cometadata/datacite-titles-descriptions-related-identifiers huggingface dataset:
DOI: 10.17188/1191763
title: Materials Data on Zr3Hg by Materials Project

description: Zr3Hg crystallizes in the cubic Pm-3n space group. The structure is three-dimensional. Zr is bonded in a 6-coordinate geometry to two equivalent Zr and four equivalent Hg atoms. Both Zr–Zr bond lengths are 2.80 Å. All Zr–Hg bond lengths are 3.14 Å. Hg is bonded to twelve equivalent Zr atoms to form a mixture of face and edge-sharing HgZr12 cuboctahedra.
DOI: 10.17188/1191765
title: Materials Data on YPPt by Materials Project

description: YPtP is hexagonal omega structure-derived structured and crystallizes in the hexagonal P-6m2 space group. The structure is three-dimensional. Y3+ is bonded to six equivalent Pt2- and six equivalent P1- atoms to form a mixture of edge and face-sharing YP6Pt6 cuboctahedra. All Y–Pt bond lengths are 3.09 Å. All Y–P bond lengths are 3.09 Å. Pt2- is bonded in a 9-coordinate geometry to six equivalent Y3+ and three equivalent P1- atoms. All Pt–P bond lengths are 2.39 Å. P1- is bonded in a 9-coordinate geometry to six equivalent Y3+ and three equivalent Pt2- atoms.
DOI: 10.17188/1191766
title: Materials Data on ScPRu by Materials Project

description: ScRuP crystallizes in the hexagonal P-62m space group. The structure is three-dimensional. Sc is bonded in a 11-coordinate geometry to six equivalent Ru and five P atoms. There are two shorter (2.91 Å) and four longer (2.97 Å) Sc–Ru bond lengths. There are four shorter (2.69 Å) and one longer (2.70 Å) Sc–P bond lengths. Ru is bonded in a 12-coordinate geometry to six equivalent Sc, two equivalent Ru, and four P atoms. Both Ru–Ru bond lengths are 2.78 Å. There are two shorter (2.43 Å) and two longer (2.53 Å) Ru–P bond lengths. There are two inequivalent P sites. In the first P site, P is bonded in a 9-coordinate geometry to six equivalent Sc and three equivalent Ru atoms. In the second P site, P is bonded in a 9-coordinate geometry to three equivalent Sc and six equivalent Ru atoms.
DOI: 10.17188/1191767
title: Materials Data on Sr2MgIrO6 by Materials Project

description: Sr2MgIrO6 is (Cubic) Perovskite-derived structured and crystallizes in the cubic Fm-3m space group. The structure is three-dimensional. Sr is bonded to twelve equivalent O atoms to form SrO12 cuboctahedra that share corners with twelve equivalent SrO12 cuboctahedra, faces with six equivalent SrO12 cuboctahedra, faces with four equivalent MgO6 octahedra, and faces with four equivalent IrO6 octahedra. All Sr–O bond lengths are 2.82 Å. Mg is bonded to six equivalent O atoms to form MgO6 octahedra that share corners with six equivalent IrO6 octahedra and faces with eight equivalent SrO12 cuboctahedra. The corner-sharing octahedral tilt angles are 0°. All Mg–O bond lengths are 2.04 Å. Ir is bonded to six equivalent O atoms to form IrO6 octahedra that share corners with six equivalent MgO6 octahedra and faces with eight equivalent SrO12 cuboctahedra. The corner-sharing octahedral tilt angles are 0°. All Ir–O bond lengths are 1.94 Å. O is bonded in a distorted linear geometry to four equivalent Sr, one Mg, and one Ir atom.
DOI: 10.17188/1191768
title: Materials Data on TbSbPt by Materials Project

