg6 cuboctahedra, edges with twelve CeCe12 cuboctahedra, faces with six equivalent MgCe6Mg6 cuboctahedra, and faces with fourteen CeCe12 cuboctahedra. All Ce–Ce bond lengths are 3.14 Å. In the third Ce site, Ce is bonded to six equivalent Mg and six equivalent Ce atoms to form CeCe6Mg6 cuboctahedra that share corners with eighteen CeCe9Mg3 cuboctahedra, edges with six equivalent CeCe6Mg6 cuboctahedra, edges with twelve equivalent MgCe6Mg6 cuboctahedra, faces with eight CeCe9Mg3 cuboctahedra, and faces with twelve equivalent MgCe6Mg6 cuboctahedra. All Ce–Ce bond lengths are 3.14 Å.
DOI: 10.17188/1758652
title: Materials Data on HfTiZn2 by Materials Project

description: HfTiZn2 is Heusler structured and crystallizes in the cubic Fm-3m space group. The structure is three-dimensional. Hf is bonded in a body-centered cubic geometry to eight equivalent Zn atoms. All Hf–Zn bond lengths are 2.80 Å. Ti is bonded in a distorted body-centered cubic geometry to eight equivalent Zn atoms. All Ti–Zn bond lengths are 2.80 Å. Zn is bonded in a body-centered cubic geometry to four equivalent Hf and four equivalent Ti atoms.
DOI: 10.17188/1758653
title: Materials Data on Co4IrN4 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: 10.17188/1758655
title: Materials Data on Li3Ni2(PO4)3 by Materials Project

description: Computed materials data using density functional theory calculations. These calculations determine the electronic structure of bulk materials by solving approximations to the Schrodinger equation. For more information, see https://materialsproject.org/docs/calculations
DOI: 10.17188/1758657
title: Materials Data on Ti3V2Cu(PO4)6 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: 10.17188/1758658
title: Materials Data on Al11Re4 by Materials Project

description: Al11Re4 crystallizes in the triclinic P-1 space group. The structure is three-dimensional. there are two inequivalent Re sites. In the first Re site, Re is bonded in a 10-coordinate geometry to ten Al atoms. There are a spread of Re–Al bond distances ranging from 2.49–2.78 Å. In the second Re site, Re is bonded in a 10-coordinate geometry to ten Al atoms. There are a spread of Re–Al bond distances ranging from 2.46–2.78 Å. There are six inequivalent Al sites. In the first Al site, Al is bonded in a 4-coordinate geometry to four Re and one Al atom. The Al–Al bond length is 2.70 Å. In the second Al site, Al is bonded in a 4-coordinate geometry to four Re atoms. In the third Al site, Al is bonded in a linear geometry to two equivalent Re atoms. In the fourth Al site, Al is bonded in a 4-coordinate geometry to four Re and one Al atom. The Al–Al bond length is 2.65 Å. In the fifth Al site, Al is bonded in a 9-coordinate geometry to four Re and five Al atoms. There are a spread of Al–Al bond distances ranging from 2.61–2.78 Å. In the sixth Al site, Al is bonded in a 2-coordinate geometry to three Re and two equivalent Al atoms.
DOI: 10.17188/1758659
title: Materials Data on GeTe by Materials Project

description: GeTe crystallizes in the orthorhombic Pnma space group. The structure is two-dimensional and consists of two GeTe sheets oriented in the (0, 0, 1) direction. Ge2+ is bonded in a 6-coordinate geometry to three equivalent Te2- atoms. There are one shorter (2.79 Å) and two longer (2.81 Å) Ge–Te bond lengths. Te2- is bonded in a 3-coordinate geometry to three equivalent Ge2+ atoms.
DOI: 10.17188/1758660
title: Materials Data on Pr3(Sn3Pd2)2 by Materials Project

