cometadata/datacite-titles-descriptions-related-identifiers huggingface dataset:
DOI: 10.17188/1198845
title: Materials Data on ErGe by Materials Project

description: ErGe crystallizes in the orthorhombic Cmcm space group. The structure is three-dimensional. Er is bonded in a 5-coordinate geometry to seven equivalent Ge atoms. There are a spread of Er–Ge bond distances ranging from 2.93–3.20 Å. Ge is bonded in a 5-coordinate geometry to seven equivalent Er and two equivalent Ge atoms. Both Ge–Ge bond lengths are 2.70 Å.
DOI: 10.17188/1198846
title: Materials Data on CaFe4As3 by Materials Project

description: CaFe4As3 crystallizes in the orthorhombic Pnma space group. The structure is three-dimensional. Ca is bonded in a 7-coordinate geometry to seven As atoms. There are a spread of Ca–As bond distances ranging from 2.96–3.28 Å. There are four inequivalent Fe sites. In the first Fe site, Fe is bonded to four As atoms to form a mixture of distorted edge and corner-sharing FeAs4 tetrahedra. There are a spread of Fe–As bond distances ranging from 2.38–2.41 Å. In the second Fe site, Fe is bonded to four As atoms to form a mixture of distorted edge and corner-sharing FeAs4 tetrahedra. There are a spread of Fe–As bond distances ranging from 2.43–2.46 Å. In the third Fe site, Fe is bonded in a 5-coordinate geometry to five As atoms. There are a spread of Fe–As bond distances ranging from 2.40–2.61 Å. In the fourth Fe site, Fe is bonded to four As atoms to form a mixture of distorted edge and corner-sharing FeAs4 tetrahedra. There are a spread of Fe–As bond distances ranging from 2.34–2.38 Å. There are three inequivalent As sites. In the first As site, As is bonded in a 9-coordinate geometry to two equivalent Ca and seven Fe atoms. In the second As site, As is bonded in a 8-coordinate geometry to two equivalent Ca and six Fe atoms. In the third As site, As is bonded in a 7-coordinate geometry to three equivalent Ca and four Fe atoms.
DOI: 10.17188/1198847
title: Materials Data on Zr2Se by Materials Project

description: Zr2Se crystallizes in the orthorhombic Pnnm space group. The structure is three-dimensional. there are six inequivalent Zr sites. In the first Zr site, Zr is bonded in a 4-coordinate geometry to four Se atoms. There are two shorter (2.76 Å) and two longer (2.80 Å) Zr–Se bond lengths. In the second Zr site, Zr is bonded in a 4-coordinate geometry to four Se atoms. There are two shorter (2.77 Å) and two longer (2.78 Å) Zr–Se bond lengths. In the third Zr site, Zr is bonded in a 3-coordinate geometry to three Se atoms. There are two shorter (2.75 Å) and one longer (2.88 Å) Zr–Se bond lengths. In the fourth Zr site, Zr is bonded in a distorted T-shaped geometry to three Se atoms. There are a spread of Zr–Se bond distances ranging from 2.82–2.98 Å. In the fifth Zr site, Zr is bonded to five Se atoms to form distorted edge-sharing ZrSe5 trigonal bipyramids. There are a spread of Zr–Se bond distances ranging from 2.75–2.78 Å. In the sixth Zr site, Zr is bonded in a 4-coordinate geometry to four Se atoms. There are a spread of Zr–Se bond distances ranging from 2.75–2.94 Å. There are three inequivalent Se sites. In the first Se site, Se is bonded to seven Zr atoms to form distorted edge-sharing SeZr7 pentagonal bipyramids. In the second Se site, Se is bonded in a 8-coordinate geometry to eight Zr atoms. In the third Se site, Se is bonded in a 9-coordinate geometry to eight Zr atoms.
DOI: 10.17188/1198848
title: Materials Data on Tb3(CoGe2)2 by Materials Project

