cometadata/datacite-titles-descriptions-related-identifiers huggingface dataset:
DOI: 10.17188/1311142
title: Materials Data on Yb3Ni13B2 by Materials Project

description: Yb3Ni13B2 crystallizes in the hexagonal P6/mmm space group. The structure is three-dimensional. there are two inequivalent Yb sites. In the first Yb site, Yb is bonded in a 12-coordinate geometry to twelve equivalent Ni and six equivalent B atoms. All Yb–Ni bond lengths are 2.83 Å. All Yb–B bond lengths are 2.83 Å. In the second Yb site, Yb is bonded in a 6-coordinate geometry to eighteen Ni atoms. There are a spread of Yb–Ni bond distances ranging from 2.83–3.23 Å. There are three inequivalent Ni sites. In the first Ni site, Ni is bonded in a distorted L-shaped geometry to four Yb, two equivalent Ni, and two equivalent B atoms. Both Ni–Ni bond lengths are 2.45 Å. Both Ni–B bond lengths are 2.00 Å. In the second Ni site, Ni is bonded in a 12-coordinate geometry to three equivalent Yb and six Ni atoms. All Ni–Ni bond lengths are 2.41 Å. In the third Ni site, Ni is bonded to four equivalent Yb and eight Ni atoms to form a mixture of edge, face, and corner-sharing NiYb4Ni8 cuboctahedra. All Ni–Ni bond lengths are 2.45 Å. B is bonded in a 6-coordinate geometry to three equivalent Yb and six equivalent Ni atoms.
DOI: 10.17188/1311143
title: Materials Data on Li2CeTl by Materials Project

description: Li2CeTl is Heusler structured and crystallizes in the cubic Fm-3m space group. The structure is three-dimensional. Li is bonded in a body-centered cubic geometry to four equivalent Ce and four equivalent Tl atoms. All Li–Ce bond lengths are 3.05 Å. All Li–Tl bond lengths are 3.05 Å. Ce is bonded in a distorted body-centered cubic geometry to eight equivalent Li and six equivalent Tl atoms. All Ce–Tl bond lengths are 3.53 Å. Tl is bonded in a body-centered cubic geometry to eight equivalent Li and six equivalent Ce atoms.
DOI: 10.17188/1311144
title: Materials Data on KTm2Cu3Se5 by Materials Project

description: KTm2Cu3Se5 crystallizes in the orthorhombic Cmcm space group. The structure is three-dimensional. K1+ is bonded in a 8-coordinate geometry to eight Se2- atoms. There are a spread of K–Se bond distances ranging from 3.34–3.43 Å. Tm3+ is bonded to six Se2- atoms to form TmSe6 octahedra that share a cornercorner with one TmSe6 octahedra, corners with four equivalent CuSe4 tetrahedra, edges with four equivalent TmSe6 octahedra, and edges with five CuSe4 tetrahedra. The corner-sharing octahedral tilt angles are 38°. There are a spread of Tm–Se bond distances ranging from 2.77–2.91 Å. There are two inequivalent Cu1+ sites. In the first Cu1+ site, Cu1+ is bonded to four Se2- atoms to form CuSe4 tetrahedra that share corners with four equivalent TmSe6 octahedra, corners with four CuSe4 tetrahedra, edges with three equivalent TmSe6 octahedra, and an edgeedge with one CuSe4 tetrahedra. The corner-sharing octahedra tilt angles range from 19–64°. There are a spread of Cu–Se bond distances ranging from 2.46–2.61 Å. In the second Cu1+ site, Cu1+ is bonded to four Se2- atoms to form CuSe4 tetrahedra that share corners with six CuSe4 tetrahedra and edges with four equivalent TmSe6 octahedra. There are two shorter (2.42 Å) and two longer (2.62 Å) Cu–Se bond lengths. There are three inequivalent Se2- sites. In the first Se2- site, Se2- is bonded in a 6-coordinate geometry to two equivalent K1+, two equivalent Tm3+, and two equivalent Cu1+ atoms. In the second Se2- site, Se2- is bonded in a 7-coordinate geometry to two equivalent K1+, two equivalent Tm3+, and three Cu1+ atoms. In the third Se2- site, Se2- is bonded to one K1+, three equivalent Tm3+, and two equivalent Cu1+ atoms to form a mixture of distorted edge and corner-sharing SeKTm3Cu2 octahedra. The corner-sharing octahedral tilt angles are 54°.
DOI: 10.17188/1311145
title: Materials Data on PHPb2F10 by Materials Project