description: TbPtSb is half-Heusler structured and crystallizes in the cubic F-43m space group. The structure is three-dimensional. Tb3+ is bonded to four equivalent Pt2- and six equivalent Sb1- atoms to form a mixture of distorted corner and face-sharing TbSb6Pt4 tetrahedra. All Tb–Pt bond lengths are 2.87 Å. All Tb–Sb bond lengths are 3.32 Å. Pt2- is bonded in a body-centered cubic geometry to four equivalent Tb3+ and four equivalent Sb1- atoms. All Pt–Sb bond lengths are 2.87 Å. Sb1- is bonded in a 10-coordinate geometry to six equivalent Tb3+ and four equivalent Pt2- atoms.
DOI: 10.17188/1191769
title: Materials Data on TmSbPt by Materials Project

description: TmPtSb is half-Heusler structured and crystallizes in the cubic F-43m space group. The structure is three-dimensional. Tm3+ is bonded to four equivalent Pt2- and six equivalent Sb1- atoms to form a mixture of distorted corner and face-sharing TmSb6Pt4 tetrahedra. All Tm–Pt bond lengths are 2.84 Å. All Tm–Sb bond lengths are 3.28 Å. Pt2- is bonded in a body-centered cubic geometry to four equivalent Tm3+ and four equivalent Sb1- atoms. All Pt–Sb bond lengths are 2.84 Å. Sb1- is bonded in a 10-coordinate geometry to six equivalent Tm3+ and four equivalent Pt2- atoms.
DOI: 10.17188/1191770
title: Materials Data on GePt3 by Materials Project

description: Pt3Ge crystallizes in the monoclinic C2/m space group. The structure is three-dimensional. there are three inequivalent Pt+0.67- sites. In the first Pt+0.67- site, Pt+0.67- is bonded in a distorted water-like geometry to four equivalent Pt+0.67- and two equivalent Ge2+ atoms. All Pt–Pt bond lengths are 2.85 Å. Both Pt–Ge bond lengths are 2.54 Å. In the second Pt+0.67- site, Pt+0.67- is bonded to eight Pt+0.67- and four equivalent Ge2+ atoms to form a mixture of distorted corner and face-sharing PtGe4Pt8 cuboctahedra. All Pt–Pt bond lengths are 2.85 Å. All Pt–Ge bond lengths are 2.80 Å. In the third Pt+0.67- site, Pt+0.67- is bonded in a distorted water-like geometry to four equivalent Pt+0.67- and two equivalent Ge2+ atoms. There are one shorter (2.53 Å) and one longer (2.54 Å) Pt–Ge bond lengths. Ge2+ is bonded in a 12-coordinate geometry to eight Pt+0.67- atoms.
DOI: 10.17188/1191771
title: Materials Data on Co5As2 by Materials Project

description: Co5As2 crystallizes in the hexagonal P6_3cm space group. The structure is three-dimensional. there are six inequivalent Co+1.20+ sites. In the first Co+1.20+ site, Co+1.20+ is bonded to four As3- atoms to form CoAs4 tetrahedra that share corners with three equivalent CoAs5 square pyramids, corners with twelve CoAs4 tetrahedra, edges with three equivalent CoAs5 square pyramids, and edges with three equivalent CoAs4 tetrahedra. There are three shorter (2.39 Å) and one longer (2.50 Å) Co–As bond lengths. In the second Co+1.20+ site, Co+1.20+ is bonded to four As3- atoms to form CoAs4 tetrahedra that share corners with six equivalent CoAs5 square pyramids, corners with twelve CoAs4 tetrahedra, edges with three equivalent CoAs5 square pyramids, and edges with three equivalent CoAs4 tetrahedra. There are three shorter (2.44 Å) and one longer (2.53 Å) Co–As bond lengths. In the third Co+1.20+ site, Co+1.20+ is bonded in a distorted trigonal non-coplanar geometry to three As3- atoms. There are two shorter (2.41 Å) and one longer (2.42 Å) Co–As bond lengths. In the fourth Co+1.20+ site, Co+1.20+ is bonded to four As3- atoms to form CoAs4 tetrahedra that share corners with seven equivalent CoAs5 square pyramids, corners with twelve CoAs4 tetrahedra, an edgeedge with one CoAs5 square pyramid, and edges with five CoAs4 tetrahedra. There are a spread of Co–As bond distances ranging from 2.35–2.57 Å. In the fifth Co+1.20+ site, Co+1.20+ is bonded to four As3- atoms to form CoAs4 tetrahedra that share corners with two equivalent CoAs5 square pyramids, corners with fourteen CoAs4 tetrahedra, edges with two equivalent CoAs5 square pyramids, edges with four CoAs4 tetrahedra, and a faceface with one CoAs5 square pyramid. There are a spread of Co–As bond distances ranging from 2.29–2.40 Å. In the sixth Co+1.20+ site, Co+1.20+ is bonded to five As3- atoms to form distorted CoAs5 square pyramids that share corners with two equivalent CoAs5 square pyramids, corners with fourteen CoAs4 tetrahedra, edges with four equivalent CoAs5 square pyramids, edges with six CoAs4 tetrahedra, and a faceface with one CoAs4 tetrahedra. There are a spread of Co–As bond distances ranging from 2.35–2.71 Å. There are three inequivalent As3- sites. In the first As3- site, As3- is bonded in a 10-coordinate geometry to ten Co+1.20+ atoms. In the second As3- site, As3- is bonded in a 10-coordinate geometry to ten Co+1.20+ atoms. In the third As3- site, As3- is bonded in a 10-coordinate geometry to ten Co+1.20+ atoms.
DOI: 10.17188/1191772
title: Materials Data on Si5Pt12 by Materials Project

