cometadata/datacite-titles-descriptions-related-identifiers huggingface dataset:
DOI: 10.17188/1350038
title: Materials Data on TiMo3 by Materials Project

description: TiMo3 crystallizes in the orthorhombic Immm space group. The structure is two-dimensional and consists of two TiMo3 sheets oriented in the (0, 0, 1) direction. Ti is bonded in a distorted body-centered cubic geometry to eight Mo atoms. There are four shorter (2.73 Å) and four longer (2.79 Å) Ti–Mo bond lengths. There are two inequivalent Mo sites. In the first Mo site, Mo is bonded in a 10-coordinate geometry to two equivalent Ti atoms. In the second Mo site, Mo is bonded in a 8-coordinate geometry to four equivalent Ti atoms.
DOI: 10.17188/1350039
title: Materials Data on TiAg by Materials Project

description: TiAg crystallizes in the tetragonal P4/nmm space group. The structure is three-dimensional. Ti is bonded to eight equivalent Ti and four equivalent Ag atoms to form distorted TiTi8Ag4 cuboctahedra that share corners with four equivalent TiTi8Ag4 cuboctahedra, corners with eight equivalent AgTi4Ag8 cuboctahedra, edges with eight equivalent TiTi8Ag4 cuboctahedra, edges with sixteen equivalent AgTi4Ag8 cuboctahedra, faces with six equivalent AgTi4Ag8 cuboctahedra, and faces with twelve equivalent TiTi8Ag4 cuboctahedra. There are four shorter (2.79 Å) and four longer (2.92 Å) Ti–Ti bond lengths. All Ti–Ag bond lengths are 2.96 Å. Ag is bonded to four equivalent Ti and eight equivalent Ag atoms to form distorted AgTi4Ag8 cuboctahedra that share corners with four equivalent AgTi4Ag8 cuboctahedra, corners with eight equivalent TiTi8Ag4 cuboctahedra, edges with eight equivalent AgTi4Ag8 cuboctahedra, edges with sixteen equivalent TiTi8Ag4 cuboctahedra, faces with six equivalent TiTi8Ag4 cuboctahedra, and faces with twelve equivalent AgTi4Ag8 cuboctahedra. There are four shorter (2.92 Å) and four longer (2.98 Å) Ag–Ag bond lengths.
DOI: 10.17188/1350040
title: Materials Data on TlN by Materials Project

description: TlN is Wurtzite structured and crystallizes in the hexagonal P6_3mc space group. The structure is three-dimensional. Tl3+ is bonded to four equivalent N3- atoms to form corner-sharing TlN4 tetrahedra. There are three shorter (2.28 Å) and one longer (2.29 Å) Tl–N bond lengths. N3- is bonded to four equivalent Tl3+ atoms to form corner-sharing NTl4 tetrahedra.
DOI: 10.17188/1350041
title: Materials Data on Tc3N by Materials Project

description: Tc3N is Molybdenite-like structured and crystallizes in the hexagonal P-6m2 space group. The structure is two-dimensional and consists of one technetium molecule and one Tc2N sheet oriented in the (0, 0, 1) direction. In the Tc2N sheet, Tc1+ is bonded in a distorted T-shaped geometry to three equivalent N3- atoms. All Tc–N bond lengths are 2.14 Å. N3- is bonded to six equivalent Tc1+ atoms to form distorted edge-sharing NTc6 pentagonal pyramids.
DOI: 10.17188/1350098
title: Materials Data on InCu by Materials Project

description: CuIn crystallizes in the orthorhombic Cmcm space group. The structure is three-dimensional. Cu is bonded in a body-centered cubic geometry to two equivalent Cu and six equivalent In atoms. Both Cu–Cu bond lengths are 2.54 Å. All Cu–In bond lengths are 2.73 Å. In is bonded in a 6-coordinate geometry to six equivalent Cu atoms.
DOI: 10.17188/1350099
title: Materials Data on CrSnRh2 by Materials Project