description: Tb3Co2Ge4 crystallizes in the monoclinic C2/m space group. The structure is three-dimensional. there are two inequivalent Tb sites. In the first Tb site, Tb is bonded in a 6-coordinate geometry to eight Ge atoms. There are a spread of Tb–Ge bond distances ranging from 2.99–3.38 Å. In the second Tb site, Tb is bonded in a 12-coordinate geometry to four equivalent Co and eight Ge atoms. There are a spread of Tb–Co bond distances ranging from 2.90–3.27 Å. There are a spread of Tb–Ge bond distances ranging from 2.99–3.29 Å. Co is bonded in a 4-coordinate geometry to four equivalent Tb and four Ge atoms. There are a spread of Co–Ge bond distances ranging from 2.35–2.43 Å. There are two inequivalent Ge sites. In the first Ge site, Ge is bonded in a 10-coordinate geometry to six Tb, three equivalent Co, and one Ge atom. The Ge–Ge bond length is 3.05 Å. In the second Ge site, Ge is bonded in a 6-coordinate geometry to six Tb, one Co, and two equivalent Ge atoms. Both Ge–Ge bond lengths are 2.74 Å.
DOI: 10.17188/1198849
title: Materials Data on PrSnPd by Materials Project

description: PrPdSn crystallizes in the orthorhombic Pnma space group. The structure is three-dimensional. Pr is bonded in a 12-coordinate geometry to six equivalent Pd and six equivalent Sn atoms. There are a spread of Pr–Pd bond distances ranging from 3.18–3.51 Å. There are a spread of Pr–Sn bond distances ranging from 3.29–3.42 Å. Pd is bonded in a 10-coordinate geometry to six equivalent Pr and four equivalent Sn atoms. There are a spread of Pd–Sn bond distances ranging from 2.75–2.94 Å. Sn is bonded in a 10-coordinate geometry to six equivalent Pr and four equivalent Pd atoms.
DOI: 10.17188/1198850
title: Materials Data on InPd2 by Materials Project

description: InPd2 is Cotunnite structured and crystallizes in the orthorhombic Pnma space group. The structure is three-dimensional. there are two inequivalent Pd sites. In the first Pd site, Pd is bonded in a 12-coordinate geometry to five equivalent Pd and five equivalent In atoms. There are a spread of Pd–Pd bond distances ranging from 2.91–3.00 Å. There are a spread of Pd–In bond distances ranging from 2.74–2.98 Å. In the second Pd site, Pd is bonded in a 12-coordinate geometry to seven Pd and five equivalent In atoms. Both Pd–Pd bond lengths are 2.88 Å. There are a spread of Pd–In bond distances ranging from 2.78–2.95 Å. In is bonded in a 10-coordinate geometry to ten Pd atoms.
DOI: 10.17188/1198851
title: Materials Data on FeCu2SnS4 by Materials Project

description: Cu2FeSnS4 is Stannite structured and crystallizes in the tetragonal I-42m space group. The structure is three-dimensional. Fe3+ is bonded to four equivalent S2- atoms to form FeS4 tetrahedra that share corners with four equivalent SnS4 tetrahedra and corners with eight equivalent CuS4 tetrahedra. All Fe–S bond lengths are 2.29 Å. Cu+1.50+ is bonded to four equivalent S2- atoms to form CuS4 tetrahedra that share corners with four equivalent FeS4 tetrahedra, corners with four equivalent CuS4 tetrahedra, and corners with four equivalent SnS4 tetrahedra. All Cu–S bond lengths are 2.31 Å. Sn2+ is bonded to four equivalent S2- atoms to form SnS4 tetrahedra that share corners with four equivalent FeS4 tetrahedra and corners with eight equivalent CuS4 tetrahedra. All Sn–S bond lengths are 2.51 Å. S2- is bonded to one Fe3+, two equivalent Cu+1.50+, and one Sn2+ atom to form corner-sharing SFeCu2Sn tetrahedra.
DOI: 10.17188/1198852
title: Materials Data on TbCo2 by Materials Project

