cometadata/datacite-titles-descriptions-related-identifiers huggingface dataset:
DOI: 10.17188/1196217
title: Materials Data on V2InC by Materials Project

description: V2InC is H-Phase structured and crystallizes in the hexagonal P6_3/mmc space group. The structure is three-dimensional. V is bonded in a 3-coordinate geometry to three equivalent In and three equivalent C atoms. All V–In bond lengths are 2.93 Å. All V–C bond lengths are 2.04 Å. In is bonded to six equivalent V and six equivalent In atoms to form InV6In6 cuboctahedra that share corners with six equivalent InV6In6 cuboctahedra, corners with six equivalent CV6 octahedra, edges with six equivalent InV6In6 cuboctahedra, edges with six equivalent CV6 octahedra, and faces with six equivalent InV6In6 cuboctahedra. The corner-sharing octahedral tilt angles are 22°. All In–In bond lengths are 3.02 Å. C is bonded to six equivalent V atoms to form CV6 octahedra that share corners with six equivalent InV6In6 cuboctahedra, edges with six equivalent InV6In6 cuboctahedra, and edges with six equivalent CV6 octahedra.
DOI: 10.7302/fw5x-m514
title: Computed tomography voxel dataset for ummz:mammals:154691-Blarina brevicauda brevicauda-Skull
DOI: 10.17188/1196218
title: Materials Data on Ce3In by Materials Project

description: Ce3In is Uranium Silicide structured and crystallizes in the cubic Pm-3m space group. The structure is three-dimensional. Ce is bonded to eight equivalent Ce and four equivalent In atoms to form distorted CeCe8In4 cuboctahedra that share corners with twelve equivalent CeCe8In4 cuboctahedra, edges with eight equivalent InCe12 cuboctahedra, edges with sixteen equivalent CeCe8In4 cuboctahedra, faces with four equivalent InCe12 cuboctahedra, and faces with fourteen equivalent CeCe8In4 cuboctahedra. All Ce–Ce bond lengths are 3.40 Å. All Ce–In bond lengths are 3.40 Å. In is bonded to twelve equivalent Ce atoms to form InCe12 cuboctahedra that share corners with twelve equivalent InCe12 cuboctahedra, edges with twenty-four equivalent CeCe8In4 cuboctahedra, faces with six equivalent InCe12 cuboctahedra, and faces with twelve equivalent CeCe8In4 cuboctahedra.
DOI: 10.17188/1196219
title: Materials Data on TaPbS2 by Materials Project

description: TaPbS2 crystallizes in the hexagonal P6_3/mmc space group. The structure is three-dimensional. Ta is bonded to six equivalent S atoms to form distorted edge-sharing TaS6 pentagonal pyramids. All Ta–S bond lengths are 2.49 Å. Pb is bonded in a distorted linear geometry to two equivalent S atoms. Both Pb–S bond lengths are 2.96 Å. S is bonded in a distorted rectangular see-saw-like geometry to three equivalent Ta and one Pb atom.
DOI: 10.17188/1196220
title: Materials Data on YZnSn by Materials Project

description: YZnSn crystallizes in the hexagonal P6_3/mmc space group. The structure is three-dimensional. there are two inequivalent Y sites. In the first Y site, Y is bonded to six equivalent Sn atoms to form edge-sharing YSn6 octahedra. All Y–Sn bond lengths are 3.19 Å. In the second Y site, Y is bonded in a 12-coordinate geometry to six equivalent Zn and six equivalent Sn atoms. All Y–Zn bond lengths are 2.97 Å. All Y–Sn bond lengths are 3.41 Å. Zn is bonded in a 6-coordinate geometry to three equivalent Y and three equivalent Sn atoms. All Zn–Sn bond lengths are 2.71 Å. Sn is bonded in a 6-coordinate geometry to six Y and three equivalent Zn atoms.
DOI: 10.17188/1196221
title: Materials Data on Cs2LiCr(CN)6 by Materials Project