description: CrRh2Sn is Heusler structured and crystallizes in the tetragonal I4/mmm space group. The structure is three-dimensional. Cr is bonded to eight equivalent Rh and four equivalent Sn atoms to form CrSn4Rh8 cuboctahedra that share corners with four equivalent CrSn4Rh8 cuboctahedra, corners with eight equivalent SnCr4Rh8 cuboctahedra, edges with eight equivalent CrSn4Rh8 cuboctahedra, faces with four equivalent CrSn4Rh8 cuboctahedra, and faces with six equivalent SnCr4Rh8 cuboctahedra. All Cr–Rh bond lengths are 2.75 Å. All Cr–Sn bond lengths are 2.90 Å. Rh is bonded in a distorted body-centered cubic geometry to four equivalent Cr and four equivalent Sn atoms. All Rh–Sn bond lengths are 2.75 Å. Sn is bonded to four equivalent Cr and eight equivalent Rh atoms to form SnCr4Rh8 cuboctahedra that share corners with four equivalent SnCr4Rh8 cuboctahedra, corners with eight equivalent CrSn4Rh8 cuboctahedra, edges with eight equivalent SnCr4Rh8 cuboctahedra, faces with four equivalent SnCr4Rh8 cuboctahedra, and faces with six equivalent CrSn4Rh8 cuboctahedra.
DOI: 10.17188/1350100
title: Materials Data on Sr2SO by Materials Project

description: Sr2SO is Caswellsilverite-like structured and crystallizes in the tetragonal P4/mmm space group. The structure is three-dimensional. there are two inequivalent Sr2+ sites. In the first Sr2+ site, Sr2+ is bonded to two equivalent S2- and four equivalent O2- atoms to form a mixture of edge and corner-sharing SrS2O4 octahedra. The corner-sharing octahedral tilt angles are 0°. Both Sr–S bond lengths are 2.86 Å. All Sr–O bond lengths are 2.86 Å. In the second Sr2+ site, Sr2+ is bonded to four equivalent S2- and two equivalent O2- atoms to form SrS4O2 octahedra that share corners with six equivalent SrS4O2 octahedra and edges with twelve SrS2O4 octahedra. The corner-sharing octahedral tilt angles are 0°. All Sr–S bond lengths are 2.86 Å. Both Sr–O bond lengths are 2.86 Å. S2- is bonded to six Sr2+ atoms to form SSr6 octahedra that share corners with six equivalent SSr6 octahedra, edges with four equivalent SSr6 octahedra, and edges with eight equivalent OSr6 octahedra. The corner-sharing octahedral tilt angles are 0°. O2- is bonded to six Sr2+ atoms to form OSr6 octahedra that share corners with six equivalent OSr6 octahedra, edges with four equivalent OSr6 octahedra, and edges with eight equivalent SSr6 octahedra. The corner-sharing octahedral tilt angles are 0°.
DOI: 10.17188/1350101
title: Materials Data on MnFeCoGe by Materials Project

description: CoFeMnGe is Tungsten-derived structured and crystallizes in the cubic F-43m space group. The structure is three-dimensional. Mn is bonded in a distorted body-centered cubic geometry to four equivalent Fe, four equivalent Co, and six equivalent Ge atoms. All Mn–Fe bond lengths are 2.48 Å. All Mn–Co bond lengths are 2.48 Å. All Mn–Ge bond lengths are 2.86 Å. Fe is bonded in a body-centered cubic geometry to four equivalent Mn and four equivalent Ge atoms. All Fe–Ge bond lengths are 2.48 Å. Co is bonded in a body-centered cubic geometry to four equivalent Mn and four equivalent Ge atoms. All Co–Ge bond lengths are 2.48 Å. Ge is bonded in a distorted body-centered cubic geometry to six equivalent Mn, four equivalent Fe, and four equivalent Co atoms.
DOI: 10.17188/1350102
title: Materials Data on HfIr by Materials Project

