cometadata/datacite-titles-descriptions-related-identifiers huggingface dataset:
DOI: 10.17188/1309223
title: Materials Data on Tc3Pd by Materials Project

description: Tc3Pd is beta Cu3Ti-like structured and crystallizes in the hexagonal P6_3/mmc space group. The structure is three-dimensional. there are three inequivalent Tc+0.67- sites. In the first Tc+0.67- site, Tc+0.67- is bonded to eight Tc+0.67- and four equivalent Pd2+ atoms to form distorted TcTc8Pd4 cuboctahedra that share corners with four equivalent PdTc12 cuboctahedra, corners with fourteen TcTc8Pd4 cuboctahedra, edges with six equivalent PdTc12 cuboctahedra, edges with twelve TcTc8Pd4 cuboctahedra, faces with four equivalent PdTc12 cuboctahedra, and faces with sixteen TcTc8Pd4 cuboctahedra. There are a spread of Tc–Tc bond distances ranging from 2.64–2.91 Å. There are two shorter (2.77 Å) and two longer (2.78 Å) Tc–Pd bond lengths. In the second Tc+0.67- site, Tc+0.67- is bonded to eight equivalent Tc+0.67- and four equivalent Pd2+ atoms to form distorted TcTc8Pd4 cuboctahedra that share corners with four equivalent PdTc12 cuboctahedra, corners with fourteen TcTc8Pd4 cuboctahedra, edges with six equivalent PdTc12 cuboctahedra, edges with twelve equivalent TcTc8Pd4 cuboctahedra, faces with four equivalent PdTc12 cuboctahedra, and faces with sixteen TcTc8Pd4 cuboctahedra. There are two shorter (2.77 Å) and two longer (2.78 Å) Tc–Pd bond lengths. In the third Tc+0.67- site, Tc+0.67- is bonded to eight equivalent Tc+0.67- and four equivalent Pd2+ atoms to form distorted TcTc8Pd4 cuboctahedra that share corners with four equivalent PdTc12 cuboctahedra, corners with fourteen TcTc8Pd4 cuboctahedra, edges with six equivalent PdTc12 cuboctahedra, edges with twelve equivalent TcTc8Pd4 cuboctahedra, faces with four equivalent PdTc12 cuboctahedra, and faces with sixteen TcTc8Pd4 cuboctahedra. There are two shorter (2.77 Å) and two longer (2.78 Å) Tc–Pd bond lengths. Pd2+ is bonded to twelve Tc+0.67- atoms to form PdTc12 cuboctahedra that share corners with six equivalent PdTc12 cuboctahedra, corners with twelve TcTc8Pd4 cuboctahedra, edges with eighteen TcTc8Pd4 cuboctahedra, faces with eight equivalent PdTc12 cuboctahedra, and faces with twelve TcTc8Pd4 cuboctahedra.
DOI: 10.17188/1309224
title: Materials Data on LiSc2Ir by Materials Project

description: LiSc2Ir 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 eight equivalent Sc and six equivalent Ir atoms. All Li–Sc bond lengths are 2.84 Å. All Li–Ir bond lengths are 3.28 Å. Sc is bonded in a body-centered cubic geometry to four equivalent Li and four equivalent Ir atoms. All Sc–Ir bond lengths are 2.84 Å. Ir is bonded in a distorted body-centered cubic geometry to six equivalent Li and eight equivalent Sc atoms.
DOI: 10.17188/1309225
title: Materials Data on LaHgAu2 by Materials Project

description: LaAu2Hg 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 3.14 Å. Au is bonded in a body-centered cubic geometry to four equivalent La and four equivalent Hg atoms. All Au–Hg bond lengths are 3.14 Å. Hg is bonded in a distorted body-centered cubic geometry to eight equivalent Au atoms.
DOI: 10.17188/1309226
title: Materials Data on BaBiBS4 by Materials Project