description: TbCo2 is Cubic Laves structured and crystallizes in the cubic Fd-3m space group. The structure is three-dimensional. Tb is bonded in a 12-coordinate geometry to twelve equivalent Co atoms. All Tb–Co bond lengths are 2.98 Å. Co is bonded to six equivalent Tb and six equivalent Co atoms to form a mixture of corner, edge, and face-sharing CoTb6Co6 cuboctahedra. All Co–Co bond lengths are 2.54 Å.
DOI: 10.17188/1198853
title: Materials Data on FeS by Materials Project

description: FeS crystallizes in the monoclinic P2_1/c space group. The structure is three-dimensional. there are three inequivalent Fe2+ sites. In the first Fe2+ site, Fe2+ is bonded to six S2- atoms to form distorted FeS6 octahedra that share corners with four equivalent FeS6 octahedra, corners with five equivalent FeS5 trigonal bipyramids, edges with two equivalent FeS6 octahedra, and edges with two equivalent FeS5 trigonal bipyramids. The corner-sharing octahedra tilt angles range from 56–57°. There are a spread of Fe–S bond distances ranging from 2.23–2.58 Å. In the second Fe2+ site, Fe2+ is bonded to five S2- atoms to form distorted FeS5 trigonal bipyramids that share corners with five equivalent FeS6 octahedra, corners with four equivalent FeS5 trigonal bipyramids, and edges with two equivalent FeS6 octahedra. The corner-sharing octahedra tilt angles range from 47–68°. There are a spread of Fe–S bond distances ranging from 2.14–2.25 Å. In the third Fe2+ site, Fe2+ is bonded in a 6-coordinate geometry to six S2- atoms. There are a spread of Fe–S bond distances ranging from 2.16–2.50 Å. There are three inequivalent S2- sites. In the first S2- site, S2- is bonded in a 5-coordinate geometry to five Fe2+ atoms. In the second S2- site, S2- is bonded in a 6-coordinate geometry to six Fe2+ atoms. In the third S2- site, S2- is bonded in a 6-coordinate geometry to six Fe2+ atoms.
DOI: 10.17188/1198867
title: Materials Data on Eu(SiAg)2 by Materials Project

description: EuAg2Si2 crystallizes in the tetragonal I4/mmm space group. The structure is three-dimensional. Eu3+ is bonded to eight equivalent Si4- atoms to form EuSi8 hexagonal bipyramids that share corners with sixteen equivalent AgSi4 tetrahedra, edges with four equivalent EuSi8 hexagonal bipyramids, edges with eight equivalent AgSi4 tetrahedra, and faces with four equivalent EuSi8 hexagonal bipyramids. All Eu–Si bond lengths are 3.27 Å. Ag+2.50+ is bonded to four equivalent Si4- atoms to form AgSi4 tetrahedra that share corners with eight equivalent EuSi8 hexagonal bipyramids, corners with four equivalent AgSi4 tetrahedra, edges with four equivalent EuSi8 hexagonal bipyramids, and edges with four equivalent AgSi4 tetrahedra. All Ag–Si bond lengths are 2.63 Å. Si4- is bonded in a 9-coordinate geometry to four equivalent Eu3+, four equivalent Ag+2.50+, and one Si4- atom. The Si–Si bond length is 2.32 Å.
DOI: 10.17188/1198868
title: Materials Data on GdInPt2 by Materials Project

description: InPt2Gd crystallizes in the hexagonal P6_3/mmc space group. The structure is three-dimensional. Gd3+ is bonded in a 8-coordinate geometry to eight equivalent Pt2- atoms. There are six shorter (3.04 Å) and two longer (3.10 Å) Gd–Pt bond lengths. Pt2- is bonded in a 8-coordinate geometry to four equivalent Gd3+ and three equivalent In1+ atoms. All Pt–In bond lengths are 2.79 Å. In1+ is bonded in a distorted hexagonal planar geometry to six equivalent Pt2- atoms.
DOI: 10.17188/1198869
title: Materials Data on Pu(SiRh)2 by Materials Project