description: Pr3(Pd2Sn3)2 crystallizes in the orthorhombic Pnma space group. The structure is three-dimensional. there are three inequivalent Pr sites. In the first Pr site, Pr is bonded in a 6-coordinate geometry to six Pd and nine Sn atoms. There are a spread of Pr–Pd bond distances ranging from 3.49–3.67 Å. There are a spread of Pr–Sn bond distances ranging from 3.41–3.74 Å. In the second Pr site, Pr is bonded in a 6-coordinate geometry to six Pd and nine Sn atoms. There are a spread of Pr–Pd bond distances ranging from 3.44–3.54 Å. There are a spread of Pr–Sn bond distances ranging from 3.45–3.76 Å. In the third Pr site, Pr is bonded in a 12-coordinate geometry to six Pd and nine Sn atoms. There are a spread of Pr–Pd bond distances ranging from 3.35–3.62 Å. There are a spread of Pr–Sn bond distances ranging from 3.29–3.73 Å. There are four inequivalent Pd sites. In the first Pd site, Pd is bonded in a 10-coordinate geometry to five Pr and five Sn atoms. There are a spread of Pd–Sn bond distances ranging from 2.65–2.88 Å. In the second Pd site, Pd is bonded in a 10-coordinate geometry to five Pr and five Sn atoms. There are a spread of Pd–Sn bond distances ranging from 2.62–2.77 Å. In the third Pd site, Pd is bonded in a 9-coordinate geometry to four Pr and five Sn atoms. There are a spread of Pd–Sn bond distances ranging from 2.61–2.75 Å. In the fourth Pd site, Pd is bonded in a 9-coordinate geometry to four Pr and five Sn atoms. There are a spread of Pd–Sn bond distances ranging from 2.68–2.78 Å. There are six inequivalent Sn sites. In the first Sn site, Sn is bonded in a 3-coordinate geometry to four Pr, three Pd, and one Sn atom. The Sn–Sn bond length is 3.07 Å. In the second Sn site, Sn is bonded in a 4-coordinate geometry to four Pr and four Pd atoms. In the third Sn site, Sn is bonded in a 4-coordinate geometry to four Pr and four Pd atoms. In the fourth Sn site, Sn is bonded in a 3-coordinate geometry to six Pr and three Pd atoms. In the fifth Sn site, Sn is bonded in a distorted trigonal planar geometry to five Pr and three Pd atoms. In the sixth Sn site, Sn is bonded in a 2-coordinate geometry to four Pr, three equivalent Pd, and one Sn atom.
DOI: 10.17188/1758661
title: Materials Data on CsSbO3 by Materials Project

description: CsSbO3 is (Cubic) Perovskite structured and crystallizes in the cubic Pm-3m space group. The structure is three-dimensional. Cs1+ is bonded to twelve equivalent O2- atoms to form CsO12 cuboctahedra that share corners with twelve equivalent CsO12 cuboctahedra, faces with six equivalent CsO12 cuboctahedra, and faces with eight equivalent SbO6 octahedra. All Cs–O bond lengths are 2.97 Å. Sb5+ is bonded to six equivalent O2- atoms to form SbO6 octahedra that share corners with six equivalent SbO6 octahedra and faces with eight equivalent CsO12 cuboctahedra. The corner-sharing octahedral tilt angles are 0°. All Sb–O bond lengths are 2.10 Å. O2- is bonded to four equivalent Cs1+ and two equivalent Sb5+ atoms to form a mixture of distorted corner, edge, and face-sharing OCs4Sb2 octahedra. The corner-sharing octahedra tilt angles range from 0–60°.
DOI: 10.17188/1758662
title: Materials Data on HoMg2 by Materials Project

description: Mg2Ho crystallizes in the orthorhombic Ibam space group. The structure is three-dimensional. Mg is bonded in a 11-coordinate geometry to five equivalent Mg and six equivalent Ho atoms. There are a spread of Mg–Mg bond distances ranging from 2.99–3.30 Å. There are two shorter (3.42 Å) and four longer (3.43 Å) Mg–Ho bond lengths. Ho is bonded in a 12-coordinate geometry to twelve equivalent Mg and two equivalent Ho atoms. Both Ho–Ho bond lengths are 3.30 Å.
DOI: 10.17188/1758663
title: Materials Data on Ti3CuNi2(PO4)6 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: 10.17188/1758665
title: Materials Data on Sr4C2N5 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: 10.17188/1758666
title: Materials Data on UPCl7O by Materials Project