description: BaBBiS4 crystallizes in the monoclinic C2/m space group. The structure is three-dimensional. Ba2+ is bonded in a 9-coordinate geometry to nine S2- atoms. There are a spread of Ba–S bond distances ranging from 3.27–3.50 Å. B3+ is bonded in a trigonal planar geometry to three S2- atoms. There is one shorter (1.80 Å) and two longer (1.81 Å) B–S bond length. Bi3+ is bonded in a 5-coordinate geometry to five S2- atoms. There are a spread of Bi–S bond distances ranging from 2.54–3.18 Å. There are three inequivalent S2- sites. In the first S2- site, S2- is bonded in a distorted single-bond geometry to two equivalent Ba2+, one B3+, and two equivalent Bi3+ atoms. In the second S2- site, S2- is bonded in a distorted single-bond geometry to two equivalent Ba2+, one B3+, and one Bi3+ atom. In the third S2- site, S2- is bonded to three equivalent Ba2+ and one Bi3+ atom to form a mixture of distorted edge and corner-sharing SBa3Bi trigonal pyramids.
DOI: 10.17188/1309227
title: Materials Data on TiZnPt2 by Materials Project

description: TiPt2Zn is Heusler structured and crystallizes in the cubic Fm-3m space group. The structure is three-dimensional. Ti2+ is bonded in a body-centered cubic geometry to eight equivalent Pt2- atoms. All Ti–Pt bond lengths are 2.71 Å. Pt2- is bonded in a body-centered cubic geometry to four equivalent Ti2+ and four equivalent Zn2+ atoms. All Pt–Zn bond lengths are 2.71 Å. Zn2+ is bonded in a body-centered cubic geometry to eight equivalent Pt2- atoms.
DOI: 10.17188/1309228
title: Materials Data on LaZn4 by Materials Project

description: LaZn4 crystallizes in the orthorhombic Cmcm space group. The structure is three-dimensional. La is bonded in a 6-coordinate geometry to seventeen Zn atoms. There are a spread of La–Zn bond distances ranging from 3.26–3.55 Å. There are three inequivalent Zn sites. In the first Zn site, Zn is bonded in a 11-coordinate geometry to four equivalent La and seven Zn atoms. There are a spread of Zn–Zn bond distances ranging from 2.56–3.04 Å. In the second Zn site, Zn is bonded in a 9-coordinate geometry to four equivalent La and five Zn atoms. The Zn–Zn bond length is 2.50 Å. In the third Zn site, Zn is bonded in a 10-coordinate geometry to five equivalent La and five Zn atoms.
DOI: 10.17188/1309229
title: Materials Data on LiLaHg2 by Materials Project

description: LiLaHg2 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 Hg atoms. All Li–Hg bond lengths are 3.21 Å. La is bonded in a body-centered cubic geometry to eight equivalent Hg atoms. All La–Hg bond lengths are 3.21 Å. Hg is bonded in a body-centered cubic geometry to four equivalent Li and four equivalent La atoms.
DOI: 10.17188/1309230
title: Materials Data on LiZnAg2 by Materials Project

description: LiAg2Zn 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 atoms. All Li–Ag bond lengths are 2.75 Å. Ag is bonded in a body-centered cubic geometry to four equivalent Li and four equivalent Zn atoms. All Ag–Zn bond lengths are 2.75 Å. Zn is bonded in a body-centered cubic geometry to eight equivalent Ag atoms.
DOI: 10.17188/1309231
title: Materials Data on Tc3Rh by Materials Project