description: HfIr is beta-prime cadmium gold structured and crystallizes in the orthorhombic Pmma space group. The structure is three-dimensional. Hf is bonded in a distorted body-centered cubic geometry to eight equivalent Ir atoms. There are six shorter (2.81 Å) and two longer (3.02 Å) Hf–Ir bond lengths. Ir is bonded in a distorted body-centered cubic geometry to eight equivalent Hf atoms.
DOI: 10.17188/1350103
title: Materials Data on UBi by Materials Project

description: UBi is Tetraauricupride structured and crystallizes in the cubic Pm-3m space group. The structure is three-dimensional. U is bonded in a body-centered cubic geometry to eight equivalent Bi atoms. All U–Bi bond lengths are 3.32 Å. Bi is bonded in a body-centered cubic geometry to eight equivalent U atoms.
DOI: 10.17188/1350104
title: Materials Data on CrFe3 by Materials Project

description: CrFe3 is alpha bismuth trifluoride structured and crystallizes in the cubic Fm-3m space group. The structure is three-dimensional. Cr is bonded in a distorted body-centered cubic geometry to fourteen Fe atoms. There are eight shorter (2.46 Å) and six longer (2.84 Å) Cr–Fe bond lengths. There are two inequivalent Fe sites. In the first Fe site, Fe is bonded in a 8-coordinate geometry to six equivalent Cr and eight equivalent Fe atoms. All Fe–Fe bond lengths are 2.46 Å. In the second Fe site, Fe is bonded in a distorted body-centered cubic geometry to four equivalent Cr and four equivalent Fe atoms.
DOI: 10.17188/1350105
title: Materials Data on GaCo2Ni by Materials Project

description: Co2NiGa is alpha La-derived structured and crystallizes in the tetragonal I4/mmm space group. The structure is three-dimensional. Co is bonded to four equivalent Co, four equivalent Ni, and four equivalent Ga atoms to form CoGa4Co4Ni4 cuboctahedra that share corners with twelve equivalent CoGa4Co4Ni4 cuboctahedra, edges with eight equivalent CoGa4Co4Ni4 cuboctahedra, edges with eight equivalent NiGa4Co8 cuboctahedra, edges with eight equivalent GaCo8Ni4 cuboctahedra, faces with four equivalent NiGa4Co8 cuboctahedra, faces with four equivalent GaCo8Ni4 cuboctahedra, and faces with ten equivalent CoGa4Co4Ni4 cuboctahedra. All Co–Co bond lengths are 2.54 Å. All Co–Ni bond lengths are 2.53 Å. All Co–Ga bond lengths are 2.53 Å. Ni is bonded to eight equivalent Co and four equivalent Ga atoms to form NiGa4Co8 cuboctahedra that share corners with four equivalent NiGa4Co8 cuboctahedra, corners with eight equivalent GaCo8Ni4 cuboctahedra, edges with eight equivalent NiGa4Co8 cuboctahedra, edges with sixteen equivalent CoGa4Co4Ni4 cuboctahedra, faces with four equivalent NiGa4Co8 cuboctahedra, faces with six equivalent GaCo8Ni4 cuboctahedra, and faces with eight equivalent CoGa4Co4Ni4 cuboctahedra. All Ni–Ga bond lengths are 2.54 Å. Ga is bonded to eight equivalent Co and four equivalent Ni atoms to form GaCo8Ni4 cuboctahedra that share corners with four equivalent GaCo8Ni4 cuboctahedra, corners with eight equivalent NiGa4Co8 cuboctahedra, edges with eight equivalent GaCo8Ni4 cuboctahedra, edges with sixteen equivalent CoGa4Co4Ni4 cuboctahedra, faces with four equivalent GaCo8Ni4 cuboctahedra, faces with six equivalent NiGa4Co8 cuboctahedra, and faces with eight equivalent CoGa4Co4Ni4 cuboctahedra.
DOI: 10.17188/1350106
title: Materials Data on FeSnRh2 by Materials Project

