cometadata/datacite-titles-descriptions-related-identifiers huggingface dataset:
DOI: 10.17188/1310781
title: Materials Data on YAgHg2 by Materials Project

description: YAgHg2 is Heusler structured and crystallizes in the cubic Fm-3m space group. The structure is three-dimensional. Y is bonded in a distorted body-centered cubic geometry to six equivalent Ag and eight equivalent Hg atoms. All Y–Ag bond lengths are 3.56 Å. All Y–Hg bond lengths are 3.09 Å. Ag is bonded in a 8-coordinate geometry to six equivalent Y and eight equivalent Hg atoms. All Ag–Hg bond lengths are 3.09 Å. Hg is bonded in a body-centered cubic geometry to four equivalent Y and four equivalent Ag atoms.
DOI: 10.17188/1310782
title: Materials Data on YCdAg2 by Materials Project

description: YAg2Cd is Heusler structured and crystallizes in the cubic Fm-3m space group. The structure is three-dimensional. Y is bonded in a body-centered cubic geometry to eight equivalent Ag atoms. All Y–Ag bond lengths are 3.04 Å. Ag is bonded in a body-centered cubic geometry to four equivalent Y and four equivalent Cd atoms. All Ag–Cd bond lengths are 3.04 Å. Cd is bonded in a distorted body-centered cubic geometry to eight equivalent Ag atoms.
DOI: 10.17188/1310783
title: Materials Data on YAlAg2 by Materials Project

description: YAg2Al is Heusler structured and crystallizes in the cubic Fm-3m space group. The structure is three-dimensional. Y is bonded in a body-centered cubic geometry to eight equivalent Ag atoms. All Y–Ag bond lengths are 2.97 Å. Ag is bonded in a body-centered cubic geometry to four equivalent Y and four equivalent Al atoms. All Ag–Al bond lengths are 2.97 Å. Al is bonded in a distorted body-centered cubic geometry to eight equivalent Ag atoms.
DOI: 10.17188/1310784
title: Materials Data on Lu2InAg by Materials Project

description: Lu2AgIn is Heusler structured and crystallizes in the cubic Fm-3m space group. The structure is three-dimensional. Lu is bonded in a body-centered cubic geometry to four equivalent Ag and four equivalent In atoms. All Lu–Ag bond lengths are 3.15 Å. All Lu–In bond lengths are 3.15 Å. Ag is bonded in a body-centered cubic geometry to eight equivalent Lu atoms. In is bonded in a body-centered cubic geometry to eight equivalent Lu atoms.
DOI: 10.17188/1310785
title: Materials Data on VSiOs2 by Materials Project

description: VOs2Si is Heusler structured and crystallizes in the cubic Fm-3m space group. The structure is three-dimensional. V5+ is bonded in a body-centered cubic geometry to eight equivalent Os+0.50- atoms. All V–Os bond lengths are 2.59 Å. Os+0.50- is bonded in a body-centered cubic geometry to four equivalent V5+ and four equivalent Si4- atoms. All Os–Si bond lengths are 2.59 Å. Si4- is bonded in a distorted body-centered cubic geometry to eight equivalent Os+0.50- atoms.
DOI: 10.17188/1310787
title: Materials Data on VSiRu2 by Materials Project

description: Ru2VSi is Heusler structured and crystallizes in the cubic Fm-3m space group. The structure is three-dimensional. V is bonded in a body-centered cubic geometry to eight equivalent Ru atoms. All V–Ru bond lengths are 2.58 Å. Ru is bonded in a body-centered cubic geometry to four equivalent V and four equivalent Si atoms. All Ru–Si bond lengths are 2.58 Å. Si is bonded in a distorted body-centered cubic geometry to eight equivalent Ru atoms.
DOI: 10.17188/1310789
title: Materials Data on MnP2H2O7 (SG:15) 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: 10.17188/1310790
title: Materials Data on VCl4 by Materials Project

description: VCl4 crystallizes in the monoclinic P2 space group. The structure is zero-dimensional and consists of two VCl4 clusters. V4+ is bonded to five Cl1- atoms to form distorted edge-sharing VCl5 trigonal bipyramids. There are a spread of V–Cl bond distances ranging from 2.13–2.56 Å. There are four inequivalent Cl1- sites. In the first Cl1- site, Cl1- is bonded in an L-shaped geometry to two equivalent V4+ atoms. In the second Cl1- site, Cl1- is bonded in a single-bond geometry to one V4+ atom. In the third Cl1- site, Cl1- is bonded in a single-bond geometry to one V4+ atom. In the fourth Cl1- site, Cl1- is bonded in a single-bond geometry to one V4+ atom.
DOI: 10.17188/1310791
title: Materials Data on YMgCd2 by Materials Project

