cometadata/datacite-titles-descriptions-related-identifiers huggingface dataset:
DOI: 10.17188/1312200
title: Materials Data on BeSiRu2 by Materials Project

description: BeRu2Si is Heusler structured and crystallizes in the cubic Fm-3m space group. The structure is three-dimensional. Be is bonded in a body-centered cubic geometry to eight equivalent Ru atoms. All Be–Ru bond lengths are 2.48 Å. Ru is bonded in a body-centered cubic geometry to four equivalent Be and four equivalent Si atoms. All Ru–Si bond lengths are 2.48 Å. Si is bonded in a body-centered cubic geometry to eight equivalent Ru atoms.
DOI: 10.17188/1312201
title: Materials Data on LaZnAu2 by Materials Project

description: LaAu2Zn is Heusler structured and crystallizes in the cubic Fm-3m space group. The structure is three-dimensional. La is bonded in a body-centered cubic geometry to eight equivalent Au atoms. All La–Au bond lengths are 3.08 Å. Au is bonded in a body-centered cubic geometry to four equivalent La and four equivalent Zn atoms. All Au–Zn bond lengths are 3.08 Å. Zn is bonded in a body-centered cubic geometry to eight equivalent Au atoms.
DOI: 10.17188/1312202
title: Materials Data on BeCrRu2 by Materials Project

description: BeCrRu2 is Heusler structured and crystallizes in the cubic Fm-3m space group. The structure is three-dimensional. Be is bonded in a body-centered cubic geometry to eight equivalent Ru atoms. All Be–Ru bond lengths are 2.50 Å. Cr is bonded in a body-centered cubic geometry to eight equivalent Ru atoms. All Cr–Ru bond lengths are 2.50 Å. Ru is bonded in a body-centered cubic geometry to four equivalent Be and four equivalent Cr atoms.
DOI: 10.17188/1312203
title: Materials Data on AcAu3 by Materials Project

description: AcAu3 crystallizes in the hexagonal P6_3/mmc space group. The structure is three-dimensional. Ac3+ is bonded to twelve equivalent Au1- atoms to form a mixture of distorted corner and face-sharing AcAu12 cuboctahedra. There are six shorter (3.27 Å) and six longer (3.47 Å) Ac–Au bond lengths. Au1- is bonded in a 4-coordinate geometry to four equivalent Ac3+ and six equivalent Au1- atoms. There are four shorter (2.96 Å) and two longer (3.05 Å) Au–Au bond lengths.
DOI: 10.17188/1312204
title: Materials Data on Ta7BiO19 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: 10.17188/1312205
title: Materials Data on BeFeRh2 by Materials Project

description: BeFeRh2 is Heusler structured and crystallizes in the cubic Fm-3m space group. The structure is three-dimensional. Be is bonded in a body-centered cubic geometry to eight equivalent Rh atoms. All Be–Rh bond lengths are 2.52 Å. Fe is bonded in a body-centered cubic geometry to eight equivalent Rh atoms. All Fe–Rh bond lengths are 2.52 Å. Rh is bonded in a body-centered cubic geometry to four equivalent Be and four equivalent Fe atoms.
DOI: 10.17188/1312206
title: Materials Data on GaTc by Materials Project

description: TcGa crystallizes in the hexagonal P-6m2 space group. The structure is three-dimensional. Tc3- is bonded to six equivalent Tc3- and six equivalent Ga3+ atoms to form a mixture of distorted corner, edge, and face-sharing TcGa6Tc6 cuboctahedra. All Tc–Tc bond lengths are 2.90 Å. All Tc–Ga bond lengths are 2.64 Å. Ga3+ is bonded in a 6-coordinate geometry to six equivalent Tc3- atoms.
DOI: 10.17188/1312207
title: Materials Data on ScInRh2 by Materials Project

description: ScRh2In is Heusler structured and crystallizes in the cubic Fm-3m space group. The structure is three-dimensional. Sc is bonded in a body-centered cubic geometry to eight equivalent Rh atoms. All Sc–Rh bond lengths are 2.80 Å. Rh is bonded in a body-centered cubic geometry to four equivalent Sc and four equivalent In atoms. All Rh–In bond lengths are 2.80 Å. In is bonded in a distorted body-centered cubic geometry to eight equivalent Rh atoms.
DOI: 10.17188/1312208
title: Materials Data on RbUTe3Au by Materials Project