description: Rh2FeSn is Heusler structured and crystallizes in the tetragonal I4/mmm space group. The structure is three-dimensional. Fe is bonded to eight equivalent Rh and four equivalent Sn atoms to form distorted FeSn4Rh8 cuboctahedra that share corners with four equivalent FeSn4Rh8 cuboctahedra, corners with eight equivalent SnFe4Rh8 cuboctahedra, edges with eight equivalent FeSn4Rh8 cuboctahedra, faces with four equivalent FeSn4Rh8 cuboctahedra, and faces with six equivalent SnFe4Rh8 cuboctahedra. All Fe–Rh bond lengths are 2.73 Å. All Fe–Sn bond lengths are 2.94 Å. Rh is bonded in a distorted body-centered cubic geometry to four equivalent Fe and four equivalent Sn atoms. All Rh–Sn bond lengths are 2.73 Å. Sn is bonded to four equivalent Fe and eight equivalent Rh atoms to form distorted SnFe4Rh8 cuboctahedra that share corners with four equivalent SnFe4Rh8 cuboctahedra, corners with eight equivalent FeSn4Rh8 cuboctahedra, edges with eight equivalent SnFe4Rh8 cuboctahedra, faces with four equivalent SnFe4Rh8 cuboctahedra, and faces with six equivalent FeSn4Rh8 cuboctahedra.
DOI: 10.17188/1350107
title: Materials Data on HfPt3 by Materials Project

description: HfPt3 is Uranium Silicide structured and crystallizes in the cubic Pm-3m space group. The structure is three-dimensional. Hf is bonded to twelve equivalent Pt atoms to form a mixture of face and corner-sharing HfPt12 cuboctahedra. All Hf–Pt bond lengths are 2.85 Å. Pt is bonded in a distorted square co-planar geometry to four equivalent Hf atoms.
DOI: 10.17188/1350108
title: Materials Data on CuPd by Materials Project

description: PdCu is Tetraauricupride structured and crystallizes in the cubic Pm-3m space group. The structure is three-dimensional. Pd is bonded in a body-centered cubic geometry to eight equivalent Cu atoms. All Pd–Cu bond lengths are 2.61 Å. Cu is bonded in a body-centered cubic geometry to eight equivalent Pd atoms.
DOI: 10.17188/1350109
title: Materials Data on VN by Materials Project

description: VN is Tungsten Carbide structured and crystallizes in the hexagonal P-6m2 space group. The structure is three-dimensional. V3+ is bonded to six equivalent N3- atoms to form a mixture of distorted face, edge, and corner-sharing VN6 pentagonal pyramids. All V–N bond lengths are 2.07 Å. N3- is bonded to six equivalent V3+ atoms to form a mixture of distorted face, edge, and corner-sharing NV6 pentagonal pyramids.
DOI: 10.17188/1350110
title: Materials Data on TiS by Materials Project

description: TiS is Tungsten Carbide structured and crystallizes in the hexagonal P-6m2 space group. The structure is three-dimensional. Ti2+ is bonded to six equivalent S2- atoms to form a mixture of distorted corner, edge, and face-sharing TiS6 pentagonal pyramids. All Ti–S bond lengths are 2.48 Å. S2- is bonded to six equivalent Ti2+ atoms to form a mixture of distorted corner, edge, and face-sharing STi6 pentagonal pyramids.
DOI: 10.17188/1350111
title: Materials Data on Ti2InNi by Materials Project

description: Ti2NiIn 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 Ni and four equivalent In atoms. All Ti–Ni bond lengths are 2.78 Å. All Ti–In bond lengths are 2.78 Å. Ni is bonded in a body-centered cubic geometry to eight equivalent Ti atoms. In is bonded in a body-centered cubic geometry to eight equivalent Ti atoms.
DOI: 10.17188/1350112
title: Materials Data on NbCo3 by Materials Project