description: Cs2LiCr(CN)6 crystallizes in the cubic Fm-3m space group. The structure is three-dimensional and consists of four chromium molecules and one Cs2Li(CN)6 framework. In the Cs2Li(CN)6 framework, Cs1+ is bonded in a 12-coordinate geometry to twelve equivalent N3- atoms. All Cs–N bond lengths are 3.88 Å. Li1+ is bonded in an octahedral geometry to six equivalent N3- atoms. All Li–N bond lengths are 2.22 Å. C2+ is bonded in a single-bond geometry to one N3- atom. The C–N bond length is 1.18 Å. N3- is bonded in a linear geometry to four equivalent Cs1+, one Li1+, and one C2+ atom.
DOI: 10.17188/1196222
title: Materials Data on FeS by Materials Project

description: FeS is Molybdenum Carbide MAX Phase-like structured and crystallizes in the hexagonal P6_3/mmc space group. The structure is three-dimensional. Fe2+ is bonded to six equivalent S2- atoms to form a mixture of face, edge, and corner-sharing FeS6 octahedra. The corner-sharing octahedral tilt angles are 48°. All Fe–S bond lengths are 2.43 Å. S2- is bonded to six equivalent Fe2+ atoms to form a mixture of distorted edge and corner-sharing SFe6 pentagonal pyramids.
DOI: 10.17188/1196223
title: Materials Data on Pr3InN by Materials Project

description: Pr3InN is (Cubic) Perovskite structured and crystallizes in the cubic Pm-3m space group. The structure is three-dimensional. Pr is bonded in a linear geometry to four equivalent In and two equivalent N atoms. All Pr–In bond lengths are 3.60 Å. Both Pr–N bond lengths are 2.54 Å. In is bonded to twelve equivalent Pr atoms to form InPr12 cuboctahedra that share corners with twelve equivalent InPr12 cuboctahedra, faces with six equivalent InPr12 cuboctahedra, and faces with eight equivalent NPr6 octahedra. N is bonded to six equivalent Pr atoms to form NPr6 octahedra that share corners with six equivalent NPr6 octahedra and faces with eight equivalent InPr12 cuboctahedra. The corner-sharing octahedral tilt angles are 0°.
DOI: 10.17188/1196224
title: Materials Data on BaPbO3 by Materials Project

description: BaPbO3 crystallizes in the tetragonal I4/mcm space group. The structure is three-dimensional. Ba2+ is bonded in a 12-coordinate geometry to eight O2- atoms. There are four shorter (2.79 Å) and four longer (3.05 Å) Ba–O bond lengths. Pb4+ is bonded to six O2- atoms to form corner-sharing PbO6 octahedra. The corner-sharing octahedra tilt angles range from 0–24°. There are four shorter (2.21 Å) and two longer (2.22 Å) Pb–O bond lengths. There are two inequivalent O2- sites. In the first O2- site, O2- is bonded in a 4-coordinate geometry to two equivalent Ba2+ and two equivalent Pb4+ atoms. In the second O2- site, O2- is bonded to four equivalent Ba2+ and two equivalent Pb4+ atoms to form a mixture of distorted edge and corner-sharing OBa4Pb2 octahedra. The corner-sharing octahedral tilt angles are 0°.
DOI: 10.17188/1196225
title: Materials Data on Ce3InC by Materials Project

description: Ce3InC is (Cubic) Perovskite structured and crystallizes in the cubic Pm-3m space group. The structure is three-dimensional. Ce is bonded in a linear geometry to four equivalent In and two equivalent C atoms. All Ce–In bond lengths are 3.53 Å. Both Ce–C bond lengths are 2.50 Å. In is bonded to twelve equivalent Ce atoms to form InCe12 cuboctahedra that share corners with twelve equivalent InCe12 cuboctahedra, faces with six equivalent InCe12 cuboctahedra, and faces with eight equivalent CCe6 octahedra. C is bonded to six equivalent Ce atoms to form CCe6 octahedra that share corners with six equivalent CCe6 octahedra and faces with eight equivalent InCe12 cuboctahedra. The corner-sharing octahedral tilt angles are 0°.
DOI: 10.17188/1196226
title: Materials Data on TaO2 by Materials Project