description: UPOCl7 crystallizes in the monoclinic P2_1/c space group. The structure is one-dimensional and consists of two UPOCl7 ribbons oriented in the (0, 1, 0) direction. U4+ is bonded to one O2- and six Cl1- atoms to form UCl6O pentagonal bipyramids that share a cornercorner with one PCl3O tetrahedra and edges with two equivalent UCl6O pentagonal bipyramids. The U–O bond length is 2.40 Å. There are a spread of U–Cl bond distances ranging from 2.54–2.80 Å. P5+ is bonded to one O2- and three Cl1- atoms to form PCl3O tetrahedra that share a cornercorner with one UCl6O pentagonal bipyramid. The P–O bond length is 1.49 Å. There is two shorter (1.98 Å) and one longer (1.99 Å) P–Cl bond length. O2- is bonded in a distorted bent 150 degrees geometry to one U4+ and one P5+ atom. There are seven inequivalent Cl1- sites. In the first Cl1- site, Cl1- is bonded in a single-bond geometry to one U4+ atom. In the second Cl1- site, Cl1- is bonded in a single-bond geometry to one P5+ atom. In the third Cl1- site, Cl1- is bonded in a single-bond geometry to one P5+ atom. In the fourth Cl1- site, Cl1- is bonded in a single-bond geometry to one P5+ atom. In the fifth Cl1- site, Cl1- is bonded in a distorted water-like geometry to two equivalent U4+ atoms. In the sixth Cl1- site, Cl1- is bonded in a distorted water-like geometry to two equivalent U4+ atoms. In the seventh Cl1- site, Cl1- is bonded in a single-bond geometry to one U4+ atom.
DOI: 10.17188/1758667
title: Materials Data on Ni3OF5 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: 10.17188/1758668
title: Materials Data on TlV(SO4)2 by Materials Project

description: VTl(SO4)2 crystallizes in the trigonal P321 space group. The structure is three-dimensional. V5+ is bonded to six equivalent O2- atoms to form distorted VO6 octahedra that share corners with six equivalent SO4 tetrahedra and faces with two equivalent TlO12 cuboctahedra. All V–O bond lengths are 2.05 Å. Tl1+ is bonded to twelve O2- atoms to form distorted TlO12 cuboctahedra that share edges with six equivalent TlO12 cuboctahedra, edges with six equivalent SO4 tetrahedra, and faces with two equivalent VO6 octahedra. There are six shorter (3.08 Å) and six longer (3.44 Å) Tl–O bond lengths. S5+ is bonded to four O2- atoms to form SO4 tetrahedra that share corners with three equivalent VO6 octahedra and edges with three equivalent TlO12 cuboctahedra. The corner-sharing octahedral tilt angles are 32°. There is one shorter (1.47 Å) and three longer (1.49 Å) S–O bond length. There are two inequivalent O2- sites. In the first O2- site, O2- is bonded in a bent 150 degrees geometry to one V5+, one Tl1+, and one S5+ atom. In the second O2- site, O2- is bonded in a single-bond geometry to three equivalent Tl1+ and one S5+ atom.
DOI: 10.17188/1758669
title: Materials Data on Na6WN4 by Materials Project

description: Na6WN4 crystallizes in the tetragonal P4_2/nmc space group. The structure is three-dimensional. there are two inequivalent Na1+ sites. In the first Na1+ site, Na1+ is bonded in a 4-coordinate geometry to four equivalent N3- atoms. There are two shorter (2.40 Å) and two longer (2.81 Å) Na–N bond lengths. In the second Na1+ site, Na1+ is bonded in a 4-coordinate geometry to four equivalent N3- atoms. There are two shorter (2.44 Å) and two longer (2.51 Å) Na–N bond lengths. W6+ is bonded in a tetrahedral geometry to four equivalent N3- atoms. All W–N bond lengths are 1.92 Å. N3- is bonded in a 7-coordinate geometry to six Na1+ and one W6+ atom.
DOI: 10.17188/1758670
title: Materials Data on P2H24AuC8I by Materials Project