description: RbAuUTe3 crystallizes in the orthorhombic Cmcm space group. The structure is three-dimensional. Rb1+ is bonded in a 10-coordinate geometry to two equivalent Au1- and eight Te2- atoms. Both Rb–Au bond lengths are 4.11 Å. There are a spread of Rb–Te bond distances ranging from 3.77–3.99 Å. U6+ is bonded to six Te2- atoms to form distorted UTe6 octahedra that share corners with two equivalent UTe6 octahedra, edges with two equivalent UTe6 octahedra, and edges with four equivalent AuRb2Te4 tetrahedra. The corner-sharing octahedral tilt angles are 44°. There are two shorter (3.08 Å) and four longer (3.10 Å) U–Te bond lengths. Au1- is bonded to two equivalent Rb1+ and four Te2- atoms to form distorted AuRb2Te4 tetrahedra that share edges with four equivalent UTe6 octahedra and edges with two equivalent AuRb2Te4 tetrahedra. There are two shorter (2.77 Å) and two longer (2.82 Å) Au–Te bond lengths. There are two inequivalent Te2- sites. In the first Te2- site, Te2- is bonded in a 6-coordinate geometry to three equivalent Rb1+, two equivalent U6+, and one Au1- atom. In the second Te2- site, Te2- is bonded in a 6-coordinate geometry to two equivalent Rb1+, two equivalent U6+, and two equivalent Au1- atoms.
DOI: 10.17188/1312209
title: Materials Data on RbAgF3 by Materials Project

description: RbAgF3 crystallizes in the orthorhombic Amm2 space group. The structure is three-dimensional. Rb1+ is bonded in a 2-coordinate geometry to two equivalent F1- atoms. Both Rb–F bond lengths are 2.63 Å. Ag2+ is bonded to six F1- atoms to form corner-sharing AgF6 octahedra. The corner-sharing octahedra tilt angles range from 0–1°. There are four shorter (2.15 Å) and two longer (2.18 Å) Ag–F bond lengths. There are two inequivalent F1- sites. In the first F1- site, F1- is bonded in a distorted linear geometry to two equivalent Ag2+ atoms. In the second F1- site, F1- is bonded in a distorted rectangular see-saw-like geometry to two equivalent Rb1+ and two equivalent Ag2+ atoms.
DOI: 10.17188/1312210
title: Materials Data on TaTiRe2 by Materials Project

description: TiTaRe2 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 Re atoms. All Ti–Re bond lengths are 2.74 Å. Ta is bonded in a body-centered cubic geometry to eight equivalent Re atoms. All Ta–Re bond lengths are 2.74 Å. Re is bonded in a body-centered cubic geometry to four equivalent Ti and four equivalent Ta atoms.
DOI: 10.17188/1312211
title: Materials Data on La2ZnRu by Materials Project

description: La2RuZn is Heusler structured and crystallizes in the cubic Fm-3m space group. The structure is three-dimensional. La is bonded in a body-centered cubic geometry to four equivalent Ru and four equivalent Zn atoms. All La–Ru bond lengths are 3.16 Å. All La–Zn bond lengths are 3.16 Å. Ru is bonded in a body-centered cubic geometry to eight equivalent La atoms. Zn is bonded in a body-centered cubic geometry to eight equivalent La atoms.
DOI: 10.17188/1312212
title: Materials Data on LaMgCd2 by Materials Project

description: MgLaCd2 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 3.23 Å. La is bonded in a body-centered cubic geometry to eight equivalent Cd atoms. All La–Cd bond lengths are 3.23 Å. Cd is bonded in a body-centered cubic geometry to four equivalent Mg and four equivalent La atoms.
DOI: 10.17188/1312213
title: Materials Data on Ca2TlCd by Materials Project

description: Ca2CdTl 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 four equivalent Cd and four equivalent Tl atoms. All Ca–Cd bond lengths are 3.35 Å. All Ca–Tl bond lengths are 3.35 Å. Cd is bonded in a body-centered cubic geometry to eight equivalent Ca atoms. Tl is bonded in a body-centered cubic geometry to eight equivalent Ca atoms.
DOI: 10.17188/1312214
title: Materials Data on ScMnRh2 by Materials Project