description: Pt12Si5 crystallizes in the tetragonal I4/m space group. The structure is three-dimensional. there are two inequivalent Pt+1.67- sites. In the first Pt+1.67- site, Pt+1.67- is bonded in a 12-coordinate geometry to four Si4+ atoms. There are a spread of Pt–Si bond distances ranging from 2.42–2.85 Å. In the second Pt+1.67- site, Pt+1.67- is bonded in a 2-coordinate geometry to four equivalent Si4+ atoms. There are a spread of Pt–Si bond distances ranging from 2.43–2.86 Å. There are two inequivalent Si4+ sites. In the first Si4+ site, Si4+ is bonded in a 10-coordinate geometry to ten Pt+1.67- atoms. In the second Si4+ site, Si4+ is bonded in a body-centered cubic geometry to eight equivalent Pt+1.67- atoms.
DOI: 10.17188/1191773
title: Materials Data on RbTiS2 by Materials Project

description: RbTiS2 crystallizes in the trigonal R3m space group. The structure is three-dimensional. Rb1+ is bonded in a 6-coordinate geometry to six S2- atoms. There are three shorter (3.22 Å) and three longer (3.28 Å) Rb–S bond lengths. Ti3+ is bonded to six S2- atoms to form edge-sharing TiS6 octahedra. There are three shorter (2.52 Å) and three longer (2.53 Å) Ti–S bond lengths. There are two inequivalent S2- sites. In the first S2- site, S2- is bonded in a 6-coordinate geometry to three equivalent Rb1+ and three equivalent Ti3+ atoms. In the second S2- site, S2- is bonded to three equivalent Rb1+ and three equivalent Ti3+ atoms to form distorted edge-sharing SRb3Ti3 octahedra.
DOI: 10.17188/1191774
title: Materials Data on Rb3Sb by Materials Project

description: Rb3Sb is Sodium arsenide structured and crystallizes in the hexagonal P6_3/mmc space group. The structure is three-dimensional. there are two inequivalent Rb1+ sites. In the first Rb1+ site, Rb1+ is bonded in a trigonal planar geometry to three equivalent Sb3- atoms. All Rb–Sb bond lengths are 3.71 Å. In the second Rb1+ site, Rb1+ is bonded in a 1-coordinate geometry to four equivalent Sb3- atoms. There are one shorter (3.77 Å) and three longer (4.18 Å) Rb–Sb bond lengths. Sb3- is bonded to eleven Rb1+ atoms to form a mixture of distorted edge and face-sharing SbRb11 trigonal bipyramids.
DOI: 10.17188/1191775
title: Materials Data on NdB4 by Materials Project