description: Tc3Rh is beta Cu3Ti-like structured and crystallizes in the hexagonal P6_3/mmc space group. The structure is three-dimensional. there are two inequivalent Tc1- sites. In the first Tc1- site, Tc1- is bonded to eight equivalent Tc1- and four equivalent Rh3+ atoms to form distorted TcTc8Rh4 cuboctahedra that share corners with four equivalent RhTc12 cuboctahedra, corners with fourteen equivalent TcTc8Rh4 cuboctahedra, edges with six equivalent RhTc12 cuboctahedra, edges with twelve equivalent TcTc8Rh4 cuboctahedra, faces with four equivalent RhTc12 cuboctahedra, and faces with sixteen TcTc8Rh4 cuboctahedra. There are six shorter (2.67 Å) and two longer (2.86 Å) Tc–Tc bond lengths. There are two shorter (2.74 Å) and two longer (2.76 Å) Tc–Rh bond lengths. In the second Tc1- site, Tc1- is bonded to eight equivalent Tc1- and four equivalent Rh3+ atoms to form distorted TcTc8Rh4 cuboctahedra that share corners with four equivalent RhTc12 cuboctahedra, corners with fourteen TcTc8Rh4 cuboctahedra, edges with six equivalent RhTc12 cuboctahedra, edges with twelve equivalent TcTc8Rh4 cuboctahedra, faces with four equivalent RhTc12 cuboctahedra, and faces with sixteen TcTc8Rh4 cuboctahedra. There are six shorter (2.67 Å) and two longer (2.86 Å) Tc–Tc bond lengths. There are two shorter (2.74 Å) and two longer (2.76 Å) Tc–Rh bond lengths. Rh3+ is bonded to twelve Tc1- atoms to form RhTc12 cuboctahedra that share corners with six equivalent RhTc12 cuboctahedra, corners with twelve TcTc8Rh4 cuboctahedra, edges with eighteen TcTc8Rh4 cuboctahedra, faces with eight equivalent RhTc12 cuboctahedra, and faces with twelve TcTc8Rh4 cuboctahedra.
DOI: 10.17188/1309232
title: Materials Data on Ti2AlMo by Materials Project

description: Ti2MoAl 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 four equivalent Mo and four equivalent Al atoms. All Ti–Mo bond lengths are 2.75 Å. All Ti–Al bond lengths are 2.75 Å. Mo is bonded in a distorted body-centered cubic geometry to eight equivalent Ti and six equivalent Al atoms. All Mo–Al bond lengths are 3.18 Å. Al is bonded in a 8-coordinate geometry to eight equivalent Ti and six equivalent Mo atoms.
DOI: 10.17188/1309233
title: Materials Data on Er2TlCd by Materials Project

description: Er2CdTl 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 Cd and four equivalent Tl atoms. All Er–Cd bond lengths are 3.24 Å. All Er–Tl bond lengths are 3.24 Å. Cd is bonded in a body-centered cubic geometry to eight equivalent Er atoms. Tl is bonded in a body-centered cubic geometry to eight equivalent Er atoms.
DOI: 10.17188/1309234
title: Materials Data on LiMnPd2 by Materials Project

description: LiMnPd2 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 Pd atoms. All Li–Pd bond lengths are 2.66 Å. Mn is bonded in a distorted body-centered cubic geometry to eight equivalent Pd atoms. All Mn–Pd bond lengths are 2.66 Å. Pd is bonded in a body-centered cubic geometry to four equivalent Li and four equivalent Mn atoms.
DOI: 10.17188/1309235
title: Materials Data on Tc3Ru by Materials Project