description: ScMnRh2 is Heusler structured and crystallizes in the cubic Fm-3m space group. The structure is three-dimensional. Sc is bonded in a body-centered cubic geometry to eight equivalent Rh atoms. All Sc–Rh bond lengths are 2.72 Å. Mn is bonded in a body-centered cubic geometry to eight equivalent Rh atoms. All Mn–Rh bond lengths are 2.72 Å. Rh is bonded in a body-centered cubic geometry to four equivalent Sc and four equivalent Mn atoms.
DOI: 10.17188/1312215
title: Materials Data on Rb2TlAu3 by Materials Project

description: Rb2Au3Tl crystallizes in the orthorhombic Pmma space group. The structure is three-dimensional. there are two inequivalent Rb1+ sites. In the first Rb1+ site, Rb1+ is bonded in a 6-coordinate geometry to ten Au1- atoms. There are a spread of Rb–Au bond distances ranging from 3.64–3.97 Å. In the second Rb1+ site, Rb1+ is bonded in a 12-coordinate geometry to two equivalent Rb1+, eight Au1-, and two equivalent Tl1+ atoms. Both Rb–Rb bond lengths are 3.80 Å. There are a spread of Rb–Au bond distances ranging from 3.55–4.12 Å. Both Rb–Tl bond lengths are 3.97 Å. There are two inequivalent Au1- sites. In the first Au1- site, Au1- is bonded to six Rb1+ and six Au1- atoms to form a mixture of corner, edge, and face-sharing AuRb6Au6 cuboctahedra. There are four shorter (2.87 Å) and two longer (2.91 Å) Au–Au bond lengths. In the second Au1- site, Au1- is bonded in a 1-coordinate geometry to six Rb1+, two equivalent Au1-, and one Tl1+ atom. The Au–Tl bond length is 2.82 Å. Tl1+ is bonded in an L-shaped geometry to two equivalent Rb1+ and two equivalent Au1- atoms.
DOI: 10.17188/1312216
title: Materials Data on Sm2NiIr by Materials Project

description: Sm2IrNi is Heusler structured and crystallizes in the cubic Fm-3m space group. The structure is three-dimensional. Sm is bonded in a body-centered cubic geometry to four equivalent Ir and four equivalent Ni atoms. All Sm–Ir bond lengths are 3.00 Å. All Sm–Ni bond lengths are 3.00 Å. Ir is bonded in a body-centered cubic geometry to eight equivalent Sm atoms. Ni is bonded in a body-centered cubic geometry to eight equivalent Sm atoms.
DOI: 10.17188/1312217
title: Materials Data on SmCdAg2 by Materials Project

description: SmAg2Cd is Heusler structured and crystallizes in the cubic Fm-3m space group. The structure is three-dimensional. Sm is bonded in a body-centered cubic geometry to eight equivalent Ag and six equivalent Cd atoms. All Sm–Ag bond lengths are 3.08 Å. All Sm–Cd bond lengths are 3.55 Å. Ag is bonded in a body-centered cubic geometry to four equivalent Sm and four equivalent Cd atoms. All Ag–Cd bond lengths are 3.08 Å. Cd is bonded in a distorted body-centered cubic geometry to six equivalent Sm and eight equivalent Ag atoms.
DOI: 10.17188/1312218
title: Materials Data on Ca2ZnRh by Materials Project

description: Ca2RhZn 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 four equivalent Rh and four equivalent Zn atoms. All Ca–Rh bond lengths are 3.07 Å. All Ca–Zn bond lengths are 3.07 Å. Rh is bonded in a body-centered cubic geometry to eight equivalent Ca atoms. Zn is bonded in a body-centered cubic geometry to eight equivalent Ca atoms.
DOI: 10.17188/1312219
title: Materials Data on SmH3 by Materials Project