description: Pb2F2(HF2)(PF6) crystallizes in the triclinic P-1 space group. The structure is two-dimensional and consists of one PF6 cluster and one Pb2HF4 sheet oriented in the (0, 0, 1) direction. In the PF6 cluster, P5+ is bonded in an octahedral geometry to six F1- atoms. All P–F bond lengths are 1.64 Å. There are three inequivalent F1- sites. In the first F1- site, F1- is bonded in a single-bond geometry to one P5+ atom. In the second F1- site, F1- is bonded in a single-bond geometry to one P5+ atom. In the third F1- site, F1- is bonded in a single-bond geometry to one P5+ atom. In the Pb2HF4 sheet, Pb2+ is bonded in a 5-coordinate geometry to five F1- atoms. There are a spread of Pb–F bond distances ranging from 2.35–2.63 Å. H1+ is bonded in a linear geometry to two equivalent F1- atoms. Both H–F bond lengths are 1.15 Å. There are two inequivalent F1- sites. In the first F1- site, F1- is bonded in a distorted trigonal planar geometry to three equivalent Pb2+ atoms. In the second F1- site, F1- is bonded in a single-bond geometry to two equivalent Pb2+ and one H1+ atom.
DOI: 10.17188/1311146
title: Materials Data on TmNi2Sn by Materials Project

description: TmNi2Sn is Heusler structured and crystallizes in the cubic Fm-3m space group. The structure is three-dimensional. Tm is bonded in a distorted body-centered cubic geometry to eight equivalent Ni and six equivalent Sn atoms. All Tm–Ni bond lengths are 2.79 Å. All Tm–Sn bond lengths are 3.22 Å. Ni is bonded in a body-centered cubic geometry to four equivalent Tm and four equivalent Sn atoms. All Ni–Sn bond lengths are 2.79 Å. Sn is bonded in a 8-coordinate geometry to six equivalent Tm and eight equivalent Ni atoms.
DOI: 10.17188/1311147
title: Materials Data on KNd(SO4)2 (SG: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: 10.17188/1311148
title: Materials Data on LuCdAg2 by Materials Project

description: LuAg2Cd 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 eight equivalent Ag atoms. All Lu–Ag bond lengths are 3.00 Å. Ag is bonded in a body-centered cubic geometry to four equivalent Lu and four equivalent Cd atoms. All Ag–Cd bond lengths are 3.00 Å. Cd is bonded in a distorted body-centered cubic geometry to eight equivalent Ag atoms.
DOI: 10.17188/1311149
title: Materials Data on YbPrHg2 by Materials Project

description: YbPrHg2 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 Hg atoms. All Yb–Hg bond lengths are 3.30 Å. Pr is bonded in a body-centered cubic geometry to eight equivalent Hg atoms. All Pr–Hg bond lengths are 3.30 Å. Hg is bonded in a body-centered cubic geometry to four equivalent Yb and four equivalent Pr atoms.
DOI: 10.17188/1311150
title: Materials Data on AcMgCd2 by Materials Project

description: MgAcCd2 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 3.32 Å. Ac is bonded in a body-centered cubic geometry to eight equivalent Cd atoms. All Ac–Cd bond lengths are 3.32 Å. Cd is bonded in a body-centered cubic geometry to four equivalent Mg and four equivalent Ac atoms.
DOI: 10.17188/1311151
title: Materials Data on CsAgPSe3 by Materials Project