description: TaO2 is Rutile structured and crystallizes in the tetragonal P4_2/mnm space group. The structure is three-dimensional. Ta4+ is bonded to six equivalent O2- atoms to form a mixture of edge and corner-sharing TaO6 octahedra. The corner-sharing octahedral tilt angles are 43°. There are two shorter (2.02 Å) and four longer (2.09 Å) Ta–O bond lengths. O2- is bonded in a distorted T-shaped geometry to three equivalent Ta4+ atoms.
DOI: 10.17188/1196227
title: Materials Data on Eu4As3 by Materials Project

description: Eu4As3 crystallizes in the cubic I-43d space group. The structure is three-dimensional. Eu+2.25+ is bonded to six equivalent As3- atoms to form a mixture of distorted edge, face, and corner-sharing EuAs6 octahedra. The corner-sharing octahedra tilt angles range from 20–48°. There are three shorter (3.03 Å) and three longer (3.34 Å) Eu–As bond lengths. As3- is bonded in a 8-coordinate geometry to eight equivalent Eu+2.25+ atoms.
DOI: 10.17188/1196228
title: Materials Data on DyIn5Rh by Materials Project

description: DyRhIn5 crystallizes in the tetragonal P4/mmm space group. The structure is three-dimensional. Dy is bonded to twelve In atoms to form DyIn12 cuboctahedra that share corners with four equivalent DyIn12 cuboctahedra, faces with four equivalent DyIn12 cuboctahedra, and faces with four equivalent InDy4In8 cuboctahedra. There are eight shorter (3.26 Å) and four longer (3.29 Å) Dy–In bond lengths. Rh is bonded in a body-centered cubic geometry to eight equivalent In atoms. All Rh–In bond lengths are 2.77 Å. There are two inequivalent In sites. In the first In site, In is bonded to four equivalent Dy and eight equivalent In atoms to form distorted InDy4In8 cuboctahedra that share corners with four equivalent InDy4In8 cuboctahedra, faces with four equivalent DyIn12 cuboctahedra, and faces with four equivalent InDy4In8 cuboctahedra. All In–In bond lengths are 3.26 Å. In the second In site, In is bonded in a 4-coordinate geometry to two equivalent Dy, two equivalent Rh, and two equivalent In atoms.
DOI: 10.17188/1196229
title: Materials Data on InNi by Materials Project

description: NiIn is Tetraauricupride structured and crystallizes in the cubic Pm-3m space group. The structure is three-dimensional. Ni is bonded in a body-centered cubic geometry to eight equivalent In atoms. All Ni–In bond lengths are 2.73 Å. In is bonded in a body-centered cubic geometry to eight equivalent Ni atoms.
DOI: 10.17188/1196230
title: Materials Data on LiCaPb by Materials Project

description: LiCaPb crystallizes in the hexagonal P-6m2 space group. The structure is three-dimensional. there are two inequivalent Li sites. In the first Li site, Li is bonded in a 3-coordinate geometry to three equivalent Ca and four Pb atoms. All Li–Ca bond lengths are 3.25 Å. There are three shorter (2.92 Å) and one longer (3.34 Å) Li–Pb bond lengths. In the second Li site, Li is bonded in a trigonal planar geometry to six equivalent Ca and three equivalent Pb atoms. All Li–Ca bond lengths are 3.41 Å. All Li–Pb bond lengths are 2.88 Å. There are two inequivalent Ca sites. In the first Ca site, Ca is bonded in a 6-coordinate geometry to six Li, two Ca, and six Pb atoms. There are one shorter (3.65 Å) and one longer (3.67 Å) Ca–Ca bond lengths. There are three shorter (3.41 Å) and three longer (3.48 Å) Ca–Pb bond lengths. In the second Ca site, Ca is bonded in a 6-coordinate geometry to two equivalent Ca and six equivalent Pb atoms. All Ca–Pb bond lengths are 3.35 Å. There are two inequivalent Pb sites. In the first Pb site, Pb is bonded in a 3-coordinate geometry to three equivalent Li and six Ca atoms. In the second Pb site, Pb is bonded in a 3-coordinate geometry to five Li and six equivalent Ca atoms.
DOI: 10.17188/1196231
title: Materials Data on La3InN by Materials Project