description: SmH3 is alpha bismuth trifluoride structured and crystallizes in the cubic Fm-3m space group. The structure is three-dimensional. Sm3+ is bonded in a distorted body-centered cubic geometry to fourteen H1- atoms. There are eight shorter (2.31 Å) and six longer (2.66 Å) Sm–H bond lengths. There are two inequivalent H1- sites. In the first H1- site, H1- is bonded to four equivalent Sm3+ atoms to form HSm4 tetrahedra that share corners with twelve equivalent HSm6 octahedra, corners with sixteen equivalent HSm4 tetrahedra, edges with six equivalent HSm4 tetrahedra, and faces with four equivalent HSm6 octahedra. The corner-sharing octahedral tilt angles are 55°. In the second H1- site, H1- is bonded to six equivalent Sm3+ atoms to form HSm6 octahedra that share corners with six equivalent HSm6 octahedra, corners with twenty-four equivalent HSm4 tetrahedra, edges with twelve equivalent HSm6 octahedra, and faces with eight equivalent HSm4 tetrahedra. The corner-sharing octahedral tilt angles are 0°.
DOI: 10.17188/1312220
title: Materials Data on ScUTc2 by Materials Project

description: UScTc2 is Heusler structured and crystallizes in the cubic Fm-3m space group. The structure is three-dimensional. U3+ is bonded in a body-centered cubic geometry to eight equivalent Tc3- atoms. All U–Tc bond lengths are 2.86 Å. Sc3+ is bonded in a body-centered cubic geometry to eight equivalent Tc3- atoms. All Sc–Tc bond lengths are 2.86 Å. Tc3- is bonded in a body-centered cubic geometry to four equivalent U3+ and four equivalent Sc3+ atoms.
DOI: 10.17188/1312221
title: Materials Data on Sm2IrRu by Materials Project

description: Sm2RuIr is Heusler structured and crystallizes in the cubic Fm-3m space group. The structure is three-dimensional. Sm is bonded in a body-centered cubic geometry to four equivalent Ru and four equivalent Ir atoms. All Sm–Ru bond lengths are 3.02 Å. All Sm–Ir bond lengths are 3.02 Å. Ru is bonded in a body-centered cubic geometry to eight equivalent Sm atoms. Ir is bonded in a body-centered cubic geometry to eight equivalent Sm atoms.
DOI: 10.17188/1312222
title: Materials Data on SmZnAu2 by Materials Project

description: SmAu2Zn is Heusler structured and crystallizes in the cubic Fm-3m space group. The structure is three-dimensional. Sm is bonded in a body-centered cubic geometry to eight equivalent Au atoms. All Sm–Au bond lengths are 3.01 Å. Au is bonded in a body-centered cubic geometry to four equivalent Sm and four equivalent Zn atoms. All Au–Zn bond lengths are 3.01 Å. Zn is bonded in a body-centered cubic geometry to eight equivalent Au atoms.
DOI: 10.17188/1312223
title: Materials Data on SmYMg2 by Materials Project

description: Mg2SmY 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 four equivalent Sm and four equivalent Y atoms. All Mg–Sm bond lengths are 3.31 Å. All Mg–Y bond lengths are 3.31 Å. Sm is bonded in a body-centered cubic geometry to eight equivalent Mg atoms. Y is bonded in a body-centered cubic geometry to eight equivalent Mg atoms.
DOI: 10.17188/1312224
title: Materials Data on SmMgAg2 by Materials Project

description: MgSmAg2 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 Ag atoms. All Mg–Ag bond lengths are 3.08 Å. Sm is bonded in a body-centered cubic geometry to eight equivalent Ag atoms. All Sm–Ag bond lengths are 3.08 Å. Ag is bonded in a body-centered cubic geometry to four equivalent Mg and four equivalent Sm atoms.
DOI: 10.17188/1312225
title: Materials Data on SmCu4Ag by Materials Project

description: SmAgCu4 crystallizes in the cubic F-43m space group. The structure is three-dimensional. Sm is bonded in a 12-coordinate geometry to four equivalent Ag and twelve equivalent Cu atoms. All Sm–Ag bond lengths are 3.12 Å. All Sm–Cu bond lengths are 2.99 Å. Ag is bonded in a 4-coordinate geometry to four equivalent Sm and twelve equivalent Cu atoms. All Ag–Cu bond lengths are 2.99 Å. Cu is bonded to three equivalent Sm, three equivalent Ag, and six equivalent Cu atoms to form a mixture of corner, edge, and face-sharing CuSm3Cu6Ag3 cuboctahedra. There are three shorter (2.53 Å) and three longer (2.57 Å) Cu–Cu bond lengths.
DOI: 10.17188/1312226
title: Materials Data on ReRh3 by Materials Project