description: NbCo3 is Uranium Silicide structured and crystallizes in the cubic Pm-3m space group. The structure is three-dimensional. Nb is bonded to twelve equivalent Co atoms to form NbCo12 cuboctahedra that share corners with twelve equivalent NbCo12 cuboctahedra, edges with twenty-four equivalent CoNb4Co8 cuboctahedra, faces with six equivalent NbCo12 cuboctahedra, and faces with twelve equivalent CoNb4Co8 cuboctahedra. All Nb–Co bond lengths are 2.58 Å. Co is bonded to four equivalent Nb and eight equivalent Co atoms to form CoNb4Co8 cuboctahedra that share corners with twelve equivalent CoNb4Co8 cuboctahedra, edges with eight equivalent NbCo12 cuboctahedra, edges with sixteen equivalent CoNb4Co8 cuboctahedra, faces with four equivalent NbCo12 cuboctahedra, and faces with fourteen equivalent CoNb4Co8 cuboctahedra. All Co–Co bond lengths are 2.58 Å.
DOI: 10.17188/1350113
title: Materials Data on Sc2MnSn by Materials Project

description: Sc2MnSn 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 four equivalent Mn and four equivalent Sn atoms. All Sc–Mn bond lengths are 2.99 Å. All Sc–Sn bond lengths are 2.99 Å. Mn is bonded in a distorted body-centered cubic geometry to eight equivalent Sc atoms. Sn is bonded in a body-centered cubic geometry to eight equivalent Sc atoms.
DOI: 10.17188/1350114
title: Materials Data on Rb by Materials Project

description: Rb crystallizes in the orthorhombic Fddd space group. The structure is three-dimensional. Rb is bonded to seven equivalent Rb atoms to form a mixture of distorted edge and corner-sharing RbRb7 pentagonal bipyramids. There are a spread of Rb–Rb bond distances ranging from 4.61–4.98 Å.
DOI: 10.17188/1350115
title: Materials Data on HoFeC2 by Materials Project

description: HoFeC2 crystallizes in the orthorhombic Amm2 space group. The structure is three-dimensional. Ho3+ is bonded in a 8-coordinate geometry to eight equivalent C3- atoms. There are four shorter (2.60 Å) and four longer (2.68 Å) Ho–C bond lengths. Fe3+ is bonded in a 4-coordinate geometry to four equivalent C3- atoms. There is two shorter (1.91 Å) and two longer (1.99 Å) Fe–C bond length. C3- is bonded in a 7-coordinate geometry to four equivalent Ho3+, two equivalent Fe3+, and one C3- atom. The C–C bond length is 1.41 Å.
DOI: 10.17188/1350116
title: Materials Data on KInO2 by Materials Project

description: KInO2 is Caswellsilverite structured and crystallizes in the trigonal R-3m space group. The structure is three-dimensional. K1+ is bonded to six equivalent O2- atoms to form distorted KO6 octahedra that share corners with six equivalent InO6 octahedra, edges with six equivalent KO6 octahedra, and edges with six equivalent InO6 octahedra. The corner-sharing octahedral tilt angles are 14°. All K–O bond lengths are 2.75 Å. In3+ is bonded to six equivalent O2- atoms to form InO6 octahedra that share corners with six equivalent KO6 octahedra, edges with six equivalent KO6 octahedra, and edges with six equivalent InO6 octahedra. The corner-sharing octahedral tilt angles are 14°. All In–O bond lengths are 2.26 Å. O2- is bonded to three equivalent K1+ and three equivalent In3+ atoms to form a mixture of edge and corner-sharing OK3In3 octahedra. The corner-sharing octahedral tilt angles are 0°.
DOI: 10.17188/1350117
title: Materials Data on Mn3Sn by Materials Project