description: MgYCd2 is Heusler structured and crystallizes in the cubic Fm-3m space group. The structure is three-dimensional. Mg is bonded in a body-centered cubic geometry to eight equivalent Cd atoms. All Mg–Cd bond lengths are 3.13 Å. Y is bonded in a body-centered cubic geometry to eight equivalent Cd atoms. All Y–Cd bond lengths are 3.13 Å. Cd is bonded in a body-centered cubic geometry to four equivalent Mg and four equivalent Y atoms.
DOI: 10.17188/1310792
title: Materials Data on YSbPd2 by Materials Project

description: YPd2Sb is Heusler structured and crystallizes in the cubic Fm-3m space group. The structure is three-dimensional. Y is bonded in a distorted body-centered cubic geometry to eight equivalent Pd and six equivalent Sb atoms. All Y–Pd bond lengths are 2.96 Å. All Y–Sb bond lengths are 3.41 Å. Pd is bonded in a body-centered cubic geometry to four equivalent Y and four equivalent Sb atoms. All Pd–Sb bond lengths are 2.96 Å. Sb is bonded in a 8-coordinate geometry to six equivalent Y and eight equivalent Pd atoms.
DOI: 10.17188/1310793
title: Materials Data on YSnAu2 by Materials Project

description: YAu2Sn is Heusler structured and crystallizes in the cubic Fm-3m space group. The structure is three-dimensional. Y is bonded in a body-centered cubic geometry to eight equivalent Au atoms. All Y–Au bond lengths are 3.06 Å. Au is bonded in a body-centered cubic geometry to four equivalent Y and four equivalent Sn atoms. All Au–Sn bond lengths are 3.06 Å. Sn is bonded in a distorted body-centered cubic geometry to eight equivalent Au atoms.
DOI: 10.17188/1310794
title: Materials Data on YMgZn2 by Materials Project

description: MgZn2Y is Heusler structured and crystallizes in the cubic Fm-3m space group. The structure is three-dimensional. Mg is bonded in a body-centered cubic geometry to eight equivalent Zn atoms. All Mg–Zn bond lengths are 2.96 Å. Y is bonded in a body-centered cubic geometry to eight equivalent Zn atoms. All Y–Zn bond lengths are 2.96 Å. Zn is bonded in a body-centered cubic geometry to four equivalent Mg and four equivalent Y atoms.
DOI: 10.17188/1310795
title: Materials Data on YPaRu2 by Materials Project

description: PaYRu2 is Heusler structured and crystallizes in the cubic Fm-3m space group. The structure is three-dimensional. Pa is bonded in a body-centered cubic geometry to eight equivalent Ru atoms. All Pa–Ru bond lengths are 2.97 Å. Y is bonded in a body-centered cubic geometry to eight equivalent Ru atoms. All Y–Ru bond lengths are 2.97 Å. Ru is bonded in a body-centered cubic geometry to four equivalent Pa and four equivalent Y atoms.
DOI: 10.17188/1310796
title: Materials Data on YZnRh2 by Materials Project

description: YRh2Zn is Heusler structured and crystallizes in the cubic Fm-3m space group. The structure is three-dimensional. Y is bonded in a body-centered cubic geometry to eight equivalent Rh atoms. All Y–Rh bond lengths are 2.81 Å. Rh is bonded in a body-centered cubic geometry to four equivalent Y and four equivalent Zn atoms. All Rh–Zn bond lengths are 2.81 Å. Zn is bonded in a body-centered cubic geometry to eight equivalent Rh atoms.
DOI: 10.17188/1310797
title: Materials Data on YSnRh2 by Materials Project

description: YRh2Sn is Heusler structured and crystallizes in the cubic Fm-3m space group. The structure is three-dimensional. Y is bonded in a body-centered cubic geometry to eight equivalent Rh and six equivalent Sn atoms. All Y–Rh bond lengths are 2.89 Å. All Y–Sn bond lengths are 3.33 Å. Rh is bonded in a body-centered cubic geometry to four equivalent Y and four equivalent Sn atoms. All Rh–Sn bond lengths are 2.89 Å. Sn is bonded in a distorted body-centered cubic geometry to six equivalent Y and eight equivalent Rh atoms.
DOI: 10.17188/1310798
title: Materials Data on YTaRu2 by Materials Project