description: La3InN is (Cubic) Perovskite structured and crystallizes in the cubic Pm-3m space group. The structure is three-dimensional. La is bonded in a linear geometry to four equivalent In and two equivalent N atoms. All La–In bond lengths are 3.63 Å. Both La–N bond lengths are 2.57 Å. In is bonded to twelve equivalent La atoms to form InLa12 cuboctahedra that share corners with twelve equivalent InLa12 cuboctahedra, faces with six equivalent InLa12 cuboctahedra, and faces with eight equivalent NLa6 octahedra. N is bonded to six equivalent La atoms to form NLa6 octahedra that share corners with six equivalent NLa6 octahedra and faces with eight equivalent InLa12 cuboctahedra. The corner-sharing octahedral tilt angles are 0°.
DOI: 10.17188/1196232
title: Materials Data on Ca by Materials Project

description: Ca is Tungsten structured and crystallizes in the orthorhombic Fmmm space group. The structure is three-dimensional. Ca is bonded in a body-centered cubic geometry to eight equivalent Ca atoms. There are four shorter (3.78 Å) and four longer (3.80 Å) Ca–Ca bond lengths.
DOI: 10.17188/1196233
title: Materials Data on BaLi4 by Materials Project

description: BaLi4 crystallizes in the orthorhombic Cmcm space group. The structure is three-dimensional. there are six inequivalent Li sites. In the first Li site, Li is bonded to twelve Li atoms to form face-sharing LiLi12 cuboctahedra. There are a spread of Li–Li bond distances ranging from 2.87–3.13 Å. In the second Li site, Li is bonded in a 10-coordinate geometry to four Li and six Ba atoms. There are a spread of Li–Li bond distances ranging from 2.89–3.20 Å. There are a spread of Li–Ba bond distances ranging from 3.91–3.94 Å. In the third Li site, Li is bonded in a 12-coordinate geometry to ten Li and two Ba atoms. There are a spread of Li–Li bond distances ranging from 3.02–3.24 Å. There are one shorter (3.82 Å) and one longer (3.83 Å) Li–Ba bond lengths. In the fourth Li site, Li is bonded in a 12-coordinate geometry to ten Li and two equivalent Ba atoms. There are two shorter (3.02 Å) and four longer (3.12 Å) Li–Li bond lengths. Both Li–Ba bond lengths are 3.83 Å. In the fifth Li site, Li is bonded in a 12-coordinate geometry to eight Li and four Ba atoms. There are a spread of Li–Li bond distances ranging from 3.20–3.29 Å. There are a spread of Li–Ba bond distances ranging from 3.80–4.04 Å. In the sixth Li site, Li is bonded in a 12-coordinate geometry to eight Li and four equivalent Ba atoms. The Li–Li bond length is 3.20 Å. There are two shorter (3.80 Å) and two longer (4.04 Å) Li–Ba bond lengths. There are two inequivalent Ba sites. In the first Ba site, Ba is bonded in a 10-coordinate geometry to fourteen Li atoms. In the second Ba site, Ba is bonded in a 8-coordinate geometry to fourteen Li atoms.
DOI: 10.17188/1196245
title: Materials Data on Dy(MnGe)2 by Materials Project

