cometadata/datacite-titles-descriptions-related-identifiers huggingface dataset:
DOI: 10.17188/1273925
title: Materials Data on K(In3Au2)2 by Materials Project

description: K(Au2In3)2 crystallizes in the hexagonal P-6m2 space group. The structure is three-dimensional. K is bonded to six equivalent Au and six equivalent In atoms to form face-sharing KIn6Au6 cuboctahedra. All K–Au bond lengths are 3.70 Å. All K–In bond lengths are 3.61 Å. There are two inequivalent Au sites. In the first Au site, Au is bonded in a 6-coordinate geometry to two equivalent K and six In atoms. There are two shorter (2.88 Å) and four longer (2.93 Å) Au–In bond lengths. In the second Au site, Au is bonded in a 9-coordinate geometry to nine In atoms. There are three shorter (2.89 Å) and six longer (2.99 Å) Au–In bond lengths. There are two inequivalent In sites. In the first In site, In is bonded in a 5-coordinate geometry to five Au atoms. In the second In site, In is bonded in a 4-coordinate geometry to two equivalent K and four Au atoms.
DOI: 10.17188/1273926
title: Materials Data on In3Au7 by Materials Project

description: Au7In3 crystallizes in the trigonal P-3 space group. The structure is three-dimensional. there are ten inequivalent Au1- sites. In the first Au1- site, Au1- is bonded to six equivalent Au1- and six equivalent In+2.33+ atoms to form face-sharing AuIn6Au6 cuboctahedra. All Au–Au bond lengths are 2.93 Å. All Au–In bond lengths are 3.11 Å. In the second Au1- site, Au1- is bonded in a 4-coordinate geometry to one Au1- and four In+2.33+ atoms. The Au–Au bond length is 2.91 Å. There are a spread of Au–In bond distances ranging from 2.88–3.15 Å. In the third Au1- site, Au1- is bonded in a 5-coordinate geometry to five In+2.33+ atoms. There are a spread of Au–In bond distances ranging from 2.86–3.15 Å. In the fourth Au1- site, Au1- is bonded in a 3-coordinate geometry to three In+2.33+ atoms. There are a spread of Au–In bond distances ranging from 2.83–2.97 Å. In the fifth Au1- site, Au1- is bonded in a 12-coordinate geometry to one Au1- and four In+2.33+ atoms. There are a spread of Au–In bond distances ranging from 2.88–3.03 Å. In the sixth Au1- site, Au1- is bonded in a 12-coordinate geometry to five In+2.33+ atoms. There are a spread of Au–In bond distances ranging from 2.88–3.14 Å. In the seventh Au1- site, Au1- is bonded in a 12-coordinate geometry to six In+2.33+ atoms. There are three shorter (2.94 Å) and three longer (3.36 Å) Au–In bond lengths. In the eighth Au1- site, Au1- is bonded in a 3-coordinate geometry to three equivalent In+2.33+ atoms. All Au–In bond lengths are 2.91 Å. In the ninth Au1- site, Au1- is bonded to six equivalent Au1- and six equivalent In+2.33+ atoms to form face-sharing AuIn6Au6 cuboctahedra. All Au–In bond lengths are 3.13 Å. In the tenth Au1- site, Au1- is bonded in a 3-coordinate geometry to four In+2.33+ atoms. There are a spread of Au–In bond distances ranging from 2.87–3.37 Å. There are three inequivalent In+2.33+ sites. In the first In+2.33+ site, In+2.33+ is bonded in a 9-coordinate geometry to nine Au1- atoms. In the second In+2.33+ site, In+2.33+ is bonded in a 10-coordinate geometry to ten Au1- atoms. In the third In+2.33+ site, In+2.33+ is bonded in a 11-coordinate geometry to eleven Au1- atoms.
DOI: 10.17188/1273927
title: Materials Data on SiC by Materials Project