description: YTaRu2 is Heusler structured and crystallizes in the cubic Fm-3m space group. The structure is three-dimensional. Y is bonded in a body-centered cubic geometry to eight equivalent Ru atoms. All Y–Ru bond lengths are 2.84 Å. Ta is bonded in a body-centered cubic geometry to eight equivalent Ru atoms. All Ta–Ru bond lengths are 2.84 Å. Ru is bonded in a body-centered cubic geometry to four equivalent Y and four equivalent Ta atoms.
DOI: 10.17188/1310799
title: Materials Data on YCdPd2 by Materials Project

description: YPd2Cd is Heusler structured and crystallizes in the cubic Fm-3m space group. The structure is three-dimensional. Y is bonded in a body-centered cubic geometry to eight equivalent Pd atoms. All Y–Pd bond lengths are 2.95 Å. Pd is bonded in a body-centered cubic geometry to four equivalent Y and four equivalent Cd atoms. All Pd–Cd bond lengths are 2.95 Å. Cd is bonded in a distorted body-centered cubic geometry to eight equivalent Pd atoms.
DOI: 10.17188/1310800
title: Materials Data on LuI3 by Materials Project

description: LuI3 crystallizes in the hexagonal P6_3/mmc space group. The structure is one-dimensional and consists of two LuI3 ribbons oriented in the (0, 0, 1) direction. Lu3+ is bonded to six equivalent I1- atoms to form distorted face-sharing LuI6 pentagonal pyramids. All Lu–I bond lengths are 3.01 Å. I1- is bonded in an L-shaped geometry to two equivalent Lu3+ atoms.
DOI: 10.17188/1310801
title: Materials Data on YCdAu2 by Materials Project

description: YAu2Cd is Heusler structured and crystallizes in the cubic Fm-3m space group. The structure is three-dimensional. Y is bonded in a body-centered cubic geometry to eight equivalent Au atoms. All Y–Au bond lengths are 3.03 Å. Au is bonded in a body-centered cubic geometry to four equivalent Y and four equivalent Cd atoms. All Au–Cd bond lengths are 3.03 Å. Cd is bonded in a body-centered cubic geometry to eight equivalent Au atoms.
DOI: 10.17188/1310802
title: Materials Data on TiMnRh2 by Materials Project

description: TiMnRh2 is Heusler structured and crystallizes in the cubic Fm-3m space group. The structure is three-dimensional. Ti is bonded in a body-centered cubic geometry to eight equivalent Rh atoms. All Ti–Rh bond lengths are 2.67 Å. Mn is bonded in a body-centered cubic geometry to eight equivalent Rh atoms. All Mn–Rh bond lengths are 2.67 Å. Rh is bonded in a body-centered cubic geometry to four equivalent Ti and four equivalent Mn atoms.
DOI: 10.17188/1310803
title: Materials Data on YCdPt2 by Materials Project

description: YPt2Cd is Heusler structured and crystallizes in the cubic Fm-3m space group. The structure is three-dimensional. Y is bonded in a body-centered cubic geometry to eight equivalent Pt atoms. All Y–Pt bond lengths are 2.95 Å. Pt is bonded in a body-centered cubic geometry to four equivalent Y and four equivalent Cd atoms. All Pt–Cd bond lengths are 2.95 Å. Cd is bonded in a body-centered cubic geometry to eight equivalent Pt atoms.
DOI: 10.17188/1310804
title: Materials Data on YCdHg2 by Materials Project

description: YHg2Cd is Heusler structured and crystallizes in the cubic Fm-3m space group. The structure is three-dimensional. Y is bonded in a body-centered cubic geometry to eight equivalent Hg atoms. All Y–Hg bond lengths are 3.13 Å. Hg is bonded in a body-centered cubic geometry to four equivalent Y and four equivalent Cd atoms. All Hg–Cd bond lengths are 3.13 Å. Cd is bonded in a distorted body-centered cubic geometry to eight equivalent Hg atoms.
DOI: 10.17188/1310805
title: Materials Data on TmSb(PbO3)2 by Materials Project