description: NdB4 crystallizes in the tetragonal P4/mbm space group. The structure is three-dimensional. Nd is bonded in a 8-coordinate geometry to eighteen B atoms. There are a spread of Nd–B bond distances ranging from 2.78–3.12 Å. There are three inequivalent B sites. In the first B site, B is bonded in a 9-coordinate geometry to four equivalent Nd and five B atoms. There are a spread of B–B bond distances ranging from 1.76–1.83 Å. In the second B site, B is bonded in a distorted trigonal planar geometry to six equivalent Nd and three B atoms. The B–B bond length is 1.80 Å. In the third B site, B is bonded in a 9-coordinate geometry to four equivalent Nd and five B atoms. The B–B bond length is 1.69 Å.
DOI: 10.17188/1191776
title: Materials Data on MnCu2Sb by Materials Project

description: MnCu2Sb is Heusler structured and crystallizes in the cubic Fm-3m space group. The structure is three-dimensional. Mn is bonded in a distorted body-centered cubic geometry to eight equivalent Cu and six equivalent Sb atoms. All Mn–Cu bond lengths are 2.73 Å. All Mn–Sb bond lengths are 3.15 Å. Cu is bonded in a body-centered cubic geometry to four equivalent Mn and four equivalent Sb atoms. All Cu–Sb bond lengths are 2.73 Å. Sb is bonded in a distorted body-centered cubic geometry to six equivalent Mn and eight equivalent Cu atoms.
DOI: 10.17188/1191777
title: Materials Data on SrCuP by Materials Project

description: SrCuP crystallizes in the hexagonal P6_3/mmc space group. The structure is three-dimensional. Sr2+ is bonded to six equivalent P3- atoms to form a mixture of edge, face, and corner-sharing SrP6 octahedra. The corner-sharing octahedral tilt angles are 44°. All Sr–P bond lengths are 3.20 Å. Cu1+ is bonded in a trigonal planar geometry to three equivalent P3- atoms. All Cu–P bond lengths are 2.38 Å. P3- is bonded in a 3-coordinate geometry to six equivalent Sr2+ and three equivalent Cu1+ atoms.
DOI: 10.17188/1191816
title: Materials Data on DyPPt by Materials Project

description: DyPtP is hexagonal omega structure-derived structured and crystallizes in the hexagonal P-6m2 space group. The structure is three-dimensional. Dy3+ is bonded to six equivalent Pt2- and six equivalent P1- atoms to form a mixture of edge and face-sharing DyP6Pt6 cuboctahedra. All Dy–Pt bond lengths are 3.08 Å. All Dy–P bond lengths are 3.08 Å. Pt2- is bonded in a 9-coordinate geometry to six equivalent Dy3+ and three equivalent P1- atoms. All Pt–P bond lengths are 2.39 Å. P1- is bonded in a 9-coordinate geometry to six equivalent Dy3+ and three equivalent Pt2- atoms.
DOI: 10.17188/1191817
title: Materials Data on DySbPt by Materials Project

description: DyPtSb is half-Heusler structured and crystallizes in the cubic F-43m space group. The structure is three-dimensional. Dy3+ is bonded to four equivalent Pt2- and six equivalent Sb1- atoms to form a mixture of distorted corner and face-sharing DySb6Pt4 tetrahedra. All Dy–Pt bond lengths are 2.86 Å. All Dy–Sb bond lengths are 3.31 Å. Pt2- is bonded in a body-centered cubic geometry to four equivalent Dy3+ and four equivalent Sb1- atoms. All Pt–Sb bond lengths are 2.86 Å. Sb1- is bonded in a 10-coordinate geometry to six equivalent Dy3+ and four equivalent Pt2- atoms.
DOI: 10.17188/1191818
title: Materials Data on DyS2 by Materials Project