description: Pu(RhSi)2 crystallizes in the tetragonal I4/mmm space group. The structure is three-dimensional. Pu is bonded in a 8-coordinate geometry to eight equivalent Rh and eight equivalent Si atoms. All Pu–Rh bond lengths are 3.23 Å. All Pu–Si bond lengths are 3.08 Å. Rh is bonded to four equivalent Pu and four equivalent Si atoms to form a mixture of distorted corner, edge, and face-sharing RhPu4Si4 tetrahedra. All Rh–Si bond lengths are 2.41 Å. Si is bonded in a 9-coordinate geometry to four equivalent Pu, four equivalent Rh, and one Si atom. The Si–Si bond length is 2.38 Å.
DOI: 10.17188/1198870
title: Materials Data on Co2NiS4 by Materials Project

description: NiCo2S4 is Spinel structured and crystallizes in the cubic Fd-3m space group. The structure is three-dimensional. Co3+ is bonded to six equivalent S2- atoms to form CoS6 octahedra that share corners with six equivalent NiS4 tetrahedra and edges with six equivalent CoS6 octahedra. All Co–S bond lengths are 2.25 Å. Ni2+ is bonded to four equivalent S2- atoms to form NiS4 tetrahedra that share corners with twelve equivalent CoS6 octahedra. The corner-sharing octahedral tilt angles are 58°. All Ni–S bond lengths are 2.17 Å. S2- is bonded to three equivalent Co3+ and one Ni2+ atom to form a mixture of distorted edge and corner-sharing SCo3Ni trigonal pyramids.
DOI: 10.17188/1198871
title: Materials Data on YbAg by Materials Project

description: AgYb is Tetraauricupride structured and crystallizes in the cubic Pm-3m space group. The structure is three-dimensional. Yb is bonded in a body-centered cubic geometry to eight equivalent Ag atoms. All Yb–Ag bond lengths are 3.16 Å. Ag is bonded in a body-centered cubic geometry to eight equivalent Yb atoms.
DOI: 10.17188/1198872
title: Materials Data on InAgO2 by Materials Project

description: AgInO2 crystallizes in the trigonal R-3m space group. The structure is three-dimensional. Ag1+ is bonded in a linear geometry to two equivalent O2- atoms. Both Ag–O bond lengths are 2.11 Å. In3+ is bonded to six equivalent O2- atoms to form edge-sharing InO6 octahedra. All In–O bond lengths are 2.21 Å. O2- is bonded to one Ag1+ and three equivalent In3+ atoms to form a mixture of distorted corner and edge-sharing OIn3Ag tetrahedra.
DOI: 10.17188/1198873
title: Materials Data on InAg(PS3)2 by Materials Project

description: AgInP2S6 crystallizes in the trigonal P-31c space group. The structure is two-dimensional and consists of two AgInP2S6 sheets oriented in the (0, 0, 1) direction. Ag1+ is bonded to six equivalent S2- atoms to form AgS6 octahedra that share edges with three equivalent InS6 octahedra. All Ag–S bond lengths are 2.80 Å. In1+ is bonded to six equivalent S2- atoms to form InS6 octahedra that share edges with three equivalent AgS6 octahedra. All In–S bond lengths are 2.69 Å. P5+ is bonded in a trigonal non-coplanar geometry to three equivalent S2- atoms. All P–S bond lengths are 2.04 Å. S2- is bonded in a 3-coordinate geometry to one Ag1+, one In1+, and one P5+ atom.
DOI: 10.17188/1198874
title: Materials Data on TiGaPt by Materials Project