description: SiC is Moissanite-6H-like structured and crystallizes in the hexagonal P6_3mc space group. The structure is three-dimensional. there are five inequivalent Si4+ sites. In the first Si4+ site, Si4+ is bonded to four C4- atoms to form corner-sharing SiC4 tetrahedra. All Si–C bond lengths are 1.90 Å. In the second Si4+ site, Si4+ is bonded to four C4- atoms to form corner-sharing SiC4 tetrahedra. There is three shorter (1.89 Å) and one longer (1.90 Å) Si–C bond length. In the third Si4+ site, Si4+ is bonded to four C4- atoms to form corner-sharing SiC4 tetrahedra. There is three shorter (1.89 Å) and one longer (1.90 Å) Si–C bond length. In the fourth Si4+ site, Si4+ is bonded to four C4- atoms to form corner-sharing SiC4 tetrahedra. There is three shorter (1.89 Å) and one longer (1.90 Å) Si–C bond length. In the fifth Si4+ site, Si4+ is bonded to four C4- atoms to form corner-sharing SiC4 tetrahedra. All Si–C bond lengths are 1.90 Å. There are five inequivalent C4- sites. In the first C4- site, C4- is bonded to four Si4+ atoms to form corner-sharing CSi4 tetrahedra. In the second C4- site, C4- is bonded to four Si4+ atoms to form corner-sharing CSi4 tetrahedra. In the third C4- site, C4- is bonded to four Si4+ atoms to form corner-sharing CSi4 tetrahedra. In the fourth C4- site, C4- is bonded to four Si4+ atoms to form corner-sharing CSi4 tetrahedra. In the fifth C4- site, C4- is bonded to four Si4+ atoms to form corner-sharing CSi4 tetrahedra.
DOI: 10.17188/1273928
title: Materials Data on Na7Fe4(PO4)6 (SG:167) 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: 10.17188/1273929
title: Materials Data on Ce2(Al5Ru)3 by Materials Project

description: Ce2(RuAl5)3 crystallizes in the hexagonal P6_3/mcm space group. The structure is three-dimensional. there are two inequivalent Ce sites. In the first Ce site, Ce is bonded in a 8-coordinate geometry to four equivalent Ru and fourteen Al atoms. All Ce–Ru bond lengths are 3.44 Å. There are a spread of Ce–Al bond distances ranging from 3.14–3.37 Å. In the second Ce site, Ce is bonded in a 12-coordinate geometry to eighteen Al atoms. There are a spread of Ce–Al bond distances ranging from 3.26–3.65 Å. Ru is bonded in a 10-coordinate geometry to two equivalent Ce and ten Al atoms. There are a spread of Ru–Al bond distances ranging from 2.58–2.70 Å. There are five inequivalent Al sites. In the first Al site, Al is bonded in a 2-coordinate geometry to one Ce, two equivalent Ru, and one Al atom. The Al–Al bond length is 2.72 Å. In the second Al site, Al is bonded in a 2-coordinate geometry to two equivalent Ce, two equivalent Ru, and two equivalent Al atoms. Both Al–Al bond lengths are 2.82 Å. In the third Al site, Al is bonded in a 2-coordinate geometry to three Ce, two equivalent Ru, and four equivalent Al atoms. There are two shorter (2.76 Å) and two longer (2.87 Å) Al–Al bond lengths. In the fourth Al site, Al is bonded in a distorted linear geometry to two equivalent Ce and two equivalent Ru atoms. In the fifth Al site, Al is bonded in a 2-coordinate geometry to two Ce, two equivalent Ru, and eight Al atoms. The Al–Al bond length is 2.73 Å.
DOI: 10.17188/1273930
title: Materials Data on Pr5C2Cl9 by Materials Project