description: DyS2 is Cubic Laves structured and crystallizes in the cubic Fd-3m space group. The structure is three-dimensional. Dy3+ is bonded in a 12-coordinate geometry to twelve equivalent S+1.50- atoms. All Dy–S bond lengths are 3.23 Å. S+1.50- is bonded to six equivalent Dy3+ and six equivalent S+1.50- atoms to form a mixture of edge, face, and corner-sharing SDy6S6 cuboctahedra. All S–S bond lengths are 2.76 Å.
DOI: 10.17188/1191819
title: Materials Data on ErSbPt by Materials Project

description: ErPtSb is half-Heusler structured and crystallizes in the cubic F-43m space group. The structure is three-dimensional. Er3+ is bonded to four equivalent Pt2- and six equivalent Sb1- atoms to form a mixture of distorted face and corner-sharing ErSb6Pt4 tetrahedra. All Er–Pt bond lengths are 2.85 Å. All Er–Sb bond lengths are 3.29 Å. Pt2- is bonded in a body-centered cubic geometry to four equivalent Er3+ and four equivalent Sb1- atoms. All Pt–Sb bond lengths are 2.85 Å. Sb1- is bonded in a 10-coordinate geometry to six equivalent Er3+ and four equivalent Pt2- atoms.
DOI: 10.17188/1191820
title: Materials Data on ErS2 by Materials Project

description: ErS2 is Cubic Laves structured and crystallizes in the cubic Fd-3m space group. The structure is three-dimensional. Er3+ is bonded in a 12-coordinate geometry to twelve equivalent S+1.50- atoms. All Er–S bond lengths are 3.22 Å. S+1.50- is bonded to six equivalent Er3+ and six equivalent S+1.50- atoms to form a mixture of edge, face, and corner-sharing SEr6S6 cuboctahedra. All S–S bond lengths are 2.75 Å.
DOI: 10.17188/1191821
title: Materials Data on Fe3PdN by Materials Project

description: PdFe3N is (Cubic) Perovskite structured and crystallizes in the cubic Pm-3m space group. The structure is three-dimensional. Fe is bonded in a linear geometry to four equivalent Pd and two equivalent N atoms. All Fe–Pd bond lengths are 2.73 Å. Both Fe–N bond lengths are 1.93 Å. Pd is bonded to twelve equivalent Fe atoms to form PdFe12 cuboctahedra that share corners with twelve equivalent PdFe12 cuboctahedra, faces with six equivalent PdFe12 cuboctahedra, and faces with eight equivalent NFe6 octahedra. N is bonded to six equivalent Fe atoms to form NFe6 octahedra that share corners with six equivalent NFe6 octahedra and faces with eight equivalent PdFe12 cuboctahedra. The corner-sharing octahedral tilt angles are 0°.
DOI: 10.17188/1191822
title: Materials Data on Ti3FeS6 by Materials Project

description: Ti3FeS6 crystallizes in the trigonal P-31c space group. The structure is three-dimensional. there are two inequivalent Ti+3.33+ sites. In the first Ti+3.33+ site, Ti+3.33+ is bonded to six equivalent S2- atoms to form TiS6 octahedra that share corners with three equivalent TiS6 octahedra, edges with three equivalent TiS6 octahedra, edges with three equivalent FeS6 octahedra, and a faceface with one TiS6 octahedra. The corner-sharing octahedral tilt angles are 48°. All Ti–S bond lengths are 2.45 Å. In the second Ti+3.33+ site, Ti+3.33+ is bonded to six equivalent S2- atoms to form TiS6 octahedra that share corners with six equivalent TiS6 octahedra, corners with six equivalent FeS6 octahedra, and faces with two equivalent TiS6 octahedra. The corner-sharing octahedra tilt angles range from 47–48°. All Ti–S bond lengths are 2.45 Å. Fe2+ is bonded to six equivalent S2- atoms to form FeS6 octahedra that share corners with six equivalent TiS6 octahedra and edges with six equivalent TiS6 octahedra. The corner-sharing octahedral tilt angles are 47°. All Fe–S bond lengths are 2.45 Å. S2- is bonded in a rectangular see-saw-like geometry to three Ti+3.33+ and one Fe2+ atom.
DOI: 10.17188/1191823
title: Materials Data on Zr2Fe3Si by Materials Project