description: ReRh3 is beta Cu3Ti-like structured and crystallizes in the hexagonal P6_3/mmc space group. The structure is three-dimensional. Re is bonded to twelve equivalent Rh atoms to form ReRh12 cuboctahedra that share corners with six equivalent ReRh12 cuboctahedra, corners with twelve equivalent RhRe4Rh8 cuboctahedra, edges with eighteen equivalent RhRe4Rh8 cuboctahedra, faces with eight equivalent ReRh12 cuboctahedra, and faces with twelve equivalent RhRe4Rh8 cuboctahedra. There are six shorter (2.69 Å) and six longer (2.76 Å) Re–Rh bond lengths. Rh is bonded to four equivalent Re and eight equivalent Rh atoms to form distorted RhRe4Rh8 cuboctahedra that share corners with four equivalent ReRh12 cuboctahedra, corners with fourteen equivalent RhRe4Rh8 cuboctahedra, edges with six equivalent ReRh12 cuboctahedra, edges with twelve equivalent RhRe4Rh8 cuboctahedra, faces with four equivalent ReRh12 cuboctahedra, and faces with sixteen equivalent RhRe4Rh8 cuboctahedra. There are a spread of Rh–Rh bond distances ranging from 2.71–2.79 Å.
DOI: 10.17188/1312227
title: Materials Data on SmMgAu2 by Materials Project

description: MgSmAu2 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 Au atoms. All Mg–Au bond lengths are 3.05 Å. Sm is bonded in a body-centered cubic geometry to eight equivalent Au atoms. All Sm–Au bond lengths are 3.05 Å. Au is bonded in a body-centered cubic geometry to four equivalent Mg and four equivalent Sm atoms.
DOI: 10.17188/1312228
title: Materials Data on Sm2AgIr by Materials Project

description: Sm2IrAg is Heusler structured and crystallizes in the cubic Fm-3m space group. The structure is three-dimensional. Sm is bonded in a body-centered cubic geometry to four equivalent Ir and four equivalent Ag atoms. All Sm–Ir bond lengths are 3.11 Å. All Sm–Ag bond lengths are 3.11 Å. Ir is bonded in a body-centered cubic geometry to eight equivalent Sm atoms. Ag is bonded in a body-centered cubic geometry to eight equivalent Sm atoms.
DOI: 10.17188/1312229
title: Materials Data on Sm2AgRu by Materials Project

description: Sm2RuAg is Heusler structured and crystallizes in the cubic Fm-3m space group. The structure is three-dimensional. Sm is bonded in a body-centered cubic geometry to four equivalent Ru and four equivalent Ag atoms. All Sm–Ru bond lengths are 3.10 Å. All Sm–Ag bond lengths are 3.10 Å. Ru is bonded in a body-centered cubic geometry to eight equivalent Sm atoms. Ag is bonded in a body-centered cubic geometry to eight equivalent Sm atoms.
DOI: 10.17188/1312230
title: Materials Data on SmAl3 by Materials Project

description: Al3Sm crystallizes in the hexagonal P6_3/mmc space group. The structure is three-dimensional. Sm is bonded to twelve equivalent Al atoms to form a mixture of distorted face and corner-sharing SmAl12 cuboctahedra. There are six shorter (3.13 Å) and six longer (3.22 Å) Sm–Al bond lengths. Al is bonded in a 10-coordinate geometry to four equivalent Sm and six equivalent Al atoms. There are two shorter (2.76 Å) and four longer (2.81 Å) Al–Al bond lengths.
DOI: 10.17188/1312231
title: Materials Data on SmMgZn2 by Materials Project

description: MgSmZn2 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 3.00 Å. Sm is bonded in a body-centered cubic geometry to eight equivalent Zn atoms. All Sm–Zn bond lengths are 3.00 Å. Zn is bonded in a body-centered cubic geometry to four equivalent Mg and four equivalent Sm atoms.
DOI: 10.17188/1312232
title: Materials Data on LiCdAg2 by Materials Project