description: Tc3Ru is beta Cu3Ti-like structured and crystallizes in the hexagonal P6_3/mmc space group. The structure is three-dimensional. there are two inequivalent Tc+1.67- sites. In the first Tc+1.67- site, Tc+1.67- is bonded to eight equivalent Tc+1.67- and four equivalent Ru5+ atoms to form distorted TcTc8Ru4 cuboctahedra that share corners with four equivalent RuTc12 cuboctahedra, corners with fourteen equivalent TcTc8Ru4 cuboctahedra, edges with six equivalent RuTc12 cuboctahedra, edges with twelve equivalent TcTc8Ru4 cuboctahedra, faces with four equivalent RuTc12 cuboctahedra, and faces with sixteen TcTc8Ru4 cuboctahedra. There are a spread of Tc–Tc bond distances ranging from 2.69–2.79 Å. There are two shorter (2.71 Å) and two longer (2.76 Å) Tc–Ru bond lengths. In the second Tc+1.67- site, Tc+1.67- is bonded to eight equivalent Tc+1.67- and four equivalent Ru5+ atoms to form distorted TcTc8Ru4 cuboctahedra that share corners with four equivalent RuTc12 cuboctahedra, corners with fourteen TcTc8Ru4 cuboctahedra, edges with six equivalent RuTc12 cuboctahedra, edges with twelve equivalent TcTc8Ru4 cuboctahedra, faces with four equivalent RuTc12 cuboctahedra, and faces with sixteen TcTc8Ru4 cuboctahedra. There are a spread of Tc–Tc bond distances ranging from 2.69–2.79 Å. There are two shorter (2.71 Å) and two longer (2.76 Å) Tc–Ru bond lengths. Ru5+ is bonded to twelve Tc+1.67- atoms to form RuTc12 cuboctahedra that share corners with six equivalent RuTc12 cuboctahedra, corners with twelve TcTc8Ru4 cuboctahedra, edges with eighteen TcTc8Ru4 cuboctahedra, faces with eight equivalent RuTc12 cuboctahedra, and faces with twelve TcTc8Ru4 cuboctahedra.
DOI: 10.17188/1309236
title: Materials Data on Er2ZnOs by Materials Project

description: Er2OsZn 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 Os and four equivalent Zn atoms. All Er–Os bond lengths are 2.98 Å. All Er–Zn bond lengths are 2.98 Å. Os is bonded in a body-centered cubic geometry to eight equivalent Er atoms. Zn is bonded in a body-centered cubic geometry to eight equivalent Er atoms.
DOI: 10.17188/1309237
title: Materials Data on Ti2AlTc by Materials Project

description: Ti2TcAl 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 Tc and four equivalent Al atoms. All Ti–Tc bond lengths are 2.72 Å. All Ti–Al bond lengths are 2.72 Å. Tc is bonded in a distorted body-centered cubic geometry to eight equivalent Ti and six equivalent Al atoms. All Tc–Al bond lengths are 3.14 Å. Al is bonded in a distorted body-centered cubic geometry to eight equivalent Ti and six equivalent Tc atoms.
DOI: 10.17188/1309238
title: Materials Data on Ti2CoIr by Materials Project

description: Ti2IrCo 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 Co atoms. All Ti–Ir bond lengths are 2.65 Å. All Ti–Co bond lengths are 2.65 Å. Ir is bonded in a body-centered cubic geometry to eight equivalent Ti atoms. Co is bonded in a distorted body-centered cubic geometry to eight equivalent Ti atoms.
DOI: 10.17188/1309239
title: Materials Data on Ti2AlRe by Materials Project

description: Ti2AlRe 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 Al atoms. All Ti–Re bond lengths are 2.72 Å. All Ti–Al bond lengths are 2.72 Å. Re is bonded in a distorted body-centered cubic geometry to eight equivalent Ti and six equivalent Al atoms. All Re–Al bond lengths are 3.14 Å. Al is bonded in a distorted body-centered cubic geometry to eight equivalent Ti and six equivalent Re atoms.
DOI: 10.17188/1309240
title: Materials Data on Ti2CoRe by Materials Project

description: Ti2ReCo 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 Co atoms. All Ti–Re bond lengths are 2.65 Å. All Ti–Co bond lengths are 2.65 Å. Re is bonded in a body-centered cubic geometry to eight equivalent Ti atoms. Co is bonded in a body-centered cubic geometry to eight equivalent Ti atoms.
DOI: 10.17188/1309241
title: Materials Data on CaLaMg2 by Materials Project

description: CaMg2La 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 Mg atoms. All Ca–Mg bond lengths are 3.43 Å. Mg is bonded in a body-centered cubic geometry to four equivalent Ca and four equivalent La atoms. All Mg–La bond lengths are 3.43 Å. La is bonded in a body-centered cubic geometry to eight equivalent Mg atoms.
DOI: 10.17188/1309242
title: Materials Data on ThCdPt2 by Materials Project