description: Pr5C2Cl9 crystallizes in the triclinic P-1 space group. The structure is three-dimensional. there are five inequivalent Pr3+ sites. In the first Pr3+ site, Pr3+ is bonded in a 9-coordinate geometry to two C3- and seven Cl1- atoms. There are one shorter (2.46 Å) and one longer (2.49 Å) Pr–C bond lengths. There are a spread of Pr–Cl bond distances ranging from 2.91–3.41 Å. In the second Pr3+ site, Pr3+ is bonded in a 8-coordinate geometry to two C3- and six Cl1- atoms. There are one shorter (2.48 Å) and one longer (2.49 Å) Pr–C bond lengths. There are a spread of Pr–Cl bond distances ranging from 2.87–3.24 Å. In the third Pr3+ site, Pr3+ is bonded in a 7-coordinate geometry to one C3- and six Cl1- atoms. The Pr–C bond length is 2.34 Å. There are a spread of Pr–Cl bond distances ranging from 2.86–3.12 Å. In the fourth Pr3+ site, Pr3+ is bonded in a 7-coordinate geometry to two C3- and seven Cl1- atoms. There are one shorter (2.47 Å) and one longer (2.50 Å) Pr–C bond lengths. There are a spread of Pr–Cl bond distances ranging from 2.84–3.47 Å. In the fifth Pr3+ site, Pr3+ is bonded to one C3- and six Cl1- atoms to form a mixture of distorted edge and corner-sharing PrCCl6 pentagonal bipyramids. The Pr–C bond length is 2.33 Å. There are a spread of Pr–Cl bond distances ranging from 2.83–3.14 Å. There are two inequivalent C3- sites. In the first C3- site, C3- is bonded in a 5-coordinate geometry to four Pr3+ and one C3- atom. The C–C bond length is 1.45 Å. In the second C3- site, C3- is bonded in a 5-coordinate geometry to four Pr3+ and one C3- atom. There are ten inequivalent Cl1- sites. In the first Cl1- site, Cl1- is bonded in a 2-coordinate geometry to four Pr3+ atoms. In the second Cl1- site, Cl1- is bonded in a 3-coordinate geometry to three Pr3+ atoms. In the third Cl1- site, Cl1- is bonded in a 3-coordinate geometry to four Pr3+ atoms. In the fourth Cl1- site, Cl1- is bonded in a distorted see-saw-like geometry to four Pr3+ atoms. In the fifth Cl1- site, Cl1- is bonded in a distorted trigonal non-coplanar geometry to three Pr3+ atoms. In the sixth Cl1- site, Cl1- is bonded in a trigonal planar geometry to three Pr3+ atoms. In the seventh Cl1- site, Cl1- is bonded in a 4-coordinate geometry to four Pr3+ atoms. In the eighth Cl1- site, Cl1- is bonded in a distorted trigonal non-coplanar geometry to three Pr3+ atoms. In the ninth Cl1- site, Cl1- is bonded in a 4-coordinate geometry to four Pr3+ atoms. In the tenth Cl1- site, Cl1- is bonded in a distorted linear geometry to four Pr3+ atoms.
DOI: 10.17188/1273931
title: Materials Data on Ho7FeI12 by Materials Project

description: Ho7FeI12 is trigonal omega-derived structured and crystallizes in the trigonal R-3 space group. The structure is three-dimensional. there are two inequivalent Ho sites. In the first Ho site, Ho is bonded to one Fe and five I atoms to form a mixture of distorted edge and corner-sharing HoFeI5 octahedra. The corner-sharing octahedra tilt angles range from 0–9°. The Ho–Fe bond length is 2.59 Å. There are a spread of Ho–I bond distances ranging from 3.08–3.50 Å. In the second Ho site, Ho is bonded to six equivalent I atoms to form edge-sharing HoI6 octahedra. All Ho–I bond lengths are 3.03 Å. Fe is bonded in an octahedral geometry to six equivalent Ho atoms. There are two inequivalent I sites. In the first I site, I is bonded in a distorted T-shaped geometry to three Ho atoms. In the second I site, I is bonded in a 3-coordinate geometry to three equivalent Ho atoms.
DOI: 10.17188/1273932
title: Materials Data on CdI2 by Materials Project