description: CsAgPSe3 crystallizes in the monoclinic P2_1/c space group. The structure is three-dimensional. Cs1+ is bonded in a 9-coordinate geometry to nine Se2- atoms. There are a spread of Cs–Se bond distances ranging from 3.79–4.18 Å. Ag1+ is bonded in a distorted trigonal planar geometry to three Se2- atoms. There are a spread of Ag–Se bond distances ranging from 2.59–2.66 Å. P4+ is bonded in a trigonal non-coplanar geometry to three Se2- atoms. There are a spread of P–Se bond distances ranging from 2.20–2.23 Å. There are three inequivalent Se2- sites. In the first Se2- site, Se2- is bonded in a distorted L-shaped geometry to three equivalent Cs1+, one Ag1+, and one P4+ atom. In the second Se2- site, Se2- is bonded in a 2-coordinate geometry to three equivalent Cs1+, one Ag1+, and one P4+ atom. In the third Se2- site, Se2- is bonded in a 2-coordinate geometry to three equivalent Cs1+, one Ag1+, and one P4+ atom.
DOI: 10.17188/1311152
title: Materials Data on TmMgHg2 by Materials Project

description: MgTmHg2 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 Hg atoms. All Mg–Hg bond lengths are 3.09 Å. Tm is bonded in a body-centered cubic geometry to eight equivalent Hg atoms. All Tm–Hg bond lengths are 3.09 Å. Hg is bonded in a body-centered cubic geometry to four equivalent Mg and four equivalent Tm atoms.
DOI: 10.17188/1311153
title: Materials Data on TmCdPd2 by Materials Project

description: TmPd2Cd is Heusler structured and crystallizes in the cubic Fm-3m space group. The structure is three-dimensional. Tm is bonded in a body-centered cubic geometry to eight equivalent Pd atoms. All Tm–Pd bond lengths are 2.92 Å. Pd is bonded in a body-centered cubic geometry to four equivalent Tm and four equivalent Cd atoms. All Pd–Cd bond lengths are 2.92 Å. Cd is bonded in a distorted body-centered cubic geometry to eight equivalent Pd atoms.
DOI: 10.17188/1311154
title: Materials Data on TmCdHg2 by Materials Project

description: TmHg2Cd is Heusler structured and crystallizes in the cubic Fm-3m space group. The structure is three-dimensional. Tm is bonded in a body-centered cubic geometry to eight equivalent Hg atoms. All Tm–Hg bond lengths are 3.12 Å. Hg is bonded in a body-centered cubic geometry to four equivalent Tm and four equivalent Cd atoms. All Hg–Cd bond lengths are 3.12 Å. Cd is bonded in a distorted body-centered cubic geometry to eight equivalent Hg atoms.
DOI: 10.17188/1311155
title: Materials Data on BaTlHg2 by Materials Project

description: BaHg2Tl is Heusler structured and crystallizes in the cubic Fm-3m space group. The structure is three-dimensional. Ba is bonded in a body-centered cubic geometry to eight equivalent Hg and six equivalent Tl atoms. All Ba–Hg bond lengths are 3.46 Å. All Ba–Tl bond lengths are 3.99 Å. Hg is bonded in a body-centered cubic geometry to four equivalent Ba and four equivalent Tl atoms. All Hg–Tl bond lengths are 3.46 Å. Tl is bonded in a 8-coordinate geometry to six equivalent Ba and eight equivalent Hg atoms.
DOI: 10.17188/1311156
title: Materials Data on CdPd3 by Materials Project