description: ThPt2Cd 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 Pt atoms. All Th–Pt bond lengths are 3.03 Å. Pt is bonded in a body-centered cubic geometry to four equivalent Th and four equivalent Cd atoms. All Pt–Cd bond lengths are 3.03 Å. Cd is bonded in a body-centered cubic geometry to eight equivalent Pt atoms.
DOI: 10.17188/1309243
title: Materials Data on Ca2MgTl by Materials Project

description: Ca2MgTl 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 Mg and four equivalent Tl atoms. All Ca–Mg bond lengths are 3.38 Å. All Ca–Tl bond lengths are 3.38 Å. Mg 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: 10.17188/1309244
title: Materials Data on ThCdRh2 by Materials Project

description: ThRh2Cd 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 Rh atoms. All Th–Rh bond lengths are 2.96 Å. Rh is bonded in a body-centered cubic geometry to four equivalent Th and four equivalent Cd atoms. All Rh–Cd bond lengths are 2.96 Å. Cd is bonded in a body-centered cubic geometry to eight equivalent Rh atoms.
DOI: 10.17188/1309245
title: Materials Data on Li2PdPb by Materials Project

description: Li2PdPb 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 Pb atoms. All Li–Pd bond lengths are 2.79 Å. All Li–Pb bond lengths are 2.79 Å. Pd is bonded in a body-centered cubic geometry to eight equivalent Li atoms. Pb is bonded in a body-centered cubic geometry to eight equivalent Li atoms.
DOI: 10.17188/1309246
title: Materials Data on LiLuPt2 by Materials Project

description: LiLuPt2 is Heusler structured and crystallizes in the cubic Fm-3m space group. The structure is three-dimensional. Li1+ is bonded in a body-centered cubic geometry to eight equivalent Pt2- atoms. All Li–Pt bond lengths are 2.82 Å. Lu3+ is bonded in a body-centered cubic geometry to eight equivalent Pt2- atoms. All Lu–Pt bond lengths are 2.82 Å. Pt2- is bonded in a body-centered cubic geometry to four equivalent Li1+ and four equivalent Lu3+ atoms.
DOI: 10.17188/1309247
title: Materials Data on ThH3 by Materials Project

description: ThH3 is alpha bismuth trifluoride structured and crystallizes in the tetragonal I4/mmm space group. The structure is three-dimensional. Th is bonded to twelve H atoms to form a mixture of edge, corner, and face-sharing ThH12 cuboctahedra. There are eight shorter (2.41 Å) and four longer (2.49 Å) Th–H bond lengths. There are two inequivalent H sites. In the first H site, H is bonded to four equivalent Th atoms to form a mixture of distorted edge and corner-sharing HTh4 tetrahedra. In the second H site, H is bonded in a square co-planar geometry to four equivalent Th atoms.
DOI: 10.17188/1309248
title: Materials Data on HoInPd2 by Materials Project

description: Pd2HoIn is Heusler structured and crystallizes in the cubic Fm-3m space group. The structure is three-dimensional. Ho is bonded in a body-centered cubic geometry to eight equivalent Pd atoms. All Ho–Pd bond lengths are 2.94 Å. Pd is bonded in a body-centered cubic geometry to four equivalent Ho and four equivalent In atoms. All Pd–In bond lengths are 2.94 Å. In is bonded in a distorted body-centered cubic geometry to eight equivalent Pd atoms.
DOI: 10.17188/1309249
title: Materials Data on Ti2CrIr by Materials Project

description: Ti2CrIr 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 Cr and four equivalent Ir atoms. All Ti–Cr bond lengths are 2.66 Å. All Ti–Ir bond lengths are 2.66 Å. Cr is bonded in a distorted body-centered cubic geometry to eight equivalent Ti and six equivalent Ir atoms. All Cr–Ir bond lengths are 3.07 Å. Ir is bonded in a body-centered cubic geometry to eight equivalent Ti and six equivalent Cr atoms.
DOI: 10.17188/1309250
title: Materials Data on Li2PrAl by Materials Project