description: CdI2 is trigonal omega-like structured and crystallizes in the trigonal P-3m1 space group. The structure is two-dimensional and consists of nine CdI2 sheets oriented in the (0, 0, 1) direction. Cd2+ is bonded to six equivalent I1- atoms to form edge-sharing CdI6 octahedra. All Cd–I bond lengths are 3.04 Å. I1- is bonded in a distorted T-shaped geometry to three equivalent Cd2+ atoms.
DOI: 10.17188/1273933
title: Materials Data on SrCa2WN4 by Materials Project

description: SrCa2WN4 crystallizes in the orthorhombic Pbca space group. The structure is three-dimensional. Sr2+ is bonded in a 5-coordinate geometry to five N3- atoms. There are a spread of Sr–N bond distances ranging from 2.58–3.04 Å. There are two inequivalent Ca2+ sites. In the first Ca2+ site, Ca2+ is bonded in a 6-coordinate geometry to six N3- atoms. There are a spread of Ca–N bond distances ranging from 2.42–2.90 Å. In the second Ca2+ site, Ca2+ is bonded in a 6-coordinate geometry to six N3- atoms. There are a spread of Ca–N bond distances ranging from 2.37–2.96 Å. W6+ is bonded in a tetrahedral geometry to four N3- atoms. There is one shorter (1.88 Å) and three longer (1.89 Å) W–N bond length. There are four inequivalent N3- sites. In the first N3- site, N3- is bonded to one Sr2+, three Ca2+, and one W6+ atom to form a mixture of distorted edge and corner-sharing NSrCa3W square pyramids. In the second N3- site, N3- is bonded in a 5-coordinate geometry to one Sr2+, three Ca2+, and one W6+ atom. In the third N3- site, N3- is bonded to one Sr2+, three Ca2+, and one W6+ atom to form a mixture of distorted edge and corner-sharing NSrCa3W trigonal bipyramids. In the fourth N3- site, N3- is bonded in a 6-coordinate geometry to two equivalent Sr2+, three Ca2+, and one W6+ atom.
DOI: 10.17188/1273934
title: Materials Data on GdCBr by Materials Project

description: GdCBr crystallizes in the monoclinic C2/m space group. The structure is two-dimensional and consists of one GdCBr sheet oriented in the (0, 0, 1) direction. Gd3+ is bonded in a 8-coordinate geometry to five equivalent C2- and three equivalent Br1- atoms. There are a spread of Gd–C bond distances ranging from 2.37–2.68 Å. There are two shorter (2.93 Å) and one longer (3.09 Å) Gd–Br bond lengths. C2- is bonded in a 6-coordinate geometry to five equivalent Gd3+ and one C2- atom. The C–C bond length is 1.33 Å. Br1- is bonded in a 3-coordinate geometry to three equivalent Gd3+ atoms.
DOI: 10.17188/1273935
title: Materials Data on Rb2UBr6 by Materials Project

description: Rb2UBr6 crystallizes in the cubic Fm-3m space group. The structure is three-dimensional. Rb1+ is bonded to twelve equivalent Br1- atoms to form RbBr12 cuboctahedra that share corners with twelve equivalent RbBr12 cuboctahedra, faces with six equivalent RbBr12 cuboctahedra, and faces with four equivalent UBr6 octahedra. All Rb–Br bond lengths are 3.96 Å. U4+ is bonded to six equivalent Br1- atoms to form UBr6 octahedra that share faces with eight equivalent RbBr12 cuboctahedra. All U–Br bond lengths are 2.78 Å. Br1- is bonded in a distorted single-bond geometry to four equivalent Rb1+ and one U4+ atom.
DOI: 10.17188/1273936
title: Materials Data on Cs2Na(C2N3)3 by Materials Project