description: Pd3Cd is beta Cu3Ti-like structured and crystallizes in the tetragonal I4/mmm space group. The structure is three-dimensional. there are two inequivalent Pd sites. In the first Pd site, Pd is bonded to eight Pd and four equivalent Cd atoms to form distorted PdCd4Pd8 cuboctahedra that share corners with twelve equivalent PdCd4Pd8 cuboctahedra, edges with eight equivalent CdPd12 cuboctahedra, edges with sixteen PdCd4Pd8 cuboctahedra, faces with four equivalent CdPd12 cuboctahedra, and faces with fourteen PdCd4Pd8 cuboctahedra. There are four shorter (2.86 Å) and four longer (2.87 Å) Pd–Pd bond lengths. All Pd–Cd bond lengths are 2.86 Å. In the second Pd site, Pd is bonded to eight equivalent Pd and four equivalent Cd atoms to form distorted PdCd4Pd8 cuboctahedra that share corners with four equivalent PdCd4Pd8 cuboctahedra, corners with eight equivalent CdPd12 cuboctahedra, edges with twenty-four PdCd4Pd8 cuboctahedra, faces with six equivalent CdPd12 cuboctahedra, and faces with twelve PdCd4Pd8 cuboctahedra. All Pd–Cd bond lengths are 2.87 Å. Cd is bonded to twelve Pd atoms to form CdPd12 cuboctahedra that share corners with four equivalent CdPd12 cuboctahedra, corners with eight equivalent PdCd4Pd8 cuboctahedra, edges with eight equivalent CdPd12 cuboctahedra, edges with sixteen equivalent PdCd4Pd8 cuboctahedra, faces with four equivalent CdPd12 cuboctahedra, and faces with fourteen PdCd4Pd8 cuboctahedra.
DOI: 10.17188/1311157
title: Materials Data on Li2CaGe by Materials Project

description: Li2CaGe is Heusler structured and crystallizes in the cubic Fm-3m space group. The structure is three-dimensional. Li is bonded in a distorted body-centered cubic geometry to four equivalent Ca and four equivalent Ge atoms. All Li–Ca bond lengths are 2.87 Å. All Li–Ge bond lengths are 2.87 Å. Ca is bonded in a 8-coordinate geometry to eight equivalent Li and six equivalent Ge atoms. All Ca–Ge bond lengths are 3.32 Å. Ge is bonded in a distorted body-centered cubic geometry to eight equivalent Li and six equivalent Ca atoms.
DOI: 10.17188/1311158
title: Materials Data on Li2AgPd by Materials Project

description: Li2PdAg is Heusler structured and crystallizes in the cubic Fm-3m space group. The structure is three-dimensional. Li is bonded in a body-centered cubic geometry to four equivalent Pd and four equivalent Ag atoms. All Li–Pd bond lengths are 2.67 Å. All Li–Ag bond lengths are 2.67 Å. Pd is bonded in a body-centered cubic geometry to eight equivalent Li atoms. Ag is bonded in a body-centered cubic geometry to eight equivalent Li atoms.
DOI: 10.17188/1311159
title: Materials Data on LuCdHg2 by Materials Project

description: LuHg2Cd 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 eight equivalent Hg atoms. All Lu–Hg bond lengths are 3.10 Å. Hg is bonded in a body-centered cubic geometry to four equivalent Lu and four equivalent Cd atoms. All Hg–Cd bond lengths are 3.10 Å. Cd is bonded in a distorted body-centered cubic geometry to eight equivalent Hg atoms.
DOI: 10.17188/1311160
title: Materials Data on Al2IrRu by Materials Project

description: RuIrAl2 is Heusler structured and crystallizes in the cubic Fm-3m space group. The structure is three-dimensional. Ru is bonded in a body-centered cubic geometry to eight equivalent Al atoms. All Ru–Al bond lengths are 2.61 Å. Ir is bonded in a body-centered cubic geometry to eight equivalent Al atoms. All Ir–Al bond lengths are 2.61 Å. Al is bonded in a body-centered cubic geometry to four equivalent Ru and four equivalent Ir atoms.
DOI: 10.17188/1311161
title: Materials Data on Y3Al7Cu2 by Materials Project

description: Y3Cu2Al7 crystallizes in the trigonal R-3m space group. The structure is three-dimensional. there are two inequivalent Y sites. In the first Y site, Y is bonded in a 6-coordinate geometry to six equivalent Cu atoms. All Y–Cu bond lengths are 3.18 Å. In the second Y site, Y is bonded in a 12-coordinate geometry to twelve Al atoms. There are a spread of Y–Al bond distances ranging from 3.19–3.27 Å. Cu is bonded in a 9-coordinate geometry to three equivalent Y and six equivalent Al atoms. There are three shorter (2.54 Å) and three longer (2.58 Å) Cu–Al bond lengths. There are two inequivalent Al sites. In the first Al site, Al is bonded in a 12-coordinate geometry to three equivalent Y, two equivalent Cu, and one Al atom. The Al–Al bond length is 2.76 Å. In the second Al site, Al is bonded to six equivalent Y and six equivalent Al atoms to form edge-sharing AlY6Al6 cuboctahedra.
DOI: 10.17188/1311162
title: Materials Data on YbSmZn2 by Materials Project