description: TmSb(PbO3)2 is Orthorhombic Perovskite-derived structured and crystallizes in the monoclinic C2/c space group. The structure is three-dimensional. Tm3+ is bonded to six O2- atoms to form TmO6 octahedra that share corners with six equivalent SbO6 octahedra. The corner-sharing octahedra tilt angles range from 16–25°. There are a spread of Tm–O bond distances ranging from 2.22–2.24 Å. Pb2+ is bonded in a 7-coordinate geometry to seven O2- atoms. There are a spread of Pb–O bond distances ranging from 2.53–3.03 Å. Sb5+ is bonded to six O2- atoms to form SbO6 octahedra that share corners with six equivalent TmO6 octahedra. The corner-sharing octahedra tilt angles range from 16–25°. There are a spread of Sb–O bond distances ranging from 2.01–2.03 Å. There are three inequivalent O2- sites. In the first O2- site, O2- is bonded in a 2-coordinate geometry to one Tm3+, three equivalent Pb2+, and one Sb5+ atom. In the second O2- site, O2- is bonded in a 2-coordinate geometry to one Tm3+, two equivalent Pb2+, and one Sb5+ atom. In the third O2- site, O2- is bonded in a 2-coordinate geometry to one Tm3+, two equivalent Pb2+, and one Sb5+ atom.
DOI: 10.17188/1310806
title: Materials Data on YAl3 by Materials Project

description: Al3Y crystallizes in the hexagonal P6_3/mmc space group. The structure is three-dimensional. Y is bonded to twelve equivalent Al atoms to form a mixture of distorted face and corner-sharing YAl12 cuboctahedra. There are six shorter (3.08 Å) and six longer (3.14 Å) Y–Al bond lengths. Al is bonded in a 10-coordinate geometry to four equivalent Y and six equivalent Al atoms. There are two shorter (2.76 Å) and four longer (2.81 Å) Al–Al bond lengths.
DOI: 10.17188/1310807
title: Materials Data on Ba5Cd2Sb5F by Materials Project

description: Ba5Cd2Sb5F crystallizes in the orthorhombic Cmcm space group. The structure is three-dimensional. there are four inequivalent Ba2+ sites. In the first Ba2+ site, Ba2+ is bonded to six Sb+2.60- atoms to form BaSb6 octahedra that share edges with two equivalent BaSb6 octahedra and edges with four equivalent CdSb4 tetrahedra. There are two shorter (3.50 Å) and four longer (3.51 Å) Ba–Sb bond lengths. In the second Ba2+ site, Ba2+ is bonded in a bent 120 degrees geometry to six Sb+2.60- and two equivalent F1- atoms. There are four shorter (3.79 Å) and two longer (3.94 Å) Ba–Sb bond lengths. Both Ba–F bond lengths are 2.81 Å. In the third Ba2+ site, Ba2+ is bonded in a distorted hexagonal planar geometry to six Sb+2.60- atoms. There are two shorter (3.54 Å) and four longer (3.60 Å) Ba–Sb bond lengths. In the fourth Ba2+ site, Ba2+ is bonded in a distorted single-bond geometry to five Sb+2.60- and one F1- atom. There are a spread of Ba–Sb bond distances ranging from 3.50–3.59 Å. The Ba–F bond length is 2.71 Å. Cd2+ is bonded to four Sb+2.60- atoms to form CdSb4 tetrahedra that share corners with three equivalent CdSb4 tetrahedra and edges with two equivalent BaSb6 octahedra. There are a spread of Cd–Sb bond distances ranging from 2.96–3.11 Å. There are three inequivalent Sb+2.60- sites. In the first Sb+2.60- site, Sb+2.60- is bonded in a 8-coordinate geometry to six Ba2+ and two equivalent Cd2+ atoms. In the second Sb+2.60- site, Sb+2.60- is bonded in a 7-coordinate geometry to five Ba2+ and two equivalent Cd2+ atoms. In the third Sb+2.60- site, Sb+2.60- is bonded in a 8-coordinate geometry to six Ba2+, one Cd2+, and one Sb+2.60- atom. The Sb–Sb bond length is 2.85 Å. F1- is bonded to four Ba2+ atoms to form corner-sharing FBa4 tetrahedra.
DOI: 10.17188/1310808
title: Materials Data on Ti2NiIr by Materials Project

description: Ti2NiIr is Heusler structured and crystallizes in the cubic Fm-3m space group. The structure is three-dimensional. Ti is bonded in a body-centered cubic geometry to four equivalent Ir and four equivalent Ni atoms. All Ti–Ir bond lengths are 2.65 Å. All Ti–Ni bond lengths are 2.65 Å. Ir is bonded in a body-centered cubic geometry to eight equivalent Ti atoms. Ni is bonded in a body-centered cubic geometry to eight equivalent Ti atoms.
DOI: 10.17188/1310809
title: Materials Data on YThRu2 by Materials Project