description: Cs2Na(C2N3)3 crystallizes in the hexagonal P6_3/m space group. The structure is three-dimensional. Cs1+ is bonded in a 6-coordinate geometry to six equivalent N3- atoms. There are three shorter (3.28 Å) and three longer (3.43 Å) Cs–N bond lengths. Na1+ is bonded in an octahedral geometry to six equivalent N3- atoms. All Na–N bond lengths are 2.52 Å. C4+ is bonded in a linear geometry to two N3- atoms. There is one shorter (1.18 Å) and one longer (1.30 Å) C–N bond length. There are two inequivalent N3- sites. In the first N3- site, N3- is bonded in a 2-coordinate geometry to two equivalent Cs1+, one Na1+, and one C4+ atom. In the second N3- site, N3- is bonded in a bent 120 degrees geometry to two equivalent C4+ atoms.
DOI: 10.17188/1273938
title: Materials Data on Ce2Si4Pt7 by Materials Project

description: Ce2Pt7Si4 crystallizes in the orthorhombic Pnma space group. The structure is three-dimensional. there are two inequivalent Ce3+ sites. In the first Ce3+ site, Ce3+ is bonded in a 4-coordinate geometry to eleven Pt2- atoms. There are a spread of Ce–Pt bond distances ranging from 3.09–3.71 Å. In the second Ce3+ site, Ce3+ is bonded in a 7-coordinate geometry to eleven Pt2- atoms. There are a spread of Ce–Pt bond distances ranging from 3.12–3.65 Å. There are seven inequivalent Pt2- sites. In the first Pt2- site, Pt2- is bonded in a 2-coordinate geometry to three equivalent Ce3+ and four Si2+ atoms. There are a spread of Pt–Si bond distances ranging from 2.37–2.79 Å. In the second Pt2- site, Pt2- is bonded to four Ce3+ and four Si2+ atoms to form a mixture of distorted face and edge-sharing PtCe4Si4 tetrahedra. There are a spread of Pt–Si bond distances ranging from 2.47–2.54 Å. In the third Pt2- site, Pt2- is bonded in a 2-coordinate geometry to four Ce3+ and four Si2+ atoms. There are a spread of Pt–Si bond distances ranging from 2.39–2.86 Å. In the fourth Pt2- site, Pt2- is bonded in a 6-coordinate geometry to three Ce3+ and four Si2+ atoms. There are a spread of Pt–Si bond distances ranging from 2.38–2.57 Å. In the fifth Pt2- site, Pt2- is bonded in a 3-coordinate geometry to three Ce3+ and three Si2+ atoms. There are one shorter (2.35 Å) and two longer (2.49 Å) Pt–Si bond lengths. In the sixth Pt2- site, Pt2- is bonded in a 3-coordinate geometry to three equivalent Ce3+ and three Si2+ atoms. All Pt–Si bond lengths are 2.48 Å. In the seventh Pt2- site, Pt2- is bonded in a 3-coordinate geometry to two Ce3+ and three Si2+ atoms. There are one shorter (2.37 Å) and two longer (2.60 Å) Pt–Si bond lengths. There are four inequivalent Si2+ sites. In the first Si2+ site, Si2+ is bonded in a 6-coordinate geometry to six Pt2- atoms. In the second Si2+ site, Si2+ is bonded in a 7-coordinate geometry to seven Pt2- atoms. In the third Si2+ site, Si2+ is bonded in a 7-coordinate geometry to seven Pt2- atoms. In the fourth Si2+ site, Si2+ is bonded in a 5-coordinate geometry to five Pt2- atoms.
DOI: 10.17188/1273939
title: Materials Data on PaC by Materials Project

description: PaC is Halite, Rock Salt structured and crystallizes in the cubic Fm-3m space group. The structure is three-dimensional. Pa4+ is bonded to six equivalent C4- atoms to form a mixture of corner and edge-sharing PaC6 octahedra. The corner-sharing octahedral tilt angles are 0°. All Pa–C bond lengths are 2.54 Å. C4- is bonded to six equivalent Pa4+ atoms to form a mixture of corner and edge-sharing CPa6 octahedra. The corner-sharing octahedral tilt angles are 0°.
DOI: 10.17188/1273940
title: Materials Data on CsSbCl6 by Materials Project