description: DyMn2Ge2 crystallizes in the tetragonal I4/mmm space group. The structure is three-dimensional. Dy is bonded in a 8-coordinate geometry to eight equivalent Ge atoms. All Dy–Ge bond lengths are 3.07 Å. Mn is bonded to four equivalent Ge atoms to form a mixture of edge and corner-sharing MnGe4 tetrahedra. All Mn–Ge bond lengths are 2.43 Å. Ge is bonded in a 9-coordinate geometry to four equivalent Dy, four equivalent Mn, and one Ge atom. The Ge–Ge bond length is 2.59 Å.
DOI: 10.17188/1196246
title: Materials Data on Y(GeRu)2 by Materials Project

description: Y(RuGe)2 crystallizes in the tetragonal I4/mmm space group. The structure is three-dimensional. Y is bonded in a 8-coordinate geometry to eight equivalent Ru and eight equivalent Ge atoms. All Y–Ru bond lengths are 3.27 Å. All Y–Ge bond lengths are 3.28 Å. Ru is bonded in a 4-coordinate geometry to four equivalent Y and four equivalent Ge atoms. All Ru–Ge bond lengths are 2.44 Å. Ge is bonded in a 9-coordinate geometry to four equivalent Y, four equivalent Ru, and one Ge atom. The Ge–Ge bond length is 2.58 Å.
DOI: 10.17188/1196247
title: Materials Data on LaIn2Rh by Materials Project

description: LaRhIn2 crystallizes in the orthorhombic Cmcm space group. The structure is three-dimensional. La is bonded in a distorted single-bond geometry to three equivalent Rh atoms. There are one shorter (2.76 Å) and two longer (3.28 Å) La–Rh bond lengths. Rh is bonded in a 9-coordinate geometry to three equivalent La and six equivalent In atoms. There are two shorter (2.85 Å) and four longer (2.86 Å) Rh–In bond lengths. In is bonded in a 3-coordinate geometry to three equivalent Rh atoms.
DOI: 10.17188/1196248
title: Materials Data on Y2ReC2 by Materials Project

description: Y2ReC2 crystallizes in the orthorhombic Pnma space group. The structure is three-dimensional. there are two inequivalent Y sites. In the first Y site, Y is bonded in a distorted rectangular see-saw-like geometry to four C atoms. There are a spread of Y–C bond distances ranging from 2.54–2.71 Å. In the second Y site, Y is bonded to five C atoms to form a mixture of corner and edge-sharing YC5 square pyramids. There are a spread of Y–C bond distances ranging from 2.51–2.58 Å. Re is bonded in a distorted trigonal planar geometry to three C atoms. There are a spread of Re–C bond distances ranging from 1.93–2.05 Å. There are two inequivalent C sites. In the first C site, C is bonded to five Y and one Re atom to form a mixture of corner and edge-sharing CY5Re octahedra. The corner-sharing octahedra tilt angles range from 3–39°. In the second C site, C is bonded to four Y and two equivalent Re atoms to form a mixture of corner and edge-sharing CY4Re2 octahedra. The corner-sharing octahedra tilt angles range from 11–39°.
DOI: 10.17188/1196249
title: Materials Data on GdIn by Materials Project

description: GdIn is Tetraauricupride structured and crystallizes in the cubic Pm-3m space group. The structure is three-dimensional. Gd is bonded in a body-centered cubic geometry to eight equivalent In atoms. All Gd–In bond lengths are 3.31 Å. In is bonded in a body-centered cubic geometry to eight equivalent Gd atoms.
DOI: 10.17188/1196250
title: Materials Data on Ce(NiAs)2 by Materials Project