description: ThYRu2 is Heusler structured and crystallizes in the cubic Fm-3m space group. The structure is three-dimensional. Th is bonded in a body-centered cubic geometry to eight equivalent Ru atoms. All Th–Ru bond lengths are 3.02 Å. Y is bonded in a body-centered cubic geometry to eight equivalent Ru atoms. All Y–Ru bond lengths are 3.02 Å. Ru is bonded in a body-centered cubic geometry to four equivalent Th and four equivalent Y atoms.
DOI: 10.17188/1310810
title: Materials Data on TiMn2Al by Materials Project

description: TiMn2Al is Heusler structured and crystallizes in the cubic Fm-3m space group. The structure is three-dimensional. Ti is bonded in a distorted body-centered cubic geometry to eight equivalent Mn and six equivalent Al atoms. All Ti–Mn bond lengths are 2.58 Å. All Ti–Al bond lengths are 2.98 Å. Mn is bonded in a body-centered cubic geometry to four equivalent Ti and four equivalent Al atoms. All Mn–Al bond lengths are 2.58 Å. Al is bonded in a distorted body-centered cubic geometry to six equivalent Ti and eight equivalent Mn atoms.
DOI: 10.17188/1310811
title: Materials Data on BaMgTe2O7 by Materials Project

description: BaMgTe2O7 crystallizes in the orthorhombic Ama2 space group. The structure is three-dimensional. Ba2+ is bonded in a 10-coordinate geometry to ten O2- atoms. There are a spread of Ba–O bond distances ranging from 2.83–3.06 Å. Mg2+ is bonded to five O2- atoms to form distorted MgO5 trigonal bipyramids that share corners with three equivalent TeO6 octahedra. The corner-sharing octahedra tilt angles range from 55–60°. There are a spread of Mg–O bond distances ranging from 2.03–2.08 Å. There are two inequivalent Te5+ sites. In the first Te5+ site, Te5+ is bonded to six O2- atoms to form TeO6 octahedra that share corners with two equivalent TeO6 octahedra and corners with three equivalent MgO5 trigonal bipyramids. The corner-sharing octahedral tilt angles are 50°. There are a spread of Te–O bond distances ranging from 1.90–2.04 Å. In the second Te5+ site, Te5+ is bonded in a rectangular see-saw-like geometry to four O2- atoms. There are a spread of Te–O bond distances ranging from 1.88–2.34 Å. There are five inequivalent O2- sites. In the first O2- site, O2- is bonded in a distorted bent 120 degrees geometry to two equivalent Ba2+ and two Te5+ atoms. In the second O2- site, O2- is bonded in a distorted bent 120 degrees geometry to two equivalent Ba2+, one Mg2+, and one Te5+ atom. In the third O2- site, O2- is bonded in a distorted trigonal planar geometry to one Mg2+ and two Te5+ atoms. In the fourth O2- site, O2- is bonded in a distorted bent 120 degrees geometry to two equivalent Ba2+, one Mg2+, and one Te5+ atom. In the fifth O2- site, O2- is bonded in a bent 120 degrees geometry to two equivalent Te5+ atoms.
DOI: 10.17188/1310812
title: Materials Data on Ti2ReOs by Materials Project

description: Ti2ReOs is Heusler structured and crystallizes in the cubic Fm-3m space group. The structure is three-dimensional. Ti is bonded in a body-centered cubic geometry to four equivalent Re and four equivalent Os atoms. All Ti–Re bond lengths are 2.69 Å. All Ti–Os bond lengths are 2.69 Å. Re is bonded in a distorted body-centered cubic geometry to eight equivalent Ti atoms. Os is bonded in a body-centered cubic geometry to eight equivalent Ti atoms.
DOI: 10.17188/1310813
title: Materials Data on YBr2 by Materials Project

description: YBr2 is zeta iron carbide structured and crystallizes in the tetragonal P4_2/mnm space group. The structure is three-dimensional. Y is bonded to six equivalent Br atoms to form a mixture of corner and edge-sharing YBr6 octahedra. The corner-sharing octahedral tilt angles are 39°. There are four shorter (2.90 Å) and two longer (2.92 Å) Y–Br bond lengths. Br is bonded in a 3-coordinate geometry to three equivalent Y atoms.
DOI: 10.17188/1310814
title: Materials Data on Ac2ZnGa by Materials Project