description: CsSbCl6 crystallizes in the monoclinic Cc space group. The structure is three-dimensional. Cs1+ is bonded to twelve Cl1- atoms to form CsCl12 cuboctahedra that share corners with four equivalent CsCl12 cuboctahedra, corners with two equivalent SbCl6 octahedra, edges with four equivalent CsCl12 cuboctahedra, edges with two equivalent SbCl6 octahedra, and faces with two equivalent SbCl6 octahedra. The corner-sharing octahedra tilt angles range from 47–48°. There are a spread of Cs–Cl bond distances ranging from 3.80–3.94 Å. Sb5+ is bonded to six Cl1- atoms to form SbCl6 octahedra that share corners with two equivalent CsCl12 cuboctahedra, edges with two equivalent CsCl12 cuboctahedra, and faces with two equivalent CsCl12 cuboctahedra. There are two shorter (2.41 Å) and four longer (2.42 Å) Sb–Cl bond lengths. There are six inequivalent Cl1- sites. In the first Cl1- site, Cl1- is bonded in a distorted single-bond geometry to two equivalent Cs1+ and one Sb5+ atom. In the second Cl1- site, Cl1- is bonded in a distorted single-bond geometry to two equivalent Cs1+ and one Sb5+ atom. In the third Cl1- site, Cl1- is bonded in a distorted single-bond geometry to two equivalent Cs1+ and one Sb5+ atom. In the fourth Cl1- site, Cl1- is bonded in a distorted single-bond geometry to two equivalent Cs1+ and one Sb5+ atom. In the fifth Cl1- site, Cl1- is bonded in a distorted single-bond geometry to two equivalent Cs1+ and one Sb5+ atom. In the sixth Cl1- site, Cl1- is bonded in a distorted single-bond geometry to two equivalent Cs1+ and one Sb5+ atom.
DOI: 10.17188/1273941
title: Materials Data on Hf2Te by Materials Project

description: Hf2Te crystallizes in the monoclinic C2/m space group. The structure is two-dimensional and consists of one Hf2Te sheet oriented in the (0, 0, 1) direction. there are four inequivalent Hf sites. In the first Hf site, Hf is bonded in a 2-coordinate geometry to two Te atoms. There are one shorter (3.13 Å) and one longer (3.16 Å) Hf–Te bond lengths. In the second Hf site, Hf is bonded to five Te atoms to form distorted edge-sharing HfTe5 trigonal bipyramids. All Hf–Te bond lengths are 2.92 Å. In the third Hf site, Hf is bonded in a 3-coordinate geometry to three Te atoms. There are two shorter (2.94 Å) and one longer (3.04 Å) Hf–Te bond lengths. In the fourth Hf site, Hf is bonded in a 2-coordinate geometry to two equivalent Te atoms. Both Hf–Te bond lengths are 2.95 Å. There are two inequivalent Te sites. In the first Te site, Te is bonded in a 6-coordinate geometry to six Hf atoms. In the second Te site, Te is bonded in a distorted hexagonal planar geometry to six Hf atoms.
DOI: 10.17188/1273942
title: Materials Data on Nd17Au36 by Materials Project