description: YbSmZn2 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 Zn atoms. All Yb–Zn bond lengths are 3.13 Å. Sm is bonded in a body-centered cubic geometry to eight equivalent Zn atoms. All Sm–Zn bond lengths are 3.13 Å. Zn is bonded in a body-centered cubic geometry to four equivalent Yb and four equivalent Sm atoms.
DOI: 10.17188/1311163
title: Materials Data on YbSnRh2 by Materials Project

description: YbRh2Sn 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 and six equivalent Sn atoms. All Yb–Rh bond lengths are 2.83 Å. All Yb–Sn bond lengths are 3.27 Å. Rh is bonded in a body-centered cubic geometry to four equivalent Yb and four equivalent Sn atoms. All Rh–Sn bond lengths are 2.83 Å. Sn is bonded in a distorted body-centered cubic geometry to six equivalent Yb and eight equivalent Rh atoms.
DOI: 10.17188/1311164
title: Materials Data on YbSmRh2 by Materials Project

description: YbSmRh2 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 2.96 Å. Sm is bonded in a body-centered cubic geometry to eight equivalent Rh atoms. All Sm–Rh bond lengths are 2.96 Å. Rh is bonded in a body-centered cubic geometry to four equivalent Yb and four equivalent Sm atoms.
DOI: 10.17188/1311165
title: Materials Data on YbScRh2 by Materials Project

description: YbScRh2 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 2.83 Å. Sc is bonded in a body-centered cubic geometry to eight equivalent Rh atoms. All Sc–Rh bond lengths are 2.83 Å. Rh is bonded in a body-centered cubic geometry to four equivalent Yb and four equivalent Sc atoms.
DOI: 10.17188/1311166
title: Materials Data on YbSnAu2 by Materials Project

description: YbAu2Sn 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 Au atoms. All Yb–Au bond lengths are 3.05 Å. Au is bonded in a body-centered cubic geometry to four equivalent Yb and four equivalent Sn atoms. All Au–Sn bond lengths are 3.05 Å. Sn is bonded in a distorted body-centered cubic geometry to eight equivalent Au atoms.
DOI: 10.17188/1311167
title: Materials Data on YbSbPd2 by Materials Project

description: YbPd2Sb is Heusler structured and crystallizes in the cubic Fm-3m space group. The structure is three-dimensional. Yb is bonded in a distorted body-centered cubic geometry to eight equivalent Pd and six equivalent Sb atoms. All Yb–Pd bond lengths are 2.92 Å. All Yb–Sb bond lengths are 3.37 Å. Pd is bonded in a distorted body-centered cubic geometry to four equivalent Yb and four equivalent Sb atoms. All Pd–Sb bond lengths are 2.92 Å. Sb is bonded in a 8-coordinate geometry to six equivalent Yb and eight equivalent Pd atoms.
DOI: 10.17188/1311168
title: Materials Data on YbPrZn2 by Materials Project

description: YbPrZn2 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 Zn atoms. All Yb–Zn bond lengths are 3.18 Å. Pr is bonded in a body-centered cubic geometry to eight equivalent Zn atoms. All Pr–Zn bond lengths are 3.18 Å. Zn is bonded in a body-centered cubic geometry to four equivalent Yb and four equivalent Pr atoms.
DOI: 10.17188/1311169
title: Materials Data on HfGaIr2 by Materials Project

description: HfIr2Ga 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 Ir atoms. All Hf–Ir bond lengths are 2.75 Å. Ir is bonded in a body-centered cubic geometry to four equivalent Hf and four equivalent Ga atoms. All Ir–Ga bond lengths are 2.75 Å. Ga is bonded in a distorted body-centered cubic geometry to eight equivalent Ir atoms.
DOI: 10.17188/1311170
title: Materials Data on YbTlPd2 by Materials Project