description: Mn3Sn is alpha bismuth trifluoride structured and crystallizes in the cubic Fm-3m space group. The structure is three-dimensional. there are two inequivalent Mn sites. In the first Mn site, Mn is bonded to four equivalent Mn and four equivalent Sn atoms to form a mixture of distorted edge, corner, and face-sharing MnMn4Sn4 tetrahedra. All Mn–Mn bond lengths are 2.65 Å. All Mn–Sn bond lengths are 2.65 Å. In the second Mn site, Mn is bonded in a 8-coordinate geometry to eight equivalent Mn and six equivalent Sn atoms. All Mn–Sn bond lengths are 3.06 Å. Sn is bonded in a distorted body-centered cubic geometry to fourteen Mn atoms.
DOI: 10.17188/1350118
title: Materials Data on LuAgO2 by Materials Project

description: LuAgO2 crystallizes in the trigonal R-3m space group. The structure is three-dimensional. Lu3+ is bonded to six equivalent O2- atoms to form edge-sharing LuO6 octahedra. All Lu–O bond lengths are 2.23 Å. Ag1+ is bonded in a linear geometry to two equivalent O2- atoms. Both Ag–O bond lengths are 2.10 Å. O2- is bonded to three equivalent Lu3+ and one Ag1+ atom to form a mixture of corner and edge-sharing OLu3Ag tetrahedra.
DOI: 10.17188/1350119
title: Materials Data on SrCdO2 by Materials Project

description: SrCdO2 is Caswellsilverite-like structured and crystallizes in the tetragonal P4/mmm space group. The structure is three-dimensional. Sr2+ is bonded to six O2- atoms to form SrO6 octahedra that share corners with six equivalent SrO6 octahedra, edges with four equivalent SrO6 octahedra, and edges with eight equivalent CdO6 octahedra. The corner-sharing octahedral tilt angles are 0°. There are two shorter (2.48 Å) and four longer (2.51 Å) Sr–O bond lengths. Cd2+ is bonded to six O2- atoms to form CdO6 octahedra that share corners with six equivalent CdO6 octahedra, edges with four equivalent CdO6 octahedra, and edges with eight equivalent SrO6 octahedra. The corner-sharing octahedral tilt angles are 0°. There are two shorter (2.48 Å) and four longer (2.51 Å) Cd–O bond lengths. There are two inequivalent O2- sites. In the first O2- site, O2- is bonded to four equivalent Sr2+ and two equivalent Cd2+ atoms to form a mixture of edge and corner-sharing OSr4Cd2 octahedra. The corner-sharing octahedral tilt angles are 0°. In the second O2- site, O2- is bonded to two equivalent Sr2+ and four equivalent Cd2+ atoms to form OSr2Cd4 octahedra that share corners with six equivalent OSr2Cd4 octahedra and edges with twelve OSr4Cd2 octahedra. The corner-sharing octahedral tilt angles are 0°.
DOI: 10.17188/1350120
title: Materials Data on LaN by Materials Project

description: LaN crystallizes in the tetragonal P4/nmm space group. The structure is two-dimensional and consists of one LaN sheet oriented in the (0, 0, 1) direction. La3+ is bonded to four equivalent N3- atoms to form a mixture of distorted corner and edge-sharing LaN4 trigonal pyramids. All La–N bond lengths are 2.44 Å. N3- is bonded to four equivalent La3+ atoms to form a mixture of distorted corner and edge-sharing NLa4 trigonal pyramids.
DOI: 10.17188/1350121
title: Materials Data on TiFeCoGe by Materials Project

description: CoFeTiGe is Tungsten-derived structured and crystallizes in the cubic F-43m space group. The structure is three-dimensional. Ti is bonded in a distorted body-centered cubic geometry to four equivalent Fe, four equivalent Co, and six equivalent Ge atoms. All Ti–Fe bond lengths are 2.52 Å. All Ti–Co bond lengths are 2.52 Å. All Ti–Ge bond lengths are 2.91 Å. Fe is bonded in a body-centered cubic geometry to four equivalent Ti and four equivalent Ge atoms. All Fe–Ge bond lengths are 2.52 Å. Co is bonded in a body-centered cubic geometry to four equivalent Ti and four equivalent Ge atoms. All Co–Ge bond lengths are 2.52 Å. Ge is bonded in a distorted body-centered cubic geometry to six equivalent Ti, four equivalent Fe, and four equivalent Co atoms.
DOI: 10.17188/1350122
title: Materials Data on LaSn by Materials Project