description: CeNi2As2 crystallizes in the tetragonal I4/mmm space group. The structure is three-dimensional. Ce3+ is bonded in a distorted body-centered cubic geometry to eight equivalent As3- atoms. All Ce–As bond lengths are 3.19 Å. Ni+1.50+ is bonded to four equivalent As3- atoms to form a mixture of corner and edge-sharing NiAs4 tetrahedra. All Ni–As bond lengths are 2.37 Å. As3- is bonded in a 9-coordinate geometry to four equivalent Ce3+, four equivalent Ni+1.50+, and one As3- atom. The As–As bond length is 2.64 Å.
DOI: 10.17188/1196251
title: Materials Data on SmSnPt by Materials Project

description: SmPtSn crystallizes in the hexagonal P-62m space group. The structure is three-dimensional. Sm is bonded in a 11-coordinate geometry to five Pt and six equivalent Sn atoms. There are four shorter (3.09 Å) and one longer (3.10 Å) Sm–Pt bond lengths. There are two shorter (3.28 Å) and four longer (3.40 Å) Sm–Sn bond lengths. There are two inequivalent Pt sites. In the first Pt site, Pt is bonded in a 9-coordinate geometry to six equivalent Sm and three equivalent Sn atoms. All Pt–Sn bond lengths are 2.87 Å. In the second Pt site, Pt is bonded in a 9-coordinate geometry to three equivalent Sm and six equivalent Sn atoms. All Pt–Sn bond lengths are 2.83 Å. Sn is bonded in a 10-coordinate geometry to six equivalent Sm and four Pt atoms.
DOI: 10.17188/1196252
title: Materials Data on Ni3Ge by Materials Project

description: Ni3Ge is Uranium Silicide structured and crystallizes in the cubic Pm-3m space group. The structure is three-dimensional. Ni is bonded to eight equivalent Ni and four equivalent Ge atoms to form NiNi8Ge4 cuboctahedra that share corners with twelve equivalent NiNi8Ge4 cuboctahedra, edges with eight equivalent GeNi12 cuboctahedra, edges with sixteen equivalent NiNi8Ge4 cuboctahedra, faces with four equivalent GeNi12 cuboctahedra, and faces with fourteen equivalent NiNi8Ge4 cuboctahedra. All Ni–Ni bond lengths are 2.53 Å. All Ni–Ge bond lengths are 2.53 Å. Ge is bonded to twelve equivalent Ni atoms to form GeNi12 cuboctahedra that share corners with twelve equivalent GeNi12 cuboctahedra, edges with twenty-four equivalent NiNi8Ge4 cuboctahedra, faces with six equivalent GeNi12 cuboctahedra, and faces with twelve equivalent NiNi8Ge4 cuboctahedra.
DOI: 10.17188/1196253
title: Materials Data on EuSe by Materials Project

description: EuSe is Halite, Rock Salt structured and crystallizes in the cubic Fm-3m space group. The structure is three-dimensional. Eu2+ is bonded to six equivalent Se2- atoms to form a mixture of edge and corner-sharing EuSe6 octahedra. The corner-sharing octahedral tilt angles are 0°. All Eu–Se bond lengths are 3.07 Å. Se2- is bonded to six equivalent Eu2+ atoms to form a mixture of edge and corner-sharing SeEu6 octahedra. The corner-sharing octahedral tilt angles are 0°.
DOI: 10.17188/1196254
title: Materials Data on PrSnRu by Materials Project

description: PrRuSn crystallizes in the orthorhombic Pnma space group. The structure is three-dimensional. Pr is bonded in a 2-coordinate geometry to four equivalent Ru and six equivalent Sn atoms. There are two shorter (3.05 Å) and two longer (3.21 Å) Pr–Ru bond lengths. There are a spread of Pr–Sn bond distances ranging from 3.28–3.43 Å. Ru is bonded in a 8-coordinate geometry to four equivalent Pr and four equivalent Sn atoms. There are a spread of Ru–Sn bond distances ranging from 2.70–2.77 Å. Sn is bonded in a 10-coordinate geometry to six equivalent Pr and four equivalent Ru atoms.
DOI: 10.17188/1196255
title: Materials Data on Ce4As3 by Materials Project