description: YbPd2Tl 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 Pd atoms. All Yb–Pd bond lengths are 2.95 Å. Pd is bonded in a body-centered cubic geometry to four equivalent Yb and four equivalent Tl atoms. All Pd–Tl bond lengths are 2.95 Å. Tl is bonded in a distorted body-centered cubic geometry to eight equivalent Pd atoms.
DOI: 10.17188/1311171
title: Materials Data on CaLaCd2 by Materials Project

description: CaLaCd2 is Heusler structured and crystallizes in the cubic Fm-3m space group. The structure is three-dimensional. Ca is bonded in a body-centered cubic geometry to eight equivalent Cd atoms. All Ca–Cd bond lengths are 3.38 Å. La is bonded in a body-centered cubic geometry to eight equivalent Cd atoms. All La–Cd bond lengths are 3.38 Å. Cd is bonded in a body-centered cubic geometry to four equivalent Ca and four equivalent La atoms.
DOI: 10.17188/1311172
title: Materials Data on AlVRu2 by Materials Project

description: Ru2VAl 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 2.60 Å. Ru is bonded in a body-centered cubic geometry to four equivalent V and four equivalent Al atoms. All Ru–Al bond lengths are 2.60 Å. Al is bonded in a body-centered cubic geometry to eight equivalent Ru atoms.
DOI: 10.17188/1311173
title: Materials Data on YbTl2Cd by Materials Project

description: YbCdTl2 is Heusler structured and crystallizes in the cubic Fm-3m space group. The structure is three-dimensional. Yb is bonded in a distorted body-centered cubic geometry to six equivalent Cd and eight equivalent Tl atoms. All Yb–Cd bond lengths are 3.77 Å. All Yb–Tl bond lengths are 3.26 Å. Cd is bonded in a 8-coordinate geometry to six equivalent Yb and eight equivalent Tl atoms. All Cd–Tl bond lengths are 3.26 Å. Tl is bonded in a body-centered cubic geometry to four equivalent Yb and four equivalent Cd atoms.
DOI: 10.17188/1311174
title: Materials Data on ErI3 by Materials Project

description: ErI3 crystallizes in the hexagonal P6_3/mmc space group. The structure is one-dimensional and consists of two ErI3 ribbons oriented in the (0, 0, 1) direction. Er3+ is bonded to six equivalent I1- atoms to form distorted face-sharing ErI6 pentagonal pyramids. All Er–I bond lengths are 3.05 Å. I1- is bonded in an L-shaped geometry to two equivalent Er3+ atoms.
DOI: 10.17188/1311175
title: Materials Data on Er2InAg by Materials Project

description: Er2AgIn is Heusler structured and crystallizes in the cubic Fm-3m space group. The structure is three-dimensional. Er is bonded in a body-centered cubic geometry to four equivalent Ag and four equivalent In atoms. All Er–Ag bond lengths are 3.19 Å. All Er–In bond lengths are 3.19 Å. Ag is bonded in a body-centered cubic geometry to eight equivalent Er atoms. In is bonded in a body-centered cubic geometry to eight equivalent Er atoms.
DOI: 10.17188/1311176
title: Materials Data on Dy2TlCd by Materials Project

description: Dy2CdTl is Heusler structured and crystallizes in the cubic Fm-3m space group. The structure is three-dimensional. Dy is bonded in a body-centered cubic geometry to four equivalent Cd and four equivalent Tl atoms. All Dy–Cd bond lengths are 3.27 Å. All Dy–Tl bond lengths are 3.27 Å. Cd is bonded in a body-centered cubic geometry to eight equivalent Dy atoms. Tl is bonded in a body-centered cubic geometry to eight equivalent Dy atoms.
DOI: 10.17188/1311177
title: Materials Data on CaBi3 by Materials Project

description: CaBi3 is Uranium Silicide structured and crystallizes in the cubic Pm-3m space group. The structure is three-dimensional. Ca is bonded to twelve equivalent Bi atoms to form a mixture of corner and face-sharing CaBi12 cuboctahedra. All Ca–Bi bond lengths are 3.53 Å. Bi is bonded in a distorted square co-planar geometry to four equivalent Ca atoms.