description: AuC8P2H24I crystallizes in the orthorhombic Cmcm space group. The structure is zero-dimensional and consists of four hydriodic acid molecules and four AuC8P2H24 clusters. In each AuC8P2H24 cluster, Au1- is bonded in a rectangular see-saw-like geometry to two equivalent C4- and two equivalent P5+ atoms. Both Au–C bond lengths are 2.12 Å. Both Au–P bond lengths are 2.40 Å. There are three inequivalent C4- sites. In the first C4- site, C4- is bonded in a trigonal non-coplanar geometry to one Au1- and three H1+ atoms. All C–H bond lengths are 1.10 Å. In the second C4- site, C4- is bonded to one P5+ and three H1+ atoms to form distorted corner-sharing CPH3 tetrahedra. The C–P bond length is 1.82 Å. There is one shorter (1.09 Å) and two longer (1.10 Å) C–H bond length. In the third C4- site, C4- is bonded to one P5+ and three H1+ atoms to form distorted corner-sharing CPH3 tetrahedra. The C–P bond length is 1.82 Å. All C–H bond lengths are 1.10 Å. P5+ is bonded to one Au1- and three C4- atoms to form distorted corner-sharing PAuC3 tetrahedra. There are seven inequivalent H1+ sites. In the first H1+ site, H1+ is bonded in a single-bond geometry to one C4- atom. In the second H1+ site, H1+ is bonded in a single-bond geometry to one C4- atom. In the third H1+ site, H1+ is bonded in a single-bond geometry to one C4- atom. In the fourth H1+ site, H1+ is bonded in a single-bond geometry to one C4- atom. In the fifth H1+ site, H1+ is bonded in a single-bond geometry to one C4- atom. In the sixth H1+ site, H1+ is bonded in a single-bond geometry to one C4- atom. In the seventh H1+ site, H1+ is bonded in a single-bond geometry to one C4- atom.
DOI: 10.17188/1758672
title: Materials Data on V25O32 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: 10.17188/1758673
title: Materials Data on Ce2Co7 by Materials Project

description: Ce2Co7 crystallizes in the orthorhombic Cmcm space group. The structure is three-dimensional. there are two inequivalent Ce sites. In the first Ce site, Ce is bonded in a 12-coordinate geometry to twelve Co atoms. There are a spread of Ce–Co bond distances ranging from 2.83–3.18 Å. In the second Ce site, Ce is bonded in a 6-coordinate geometry to eighteen Co atoms. There are a spread of Ce–Co bond distances ranging from 2.82–3.25 Å. There are seven inequivalent Co sites. In the first Co site, Co is bonded in a 12-coordinate geometry to three equivalent Ce and nine Co atoms. There are a spread of Co–Co bond distances ranging from 2.44–2.85 Å. In the second Co site, Co is bonded in a 12-coordinate geometry to three equivalent Ce and nine Co atoms. There are a spread of Co–Co bond distances ranging from 2.41–2.51 Å. In the third Co site, Co is bonded to six equivalent Ce and six Co atoms to form CoCe6Co6 cuboctahedra that share corners with twelve CoCe5Co7 cuboctahedra, edges with six equivalent CoCe6Co6 cuboctahedra, and faces with eighteen CoCe5Co7 cuboctahedra. There are two shorter (2.55 Å) and four longer (2.56 Å) Co–Co bond lengths. In the fourth Co site, Co is bonded to four equivalent Ce and eight Co atoms to form CoCe4Co8 cuboctahedra that share corners with sixteen CoCe4Co8 cuboctahedra, edges with ten CoCe5Co7 cuboctahedra, and faces with ten CoCe4Co8 cuboctahedra. There are a spread of Co–Co bond distances ranging from 2.43–2.46 Å. In the fifth Co site, Co is bonded to four equivalent Ce and eight Co atoms to form CoCe4Co8 cuboctahedra that share corners with sixteen CoCe4Co8 cuboctahedra, edges with ten CoCe5Co7 cuboctahedra, and faces with ten CoCe4Co8 cuboctahedra. In the sixth Co site, Co is bonded to five Ce and seven Co atoms to form distorted CoCe5Co7 cuboctahedra that share corners with seventeen CoCe6Co6 cuboctahedra, edges with eight CoCe5Co7 cuboctahedra, and faces with fourteen CoCe6Co6 cuboctahedra. There are a spread of Co–Co bond distances ranging from 2.43–2.47 Å. In the seventh Co site, Co is bonded to five Ce and seven Co atoms to form distorted CoCe5Co7 cuboctahedra that share corners with seventeen CoCe6Co6 cuboctahedra, edges with eight CoCe5Co7 cuboctahedra, and faces with fourteen CoCe6Co6 cuboctahedra.
DOI: 10.17188/1758674
title: Materials Data on Nb3Ge by Materials Project