description: LiAg2Cd 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 eight equivalent Ag and six equivalent Cd atoms. All Li–Ag bond lengths are 2.87 Å. All Li–Cd bond lengths are 3.32 Å. Ag is bonded in a body-centered cubic geometry to four equivalent Li and four equivalent Cd atoms. All Ag–Cd bond lengths are 2.87 Å. Cd is bonded in a distorted body-centered cubic geometry to six equivalent Li and eight equivalent Ag atoms.
DOI: 10.17188/1312233
title: Materials Data on LiTm2Al by Materials Project

description: LiTm2Al 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 eight equivalent Tm atoms. All Li–Tm bond lengths are 3.11 Å. Tm is bonded in a body-centered cubic geometry to four equivalent Li and four equivalent Al atoms. All Tm–Al bond lengths are 3.11 Å. Al is bonded in a body-centered cubic geometry to eight equivalent Tm atoms.
DOI: 10.17188/1312234
title: Materials Data on BeVRu2 by Materials Project

description: BeVRu2 is Heusler structured and crystallizes in the cubic Fm-3m space group. The structure is three-dimensional. Be is bonded in a body-centered cubic geometry to eight equivalent Ru atoms. All Be–Ru bond lengths are 2.53 Å. V is bonded in a body-centered cubic geometry to eight equivalent Ru atoms. All V–Ru bond lengths are 2.53 Å. Ru is bonded in a body-centered cubic geometry to four equivalent Be and four equivalent V atoms.
DOI: 10.17188/1312235
title: Materials Data on SmCl3 by Materials Project

description: SmCl3 crystallizes in the hexagonal P6_3/mmc space group. The structure is one-dimensional and consists of two SmCl3 ribbons oriented in the (0, 0, 1) direction. Sm3+ is bonded to six equivalent Cl1- atoms to form distorted face-sharing SmCl6 pentagonal pyramids. All Sm–Cl bond lengths are 2.73 Å. Cl1- is bonded in an L-shaped geometry to two equivalent Sm3+ atoms.
DOI: 10.17188/1312236
title: Materials Data on SmTlAg2 by Materials Project

description: SmAg2Tl is Heusler structured and crystallizes in the cubic Fm-3m space group. The structure is three-dimensional. Sm is bonded in a body-centered cubic geometry to eight equivalent Ag atoms. All Sm–Ag bond lengths are 3.10 Å. Ag is bonded in a body-centered cubic geometry to four equivalent Sm and four equivalent Tl atoms. All Ag–Tl bond lengths are 3.10 Å. Tl is bonded in a distorted body-centered cubic geometry to eight equivalent Ag atoms.
DOI: 10.17188/1312237
title: Materials Data on LiCdAu2 by Materials Project

description: LiAu2Cd 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 eight equivalent Au atoms. All Li–Au bond lengths are 2.86 Å. Au is bonded in a body-centered cubic geometry to four equivalent Li and four equivalent Cd atoms. All Au–Cd bond lengths are 2.86 Å. Cd is bonded in a body-centered cubic geometry to eight equivalent Au atoms.
DOI: 10.17188/1312239
title: Materials Data on SmHg3 by Materials Project

description: SmHg3 crystallizes in the hexagonal P6_3/mmc space group. The structure is three-dimensional. Sm is bonded to twelve equivalent Hg atoms to form a mixture of corner and face-sharing SmHg12 cuboctahedra. There are six shorter (3.21 Å) and six longer (3.39 Å) Sm–Hg bond lengths. Hg is bonded in a 4-coordinate geometry to four equivalent Sm atoms.
DOI: 10.17188/1312240
title: Materials Data on La2TlCd by Materials Project

description: La2CdTl is Heusler structured and crystallizes in the cubic Fm-3m space group. The structure is three-dimensional. La is bonded in a body-centered cubic geometry to four equivalent Cd and four equivalent Tl atoms. All La–Cd bond lengths are 3.44 Å. All La–Tl bond lengths are 3.44 Å. Cd is bonded in a body-centered cubic geometry to eight equivalent La atoms. Tl is bonded in a body-centered cubic geometry to eight equivalent La atoms.