description: Ce4As3 crystallizes in the cubic I-43d space group. The structure is three-dimensional. Ce is bonded in a 6-coordinate geometry to six equivalent As atoms. There are three shorter (2.96 Å) and three longer (3.21 Å) Ce–As bond lengths. As is bonded to eight equivalent Ce atoms to form a mixture of distorted corner, edge, and face-sharing AsCe8 hexagonal bipyramids.
DOI: 10.17188/1196256
title: Materials Data on Si3Rh5 by Materials Project

description: Rh5Si3 crystallizes in the orthorhombic Pbam space group. The structure is three-dimensional. there are three inequivalent Rh sites. In the first Rh site, Rh is bonded in a 4-coordinate geometry to six Si atoms. There are a spread of Rh–Si bond distances ranging from 2.37–3.12 Å. In the second Rh site, Rh is bonded in a 5-coordinate geometry to five Si atoms. There are a spread of Rh–Si bond distances ranging from 2.36–2.76 Å. In the third Rh site, Rh is bonded in a 6-coordinate geometry to six Si atoms. There are four shorter (2.57 Å) and two longer (2.70 Å) Rh–Si bond lengths. There are two inequivalent Si sites. In the first Si site, Si is bonded in a 10-coordinate geometry to ten Rh atoms. In the second Si site, Si is bonded in a body-centered cubic geometry to eight Rh atoms.
DOI: 10.17188/1196257
title: Materials Data on Cs2LiFe(CN)6 by Materials Project

description: Cs2Li(CN)6Fe crystallizes in the cubic Fm-3m space group. The structure is three-dimensional and consists of four iron molecules and one Cs2Li(CN)6 framework. In the Cs2Li(CN)6 framework, Cs1+ is bonded to twelve equivalent N3- atoms to form distorted CsN12 cuboctahedra that share corners with twelve equivalent CsN12 cuboctahedra, faces with six equivalent CsN12 cuboctahedra, and faces with four equivalent LiN6 octahedra. All Cs–N bond lengths are 3.79 Å. Li1+ is bonded to six equivalent N3- atoms to form LiN6 octahedra that share faces with eight equivalent CsN12 cuboctahedra. All Li–N bond lengths are 2.24 Å. C2+ is bonded in a single-bond geometry to one N3- atom. The C–N bond length is 1.18 Å. N3- is bonded in a linear geometry to four equivalent Cs1+, one Li1+, and one C2+ atom.
DOI: 10.17188/1196258
title: Materials Data on DySnPd2 by Materials Project

description: Pd2DySn 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 eight equivalent Pd and six equivalent Sn atoms. All Dy–Pd bond lengths are 2.94 Å. All Dy–Sn bond lengths are 3.40 Å. Pd is bonded in a body-centered cubic geometry to four equivalent Dy and four equivalent Sn atoms. All Pd–Sn bond lengths are 2.94 Å. Sn is bonded in a distorted body-centered cubic geometry to six equivalent Dy and eight equivalent Pd atoms.
DOI: 10.17188/1196259
title: Materials Data on HoCuSb2 by Materials Project

description: HoCuSb2 crystallizes in the tetragonal P4/nmm space group. The structure is three-dimensional. Ho3+ is bonded in a 8-coordinate geometry to eight Sb2- atoms. There are four shorter (3.17 Å) and four longer (3.26 Å) Ho–Sb bond lengths. Cu1+ is bonded to four equivalent Sb2- atoms to form a mixture of edge and corner-sharing CuSb4 tetrahedra. All Cu–Sb bond lengths are 2.68 Å. There are two inequivalent Sb2- sites. In the first Sb2- site, Sb2- is bonded in a 8-coordinate geometry to four equivalent Ho3+ and four equivalent Cu1+ atoms. In the second Sb2- site, Sb2- is bonded in a 8-coordinate geometry to four equivalent Ho3+ and four equivalent Sb2- atoms. All Sb–Sb bond lengths are 3.05 Å.