description: LaSn crystallizes in the orthorhombic Cmcm space group. The structure is three-dimensional. La is bonded in a 5-coordinate geometry to seven equivalent Sn atoms. There are a spread of La–Sn bond distances ranging from 3.33–3.61 Å. Sn is bonded in a 5-coordinate geometry to seven equivalent La and two equivalent Sn atoms. Both Sn–Sn bond lengths are 3.04 Å.
DOI: 10.17188/1350123
title: Materials Data on HfNi by Materials Project

description: HfNi crystallizes in the orthorhombic Cmcm space group. The structure is three-dimensional. Hf is bonded in a 7-coordinate geometry to seven equivalent Ni atoms. There are a spread of Hf–Ni bond distances ranging from 2.66–2.72 Å. Ni is bonded in a 7-coordinate geometry to seven equivalent Hf atoms.
DOI: 10.17188/1350124
title: Materials Data on NbInS2 by Materials Project

description: NbInS2 crystallizes in the hexagonal P-6m2 space group. The structure is three-dimensional. Nb3+ is bonded to six equivalent S2- atoms to form distorted edge-sharing NbS6 pentagonal pyramids. All Nb–S bond lengths are 2.49 Å. In1+ is bonded in a linear geometry to two equivalent S2- atoms. Both In–S bond lengths are 2.84 Å. S2- is bonded in a distorted rectangular see-saw-like geometry to three equivalent Nb3+ and one In1+ atom.
DOI: 10.17188/1350125
title: Materials Data on LiAg by Materials Project

description: LiAg crystallizes in the tetragonal I4_1/amd space group. The structure is three-dimensional. Li is bonded to eight equivalent Ag atoms to form a mixture of distorted edge, face, and corner-sharing LiAg8 cuboctahedra. There are four shorter (2.83 Å) and four longer (2.89 Å) Li–Ag bond lengths. Ag is bonded to eight equivalent Li atoms to form a mixture of distorted edge, face, and corner-sharing AgLi8 cuboctahedra.
DOI: 10.17188/1350126
title: Materials Data on GaSb by Materials Project

description: GaSb is Wurtzite structured and crystallizes in the hexagonal P6_3mc space group. The structure is three-dimensional. Ga3+ is bonded to four equivalent Sb3- atoms to form corner-sharing GaSb4 tetrahedra. There are three shorter (2.69 Å) and one longer (2.70 Å) Ga–Sb bond lengths. Sb3- is bonded to four equivalent Ga3+ atoms to form corner-sharing SbGa4 tetrahedra.
DOI: 10.17188/1350127
title: Materials Data on LaNiC2 by Materials Project

description: LaNiC2 crystallizes in the orthorhombic Amm2 space group. The structure is three-dimensional. La3+ is bonded in a 8-coordinate geometry to eight equivalent C+2.50- atoms. There are four shorter (2.80 Å) and four longer (2.83 Å) La–C bond lengths. Ni2+ is bonded in a 4-coordinate geometry to four equivalent C+2.50- atoms. There are two shorter (1.98 Å) and two longer (2.03 Å) Ni–C bond lengths. C+2.50- is bonded in a 7-coordinate geometry to four equivalent La3+, two equivalent Ni2+, and one C+2.50- atom. The C–C bond length is 1.36 Å.
DOI: 10.17188/1350128
title: Materials Data on Ti2InCo by Materials Project

description: Ti2CoIn 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 Co and four equivalent In atoms. All Ti–Co bond lengths are 2.78 Å. All Ti–In bond lengths are 2.78 Å. Co is bonded in a body-centered cubic geometry to eight equivalent Ti atoms. In is bonded in a body-centered cubic geometry to eight equivalent Ti atoms.