description: Zr2Fe3Si is Hexagonal Laves-derived structured and crystallizes in the hexagonal P6_3/mmc space group. The structure is three-dimensional. Zr is bonded in a 12-coordinate geometry to four equivalent Zr, nine equivalent Fe, and three equivalent Si atoms. There are one shorter (3.00 Å) and three longer (3.06 Å) Zr–Zr bond lengths. There are three shorter (2.90 Å) and six longer (2.91 Å) Zr–Fe bond lengths. All Zr–Si bond lengths are 2.93 Å. Fe is bonded to six equivalent Zr, four equivalent Fe, and two equivalent Si atoms to form FeZr6Fe4Si2 cuboctahedra that share corners with four equivalent SiZr6Fe6 cuboctahedra, corners with fourteen equivalent FeZr6Fe4Si2 cuboctahedra, edges with six equivalent FeZr6Fe4Si2 cuboctahedra, faces with six equivalent SiZr6Fe6 cuboctahedra, and faces with twelve equivalent FeZr6Fe4Si2 cuboctahedra. There are two shorter (2.45 Å) and two longer (2.54 Å) Fe–Fe bond lengths. Both Fe–Si bond lengths are 2.49 Å. Si is bonded to six equivalent Zr and six equivalent Fe atoms to form SiZr6Fe6 cuboctahedra that share corners with twelve equivalent FeZr6Fe4Si2 cuboctahedra, edges with six equivalent SiZr6Fe6 cuboctahedra, faces with two equivalent SiZr6Fe6 cuboctahedra, and faces with eighteen equivalent FeZr6Fe4Si2 cuboctahedra.
DOI: 10.17188/1191824
title: Materials Data on Ga2HgTe4 by Materials Project

description: HgGa2Te4 is Chalcostibite-like structured and crystallizes in the tetragonal I-4 space group. The structure is three-dimensional. Hg2+ is bonded to four equivalent Te2- atoms to form HgTe4 tetrahedra that share corners with eight GaTe4 tetrahedra. All Hg–Te bond lengths are 2.88 Å. There are two inequivalent Ga3+ sites. In the first Ga3+ site, Ga3+ is bonded to four equivalent Te2- atoms to form GaTe4 tetrahedra that share corners with four equivalent HgTe4 tetrahedra and corners with four equivalent GaTe4 tetrahedra. All Ga–Te bond lengths are 2.67 Å. In the second Ga3+ site, Ga3+ is bonded to four equivalent Te2- atoms to form GaTe4 tetrahedra that share corners with four equivalent HgTe4 tetrahedra and corners with four equivalent GaTe4 tetrahedra. All Ga–Te bond lengths are 2.68 Å. Te2- is bonded in a distorted trigonal non-coplanar geometry to one Hg2+ and two Ga3+ atoms.
DOI: 10.17188/1191825
title: Materials Data on GaSi(MoS2)4 by Materials Project

description: GaSi(MoS2)4 crystallizes in the cubic F-43m space group. The structure is three-dimensional. Mo+2.25+ is bonded in a 6-coordinate geometry to six S2- atoms. There are three shorter (2.36 Å) and three longer (2.93 Å) Mo–S bond lengths. Ga3+ is bonded to four equivalent S2- atoms to form GaS4 tetrahedra that share corners with four equivalent SiS4 tetrahedra. All Ga–S bond lengths are 2.50 Å. Si4+ is bonded to four equivalent S2- atoms to form SiS4 tetrahedra that share corners with four equivalent GaS4 tetrahedra. All Si–S bond lengths are 2.09 Å. There are two inequivalent S2- sites. In the first S2- site, S2- is bonded in a distorted linear geometry to three equivalent Mo+2.25+, one Ga3+, and one Si4+ atom. In the second S2- site, S2- is bonded in a 3-coordinate geometry to three equivalent Mo+2.25+ atoms.
DOI: 10.17188/1191826
title: Materials Data on MoSe2 by Materials Project