description: Li2PrAl 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 Pr and four equivalent Al atoms. All Li–Pr bond lengths are 2.99 Å. All Li–Al bond lengths are 2.99 Å. Pr is bonded in a distorted body-centered cubic geometry to eight equivalent Li and six equivalent Al atoms. All Pr–Al bond lengths are 3.45 Å. Al is bonded in a body-centered cubic geometry to eight equivalent Li and six equivalent Pr atoms.
DOI: 10.17188/1309251
title: Materials Data on LiMnPt2 by Materials Project

description: LiMnPt2 is Heusler structured and crystallizes in the cubic Fm-3m space group. The structure is three-dimensional. Li1+ is bonded in a body-centered cubic geometry to eight equivalent Pt2- atoms. All Li–Pt bond lengths are 2.63 Å. Mn3+ is bonded in a body-centered cubic geometry to eight equivalent Pt2- atoms. All Mn–Pt bond lengths are 2.63 Å. Pt2- is bonded in a body-centered cubic geometry to four equivalent Li1+ and four equivalent Mn3+ atoms.
DOI: 10.17188/1309252
title: Materials Data on LiNdHg2 by Materials Project

description: LiNdHg2 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 Hg atoms. All Li–Hg bond lengths are 3.16 Å. Nd is bonded in a body-centered cubic geometry to eight equivalent Hg atoms. All Nd–Hg bond lengths are 3.16 Å. Hg is bonded in a body-centered cubic geometry to four equivalent Li and four equivalent Nd atoms.
DOI: 10.17188/1309253
title: Materials Data on LiPr2Ru by Materials Project

description: LiPr2Ru 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 Pr atoms. All Li–Pr bond lengths are 3.12 Å. Pr is bonded in a distorted body-centered cubic geometry to four equivalent Li and four equivalent Ru atoms. All Pr–Ru bond lengths are 3.12 Å. Ru is bonded in a body-centered cubic geometry to eight equivalent Pr atoms.
DOI: 10.17188/1309254
title: Materials Data on CaZrRh2 by Materials Project

description: CaZrRh2 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 Rh atoms. All Ca–Rh bond lengths are 2.90 Å. Zr is bonded in a body-centered cubic geometry to eight equivalent Rh atoms. All Zr–Rh bond lengths are 2.90 Å. Rh is bonded in a body-centered cubic geometry to four equivalent Ca and four equivalent Zr atoms.
DOI: 10.17188/1309255
title: Materials Data on LiRh2Pb by Materials Project

description: LiRh2Pb 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 eight equivalent Rh and six equivalent Pb atoms. All Li–Rh bond lengths are 2.75 Å. All Li–Pb bond lengths are 3.17 Å. Rh is bonded in a distorted body-centered cubic geometry to four equivalent Li and four equivalent Pb atoms. All Rh–Pb bond lengths are 2.75 Å. Pb is bonded in a 8-coordinate geometry to six equivalent Li and eight equivalent Rh atoms.
DOI: 10.17188/1309256
title: Materials Data on LiTmAu2 by Materials Project

description: LiTmAu2 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 2.95 Å. Tm is bonded in a body-centered cubic geometry to eight equivalent Au atoms. All Tm–Au bond lengths are 2.95 Å. Au is bonded in a body-centered cubic geometry to four equivalent Li and four equivalent Tm atoms.
DOI: 10.17188/1309257
title: Materials Data on LiTmIn2 by Materials Project

description: LiTmIn2 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 In atoms. All Li–In bond lengths are 3.13 Å. Tm is bonded in a body-centered cubic geometry to eight equivalent In atoms. All Tm–In bond lengths are 3.13 Å. In is bonded in a body-centered cubic geometry to four equivalent Li and four equivalent Tm atoms.