description: TiPtGa crystallizes in the hexagonal P6_3/mmc space group. The structure is three-dimensional. Ti is bonded in a 12-coordinate geometry to two equivalent Ti, six equivalent Pt, and six equivalent Ga atoms. Both Ti–Ti bond lengths are 2.76 Å. All Ti–Pt bond lengths are 2.90 Å. All Ti–Ga bond lengths are 2.90 Å. Pt is bonded in a 11-coordinate geometry to six equivalent Ti and five equivalent Ga atoms. There are three shorter (2.55 Å) and two longer (2.76 Å) Pt–Ga bond lengths. Ga is bonded in a 5-coordinate geometry to six equivalent Ti and five equivalent Pt atoms.
DOI: 10.17188/1198875
title: Materials Data on HoRh3C by Materials Project

description: HoRh3C is (Cubic) Perovskite structured and crystallizes in the cubic Pm-3m space group. The structure is three-dimensional. Ho is bonded to twelve equivalent Rh atoms to form HoRh12 cuboctahedra that share corners with twelve equivalent HoRh12 cuboctahedra, faces with six equivalent HoRh12 cuboctahedra, and faces with eight equivalent CRh6 octahedra. All Ho–Rh bond lengths are 2.95 Å. Rh is bonded to four equivalent Ho and two equivalent C atoms to form a mixture of distorted edge, corner, and face-sharing RhHo4C2 octahedra. The corner-sharing octahedra tilt angles range from 0–60°. Both Rh–C bond lengths are 2.09 Å. C is bonded to six equivalent Rh atoms to form CRh6 octahedra that share corners with six equivalent CRh6 octahedra and faces with eight equivalent HoRh12 cuboctahedra. The corner-sharing octahedral tilt angles are 0°.
DOI: 10.17188/1198876
title: Materials Data on AgAsPbS3 by Materials Project

description: AgPbAsS3 crystallizes in the monoclinic P2_1/c space group. The structure is three-dimensional. Ag1+ is bonded in a 4-coordinate geometry to six S2- atoms. There are a spread of Ag–S bond distances ranging from 2.49–3.57 Å. Pb2+ is bonded to six S2- atoms to form a mixture of distorted corner and edge-sharing PbS6 pentagonal pyramids. There are a spread of Pb–S bond distances ranging from 2.85–3.35 Å. As3+ is bonded in a distorted trigonal non-coplanar geometry to three S2- atoms. There are one shorter (2.29 Å) and two longer (2.30 Å) As–S bond lengths. There are three inequivalent S2- sites. In the first S2- site, S2- is bonded in a 6-coordinate geometry to two equivalent Ag1+, three equivalent Pb2+, and one As3+ atom. In the second S2- site, S2- is bonded in a distorted trigonal non-coplanar geometry to two equivalent Ag1+, one Pb2+, and one As3+ atom. In the third S2- site, S2- is bonded in a 2-coordinate geometry to two equivalent Ag1+, two equivalent Pb2+, and one As3+ atom.
DOI: 10.17188/1198877
title: Materials Data on NdCu3(RuO3)4 by Materials Project

description: NdCu3Ru4O12 crystallizes in the cubic Im-3 space group. The structure is three-dimensional. Nd3+ is bonded to twelve equivalent O2- atoms to form NdO12 cuboctahedra that share faces with eight equivalent RuO6 octahedra. All Nd–O bond lengths are 2.63 Å. Ru+4.50+ is bonded to six equivalent O2- atoms to form RuO6 octahedra that share corners with six equivalent RuO6 octahedra and faces with two equivalent NdO12 cuboctahedra. The corner-sharing octahedral tilt angles are 42°. All Ru–O bond lengths are 2.02 Å. Cu1+ is bonded in a square co-planar geometry to four equivalent O2- atoms. All Cu–O bond lengths are 1.95 Å. O2- is bonded in a 4-coordinate geometry to one Nd3+, two equivalent Ru+4.50+, and one Cu1+ atom.
DOI: 10.17188/1198878
title: Materials Data on UFeS3 by Materials Project