description: Nd17Au36 crystallizes in the tetragonal P4/nmm space group. The structure is three-dimensional. there are seven inequivalent Nd+2.12+ sites. In the first Nd+2.12+ site, Nd+2.12+ is bonded in a 7-coordinate geometry to thirteen Au1- atoms. There are a spread of Nd–Au bond distances ranging from 3.12–3.65 Å. In the second Nd+2.12+ site, Nd+2.12+ is bonded in a 8-coordinate geometry to twelve Au1- atoms. There are a spread of Nd–Au bond distances ranging from 3.10–3.86 Å. In the third Nd+2.12+ site, Nd+2.12+ is bonded in a 11-coordinate geometry to eleven Au1- atoms. There are a spread of Nd–Au bond distances ranging from 2.99–3.31 Å. In the fourth Nd+2.12+ site, Nd+2.12+ is bonded in a 12-coordinate geometry to twelve Au1- atoms. There are a spread of Nd–Au bond distances ranging from 3.16–3.45 Å. In the fifth Nd+2.12+ site, Nd+2.12+ is bonded in a distorted cuboctahedral geometry to twelve Au1- atoms. There are a spread of Nd–Au bond distances ranging from 3.16–3.39 Å. In the sixth Nd+2.12+ site, Nd+2.12+ is bonded in a 12-coordinate geometry to twelve Au1- atoms. There are four shorter (3.09 Å) and eight longer (3.26 Å) Nd–Au bond lengths. In the seventh Nd+2.12+ site, Nd+2.12+ is bonded in a 8-coordinate geometry to eight Au1- atoms. There are a spread of Nd–Au bond distances ranging from 3.10–3.53 Å. There are seven inequivalent Au1- sites. In the first Au1- site, Au1- is bonded in a 11-coordinate geometry to six Nd+2.12+ and five Au1- atoms. There are a spread of Au–Au bond distances ranging from 2.82–3.34 Å. In the second Au1- site, Au1- is bonded in a 9-coordinate geometry to five Nd+2.12+ and four Au1- atoms. There are a spread of Au–Au bond distances ranging from 2.82–2.96 Å. In the third Au1- site, Au1- is bonded in a 4-coordinate geometry to six Nd+2.12+ and five Au1- atoms. There are a spread of Au–Au bond distances ranging from 2.81–3.10 Å. In the fourth Au1- site, Au1- is bonded in a 10-coordinate geometry to five Nd+2.12+ and five Au1- atoms. The Au–Au bond length is 3.01 Å. In the fifth Au1- site, Au1- is bonded in a 9-coordinate geometry to six Nd+2.12+ and three Au1- atoms. Both Au–Au bond lengths are 2.97 Å. In the sixth Au1- site, Au1- is bonded in a 10-coordinate geometry to five Nd+2.12+ and five Au1- atoms. In the seventh Au1- site, Au1- is bonded in a 5-coordinate geometry to five Nd+2.12+ and five Au1- atoms. The Au–Au bond length is 2.85 Å.
DOI: 10.17188/1273943
title: Materials Data on DyInRh by Materials Project

description: DyRhIn crystallizes in the hexagonal P-62m space group. The structure is three-dimensional. Dy is bonded in a 11-coordinate geometry to five Rh and six equivalent In atoms. There are four shorter (3.02 Å) and one longer (3.07 Å) Dy–Rh bond lengths. There are two shorter (3.21 Å) and four longer (3.33 Å) Dy–In bond lengths. There are two inequivalent Rh sites. In the first Rh site, Rh is bonded in a 9-coordinate geometry to three equivalent Dy and six equivalent In atoms. All Rh–In bond lengths are 2.76 Å. In the second Rh site, Rh is bonded in a 9-coordinate geometry to six equivalent Dy and three equivalent In atoms. All Rh–In bond lengths are 2.85 Å. In is bonded in a 4-coordinate geometry to six equivalent Dy and four Rh atoms.
DOI: 10.17188/1273944
title: Materials Data on DyAl3 by Materials Project

description: Al3Dy is Uranium Silicide structured and crystallizes in the cubic Pm-3m space group. The structure is three-dimensional. Dy is bonded to twelve equivalent Al atoms to form DyAl12 cuboctahedra that share corners with twelve equivalent DyAl12 cuboctahedra, edges with twenty-four equivalent AlDy4Al8 cuboctahedra, faces with six equivalent DyAl12 cuboctahedra, and faces with twelve equivalent AlDy4Al8 cuboctahedra. All Dy–Al bond lengths are 3.01 Å. Al is bonded to four equivalent Dy and eight equivalent Al atoms to form distorted AlDy4Al8 cuboctahedra that share corners with twelve equivalent AlDy4Al8 cuboctahedra, edges with eight equivalent DyAl12 cuboctahedra, edges with sixteen equivalent AlDy4Al8 cuboctahedra, faces with four equivalent DyAl12 cuboctahedra, and faces with fourteen equivalent AlDy4Al8 cuboctahedra. All Al–Al bond lengths are 3.01 Å.