description: Nb3Ge crystallizes in the tetragonal I4/mcm space group. The structure is three-dimensional. there are three inequivalent Nb sites. In the first Nb site, Nb is bonded in a 4-coordinate geometry to two equivalent Nb and four equivalent Ge atoms. Both Nb–Nb bond lengths are 2.85 Å. There are a spread of Nb–Ge bond distances ranging from 2.75–3.01 Å. In the second Nb site, Nb is bonded in a 4-coordinate geometry to two equivalent Nb and four equivalent Ge atoms. Both Nb–Nb bond lengths are 2.66 Å. All Nb–Ge bond lengths are 2.72 Å. In the third Nb site, Nb is bonded in a distorted q6 geometry to ten Nb atoms. Both Nb–Nb bond lengths are 2.66 Å. Ge is bonded in a 10-coordinate geometry to ten Nb atoms.
DOI: 10.17188/1758675
title: Materials Data on CdSO5 by Materials Project

description: CdSO5 crystallizes in the monoclinic P2_1/c space group. The structure is three-dimensional. Cd is bonded to six O atoms to form CdO6 octahedra that share corners with two equivalent CdO6 octahedra and corners with four equivalent SO4 tetrahedra. The corner-sharing octahedral tilt angles are 51°. There are a spread of Cd–O bond distances ranging from 2.28–2.32 Å. S is bonded to four O atoms to form SO4 tetrahedra that share corners with four equivalent CdO6 octahedra. The corner-sharing octahedra tilt angles range from 41–61°. There are a spread of S–O bond distances ranging from 1.48–1.50 Å. There are five inequivalent O sites. In the first O site, O is bonded in a distorted bent 120 degrees geometry to one Cd and one S atom. In the second O site, O is bonded in a bent 120 degrees geometry to one Cd and one S atom. In the third O site, O is bonded in a distorted bent 120 degrees geometry to one Cd and one S atom. In the fourth O site, O is bonded in a distorted bent 150 degrees geometry to one Cd and one S atom. In the fifth O site, O is bonded in a bent 120 degrees geometry to two equivalent Cd atoms.
DOI: 10.17188/1758676
title: Materials Data on Mg3Zn by Materials Project

description: Mg3Zn1 is Uranium Silicide structured and crystallizes in the cubic Pm-3m space group. The structure is three-dimensional. Mg is bonded to eight equivalent Mg and four equivalent Zn atoms to form MgMg8Zn4 cuboctahedra that share corners with twelve equivalent MgMg8Zn4 cuboctahedra, edges with eight equivalent ZnMg12 cuboctahedra, edges with sixteen equivalent MgMg8Zn4 cuboctahedra, faces with four equivalent ZnMg12 cuboctahedra, and faces with fourteen equivalent MgMg8Zn4 cuboctahedra. All Mg–Mg bond lengths are 3.08 Å. All Mg–Zn bond lengths are 3.08 Å. Zn is bonded to twelve equivalent Mg atoms to form ZnMg12 cuboctahedra that share corners with twelve equivalent ZnMg12 cuboctahedra, edges with twenty-four equivalent MgMg8Zn4 cuboctahedra, faces with six equivalent ZnMg12 cuboctahedra, and faces with twelve equivalent MgMg8Zn4 cuboctahedra.