description: UFeS3 crystallizes in the orthorhombic Cmcm space group. The structure is three-dimensional. U3+ is bonded in a 9-coordinate geometry to eight S2- atoms. There are a spread of U–S bond distances ranging from 2.73–2.89 Å. Fe3+ is bonded to six S2- atoms to form a mixture of edge and corner-sharing FeS6 octahedra. The corner-sharing octahedral tilt angles are 43°. There are two shorter (2.28 Å) and four longer (2.34 Å) Fe–S bond lengths. There are two inequivalent S2- sites. In the first S2- site, S2- is bonded in a 5-coordinate geometry to three equivalent U3+ and two equivalent Fe3+ atoms. In the second S2- site, S2- is bonded in a 4-coordinate geometry to two equivalent U3+ and two equivalent Fe3+ atoms.
DOI: 10.17188/1198879
title: Materials Data on HoB2 by Materials Project

description: HoB2 is hexagonal omega structure structured and crystallizes in the hexagonal P6/mmm space group. The structure is three-dimensional. Ho is bonded to twelve equivalent B atoms to form a mixture of edge and face-sharing HoB12 cuboctahedra. All Ho–B bond lengths are 2.70 Å. B is bonded in a 9-coordinate geometry to six equivalent Ho and three equivalent B atoms. All B–B bond lengths are 1.90 Å.
DOI: 10.17188/1198880
title: Materials Data on HoGeRh by Materials Project

description: HoRhGe crystallizes in the orthorhombic Pnma space group. The structure is three-dimensional. Ho is bonded in a 11-coordinate geometry to six equivalent Rh and five equivalent Ge atoms. There are a spread of Ho–Rh bond distances ranging from 3.01–3.34 Å. There are a spread of Ho–Ge bond distances ranging from 3.00–3.02 Å. Rh is bonded in a 10-coordinate geometry to six equivalent Ho and four equivalent Ge atoms. There are a spread of Rh–Ge bond distances ranging from 2.56–2.64 Å. Ge is bonded in a 9-coordinate geometry to five equivalent Ho and four equivalent Rh atoms.
DOI: 10.17188/1198881
title: Materials Data on Pr7O12 by Materials Project

description: Pr7O12 crystallizes in the trigonal R-3 space group. The structure is three-dimensional. there are two inequivalent Pr+3.43+ sites. In the first Pr+3.43+ site, Pr+3.43+ is bonded in a distorted octahedral geometry to six equivalent O2- atoms. All Pr–O bond lengths are 2.37 Å. In the second Pr+3.43+ site, Pr+3.43+ is bonded in a 7-coordinate geometry to seven O2- atoms. There are a spread of Pr–O bond distances ranging from 2.40–2.62 Å. There are two inequivalent O2- sites. In the first O2- site, O2- is bonded to four equivalent Pr+3.43+ atoms to form a mixture of edge and corner-sharing OPr4 tetrahedra. In the second O2- site, O2- is bonded to four Pr+3.43+ atoms to form a mixture of distorted edge and corner-sharing OPr4 tetrahedra.
DOI: 10.17188/1198882
title: Materials Data on CeC by Materials Project

description: CeC is Halite, Rock Salt structured and crystallizes in the cubic Fm-3m space group. The structure is three-dimensional. Ce4+ is bonded to six equivalent C4- atoms to form a mixture of edge and corner-sharing CeC6 octahedra. The corner-sharing octahedral tilt angles are 0°. All Ce–C bond lengths are 2.60 Å. C4- is bonded to six equivalent Ce4+ atoms to form a mixture of edge and corner-sharing CCe6 octahedra. The corner-sharing octahedral tilt angles are 0°.
DOI: 10.17188/1198883
title: Materials Data on MnInCu2 by Materials Project

description: Cu2MnIn is Heusler structured and crystallizes in the cubic Fm-3m space group. The structure is three-dimensional. Mn is bonded in a body-centered cubic geometry to eight equivalent Cu atoms. All Mn–Cu bond lengths are 2.68 Å. Cu is bonded in a body-centered cubic geometry to four equivalent Mn and four equivalent In atoms. All Cu–In bond lengths are 2.68 Å. In is bonded in a distorted body-centered cubic geometry to eight equivalent Cu atoms.
DOI: 10.17188/1198884
title: Materials Data on Ce2Sb by Materials Project