description: Ac2ZnGa is Heusler structured and crystallizes in the cubic Fm-3m space group. The structure is three-dimensional. Ac is bonded in a body-centered cubic geometry to four equivalent Zn and four equivalent Ga atoms. All Ac–Zn bond lengths are 3.40 Å. All Ac–Ga bond lengths are 3.40 Å. Zn is bonded in a body-centered cubic geometry to eight equivalent Ac atoms. Ga is bonded in a body-centered cubic geometry to eight equivalent Ac atoms.
DOI: 10.17188/1310815
title: Materials Data on YbZrRh2 by Materials Project

description: YbZrRh2 is Heusler structured and crystallizes in the cubic Fm-3m space group. The structure is three-dimensional. Yb is bonded in a body-centered cubic geometry to eight equivalent Rh atoms. All Yb–Rh bond lengths are 2.87 Å. Zr is bonded in a body-centered cubic geometry to eight equivalent Rh atoms. All Zr–Rh bond lengths are 2.87 Å. Rh is bonded in a body-centered cubic geometry to four equivalent Yb and four equivalent Zr atoms.
DOI: 10.17188/1310816
title: Materials Data on TiMnCo2 by Materials Project

description: TiMnCo2 is Heusler structured and crystallizes in the cubic Fm-3m space group. The structure is three-dimensional. Ti is bonded in a body-centered cubic geometry to eight equivalent Co atoms. All Ti–Co bond lengths are 2.53 Å. Mn is bonded in a body-centered cubic geometry to eight equivalent Co atoms. All Mn–Co bond lengths are 2.53 Å. Co is bonded in a body-centered cubic geometry to four equivalent Ti and four equivalent Mn atoms.
DOI: 10.17188/1310817
title: Materials Data on Ti2RePd by Materials Project

description: Ti2RePd is Heusler structured and crystallizes in the cubic Fm-3m space group. The structure is three-dimensional. Ti is bonded in a body-centered cubic geometry to four equivalent Re and four equivalent Pd atoms. All Ti–Re bond lengths are 2.72 Å. All Ti–Pd bond lengths are 2.72 Å. Re is bonded in a distorted body-centered cubic geometry to eight equivalent Ti atoms. Pd is bonded in a body-centered cubic geometry to eight equivalent Ti atoms.
DOI: 10.17188/1310818
title: Materials Data on Pm2SiAu by Materials Project

description: Pm2AuSi is Heusler structured and crystallizes in the cubic Fm-3m space group. The structure is three-dimensional. Pm is bonded in a body-centered cubic geometry to four equivalent Au and four equivalent Si atoms. All Pm–Au bond lengths are 3.18 Å. All Pm–Si bond lengths are 3.18 Å. Au is bonded in a body-centered cubic geometry to eight equivalent Pm atoms. Si is bonded in a body-centered cubic geometry to eight equivalent Pm atoms.
DOI: 10.17188/1310819
title: Materials Data on Yb2AgBi by Materials Project

description: Yb2AgBi is Heusler structured and crystallizes in the cubic Fm-3m space group. The structure is three-dimensional. Yb is bonded in a body-centered cubic geometry to four equivalent Ag and four equivalent Bi atoms. All Yb–Ag bond lengths are 3.29 Å. All Yb–Bi bond lengths are 3.29 Å. Ag is bonded in a body-centered cubic geometry to eight equivalent Yb atoms. Bi is bonded in a body-centered cubic geometry to eight equivalent Yb atoms.
DOI: 10.17188/1310820
title: Materials Data on Pm2CuSi by Materials Project

description: Pm2CuSi is Heusler structured and crystallizes in the cubic Fm-3m space group. The structure is three-dimensional. Pm is bonded in a body-centered cubic geometry to four equivalent Cu and four equivalent Si atoms. All Pm–Cu bond lengths are 3.10 Å. All Pm–Si bond lengths are 3.10 Å. Cu is bonded in a body-centered cubic geometry to eight equivalent Pm atoms. Si is bonded in a body-centered cubic geometry to eight equivalent Pm atoms.
DOI: 10.17188/1310821
title: Materials Data on TiInCo2 by Materials Project

description: TiCo2In is Heusler structured and crystallizes in the cubic Fm-3m space group. The structure is three-dimensional. Ti is bonded in a body-centered cubic geometry to eight equivalent Co atoms. All Ti–Co bond lengths are 2.60 Å. Co is bonded in a body-centered cubic geometry to four equivalent Ti and four equivalent In atoms. All Co–In bond lengths are 2.60 Å. In is bonded in a distorted body-centered cubic geometry to eight equivalent Co atoms.