description: MoSe2 is Molybdenite structured and crystallizes in the hexagonal P6_3/mmc space group. The structure is two-dimensional and consists of two MoSe2 sheets oriented in the (0, 0, 1) direction. Mo4+ is bonded to six equivalent Se2- atoms to form distorted edge-sharing MoSe6 pentagonal pyramids. All Mo–Se bond lengths are 2.55 Å. Se2- is bonded in a 3-coordinate geometry to three equivalent Mo4+ atoms.
DOI: 10.17188/1191827
title: Materials Data on GdPPt by Materials Project

description: GdPtP is hexagonal omega structure-derived structured and crystallizes in the hexagonal P-6m2 space group. The structure is three-dimensional. Gd3+ is bonded to six equivalent Pt2- and six equivalent P1- atoms to form a mixture of edge and face-sharing GdP6Pt6 cuboctahedra. All Gd–Pt bond lengths are 3.11 Å. All Gd–P bond lengths are 3.11 Å. Pt2- is bonded in a 9-coordinate geometry to six equivalent Gd3+ and three equivalent P1- atoms. All Pt–P bond lengths are 2.40 Å. P1- is bonded in a 9-coordinate geometry to six equivalent Gd3+ and three equivalent Pt2- atoms.
DOI: 10.17188/1191828
title: Materials Data on Li2HgGe by Materials Project

description: Li2HgGe 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 Hg and four equivalent Ge atoms. All Li–Hg bond lengths are 2.80 Å. All Li–Ge bond lengths are 2.80 Å. Hg is bonded in a body-centered cubic geometry to eight equivalent Li atoms. Ge is bonded in a body-centered cubic geometry to eight equivalent Li atoms.
DOI: 10.17188/1191829
title: Materials Data on HoGe by Materials Project

description: HoGe crystallizes in the orthorhombic Cmcm space group. The structure is three-dimensional. Ho is bonded in a 5-coordinate geometry to seven equivalent Ge atoms. There are a spread of Ho–Ge bond distances ranging from 2.95–3.21 Å. Ge is bonded in a 5-coordinate geometry to seven equivalent Ho and two equivalent Ge atoms. Both Ge–Ge bond lengths are 2.70 Å.
DOI: 10.17188/1191830
title: Materials Data on LiInGe by Materials Project

description: LiInGe is half-Heusler structured and crystallizes in the cubic F-43m space group. The structure is three-dimensional. Li is bonded to six equivalent In and four equivalent Ge atoms to form a mixture of distorted face and corner-sharing LiIn6Ge4 tetrahedra. All Li–In bond lengths are 3.20 Å. All Li–Ge bond lengths are 2.77 Å. In is bonded in a 10-coordinate geometry to six equivalent Li and four equivalent Ge atoms. All In–Ge bond lengths are 2.77 Å. Ge is bonded in a body-centered cubic geometry to four equivalent Li and four equivalent In atoms.
DOI: 10.17188/1191831
title: Materials Data on LiNi2Ge by Materials Project

description: LiNi2Ge 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 Ni and six equivalent Ge atoms. All Li–Ni bond lengths are 2.46 Å. All Li–Ge bond lengths are 2.84 Å. Ni is bonded in a distorted body-centered cubic geometry to four equivalent Li and four equivalent Ge atoms. All Ni–Ge bond lengths are 2.46 Å. Ge is bonded in a 8-coordinate geometry to six equivalent Li and eight equivalent Ni atoms.
DOI: 10.17188/1191832
title: Materials Data on TbMg by Materials Project

description: TbMg is Tetraauricupride structured and crystallizes in the cubic Pm-3m space group. The structure is three-dimensional. Mg is bonded in a body-centered cubic geometry to eight equivalent Tb atoms. All Mg–Tb bond lengths are 3.29 Å. Tb is bonded in a body-centered cubic geometry to eight equivalent Mg atoms.