description: Ce2Sb crystallizes in the tetragonal I4/mmm space group. The structure is three-dimensional. there are two inequivalent Ce sites. In the first Ce site, Ce is bonded to five equivalent Sb atoms to form a mixture of distorted edge and corner-sharing CeSb5 square pyramids. There are four shorter (3.21 Å) and one longer (3.24 Å) Ce–Sb bond lengths. In the second Ce site, Ce is bonded in a 4-coordinate geometry to four equivalent Sb atoms. All Ce–Sb bond lengths are 3.28 Å. Sb is bonded in a 9-coordinate geometry to nine Ce atoms.
DOI: 10.17188/1198885
title: Materials Data on Ba(MnSn)2 by Materials Project

description: Ba(MnSn)2 crystallizes in the tetragonal I4/mmm space group. The structure is three-dimensional. Ba is bonded in a 8-coordinate geometry to eight equivalent Mn and eight equivalent Sn atoms. All Ba–Mn bond lengths are 3.82 Å. All Ba–Sn bond lengths are 3.70 Å. Mn is bonded to four equivalent Ba and four equivalent Sn atoms to form a mixture of distorted edge, corner, and face-sharing MnBa4Sn4 tetrahedra. All Mn–Sn bond lengths are 2.75 Å. Sn is bonded in a 9-coordinate geometry to four equivalent Ba, four equivalent Mn, and one Sn atom. The Sn–Sn bond length is 3.18 Å.
DOI: 10.17188/1198886
title: Materials Data on TbAg by Materials Project

description: TbAg is Tetraauricupride structured and crystallizes in the cubic Pm-3m space group. The structure is three-dimensional. Tb is bonded in a body-centered cubic geometry to eight equivalent Ag atoms. All Tb–Ag bond lengths are 3.17 Å. Ag is bonded in a body-centered cubic geometry to eight equivalent Tb atoms.
DOI: 10.17188/1198887
title: Materials Data on DyInCu2 by Materials Project

description: DyCu2In 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 Cu and six equivalent In atoms. All Dy–Cu bond lengths are 2.87 Å. All Dy–In bond lengths are 3.31 Å. Cu is bonded in a body-centered cubic geometry to four equivalent Dy and four equivalent In atoms. All Cu–In bond lengths are 2.87 Å. In is bonded in a distorted body-centered cubic geometry to six equivalent Dy and eight equivalent Cu atoms.
DOI: 10.17188/1198888
title: Materials Data on In2Pt by Materials Project

description: PtIn2 is Fluorite structured and crystallizes in the cubic Fm-3m space group. The structure is three-dimensional. Pt2- is bonded in a body-centered cubic geometry to eight equivalent In1+ atoms. All Pt–In bond lengths are 2.81 Å. In1+ is bonded to four equivalent Pt2- atoms to form a mixture of edge and corner-sharing InPt4 tetrahedra.
DOI: 10.17188/1198889
title: Materials Data on CeCuSn by Materials Project

description: CeCuSn crystallizes in the hexagonal P6_3mc space group. The structure is three-dimensional. Ce is bonded in a 12-coordinate geometry to six equivalent Cu and six equivalent Sn atoms. There are three shorter (3.05 Å) and three longer (3.53 Å) Ce–Cu bond lengths. There are three shorter (3.21 Å) and three longer (3.33 Å) Ce–Sn bond lengths. Cu is bonded in a 10-coordinate geometry to six equivalent Ce and four equivalent Sn atoms. There are three shorter (2.72 Å) and one longer (3.27 Å) Cu–Sn bond lengths. Sn is bonded in a 10-coordinate geometry to six equivalent Ce and four equivalent Cu atoms.