cometadata/datacite-titles-descriptions-related-identifiers huggingface dataset:
DOI: 10.17188/1311723
title: Materials Data on Ca2SnS4 by Materials Project

description: Ca2SnS4 crystallizes in the orthorhombic Pbca space group. The structure is three-dimensional. Ca2+ is bonded to six S2- atoms to form distorted CaS6 octahedra that share corners with two equivalent SnS6 octahedra, corners with ten equivalent CaS6 octahedra, an edgeedge with one CaS6 octahedra, edges with two equivalent SnS6 octahedra, and a faceface with one SnS6 octahedra. The corner-sharing octahedra tilt angles range from 37–73°. There are a spread of Ca–S bond distances ranging from 2.77–3.03 Å. Sn4+ is bonded to six S2- atoms to form SnS6 octahedra that share corners with four equivalent CaS6 octahedra, corners with four equivalent SnS6 octahedra, edges with four equivalent CaS6 octahedra, and faces with two equivalent CaS6 octahedra. The corner-sharing octahedra tilt angles range from 40–59°. There are a spread of Sn–S bond distances ranging from 2.50–2.68 Å. There are two inequivalent S2- sites. In the first S2- site, S2- is bonded to three equivalent Ca2+ and two equivalent Sn4+ atoms to form distorted SCa3Sn2 trigonal bipyramids that share corners with seven equivalent SCa3Sn tetrahedra, corners with two equivalent SCa3Sn2 trigonal bipyramids, edges with three equivalent SCa3Sn tetrahedra, and edges with five equivalent SCa3Sn2 trigonal bipyramids. In the second S2- site, S2- is bonded to three equivalent Ca2+ and one Sn4+ atom to form distorted SCa3Sn tetrahedra that share corners with seven equivalent SCa3Sn tetrahedra, corners with seven equivalent SCa3Sn2 trigonal bipyramids, and edges with three equivalent SCa3Sn2 trigonal bipyramids.
DOI: 10.17188/1311724
title: Materials Data on CaSnS3 by Materials Project

description: CaSnS3 crystallizes in the orthorhombic Amm2 space group. The structure is three-dimensional. Ca2+ is bonded in a 6-coordinate geometry to six S2- atoms. There are two shorter (2.78 Å) and four longer (2.85 Å) Ca–S bond lengths. Sn4+ is bonded in a distorted rectangular see-saw-like geometry to four equivalent S2- atoms. There are two shorter (2.55 Å) and two longer (3.14 Å) Sn–S bond lengths. There are two inequivalent S2- sites. In the first S2- site, S2- is bonded in a distorted L-shaped geometry to two equivalent Ca2+ atoms. In the second S2- site, S2- is bonded in a 3-coordinate geometry to two equivalent Ca2+ and two equivalent Sn4+ atoms.
DOI: 10.17188/1311725
title: Materials Data on CaSnS3 by Materials Project

description: CaSnS3 crystallizes in the orthorhombic Amm2 space group. The structure is three-dimensional. Ca2+ is bonded to six S2- atoms to form distorted CaS6 octahedra that share corners with two equivalent CaS6 octahedra, corners with six equivalent SnS6 octahedra, edges with two equivalent CaS6 octahedra, and faces with two equivalent SnS6 octahedra. The corner-sharing octahedra tilt angles range from 0–86°. There are a spread of Ca–S bond distances ranging from 2.84–2.94 Å. Sn4+ is bonded to six S2- atoms to form distorted SnS6 octahedra that share corners with six equivalent CaS6 octahedra, corners with six equivalent SnS6 octahedra, and faces with two equivalent CaS6 octahedra. The corner-sharing octahedra tilt angles range from 7–86°. There are a spread of Sn–S bond distances ranging from 2.70–2.93 Å. There are two inequivalent S2- sites. In the first S2- site, S2- is bonded in a square co-planar geometry to two equivalent Ca2+ and two equivalent Sn4+ atoms. In the second S2- site, S2- is bonded in a 5-coordinate geometry to two equivalent Ca2+, two equivalent Sn4+, and one S2- atom. The S–S bond length is 2.29 Å.
DOI: 10.17188/1311726
title: Materials Data on Ca2SnS4 by Materials Project

description: Ca2SnS4 crystallizes in the tetragonal I-4 space group. The structure is three-dimensional. there are two inequivalent Ca2+ sites. In the first Ca2+ site, Ca2+ is bonded to four equivalent S2- atoms to form CaS4 tetrahedra that share corners with four equivalent CaS4 tetrahedra and corners with four equivalent SnS4 tetrahedra. All Ca–S bond lengths are 2.75 Å. In the second Ca2+ site, Ca2+ is bonded to four equivalent S2- atoms to form CaS4 tetrahedra that share corners with four equivalent CaS4 tetrahedra and corners with four equivalent SnS4 tetrahedra. All Ca–S bond lengths are 2.73 Å. Sn4+ is bonded to four equivalent S2- atoms to form SnS4 tetrahedra that share corners with eight CaS4 tetrahedra. All Sn–S bond lengths are 2.42 Å. S2- is bonded in a trigonal non-coplanar geometry to two Ca2+ and one Sn4+ atom.
DOI: 10.17188/1311727
title: Materials Data on CaSnS3 by Materials Project

description: CaSnS3 crystallizes in the orthorhombic Pnma space group. The structure is three-dimensional. Ca2+ is bonded in a 7-coordinate geometry to seven S2- atoms. There are a spread of Ca–S bond distances ranging from 2.82–3.29 Å. Sn4+ is bonded to six S2- atoms to form face-sharing SnS6 octahedra. There are a spread of Sn–S bond distances ranging from 2.52–2.65 Å. There are two inequivalent S2- sites. In the first S2- site, S2- is bonded in a distorted T-shaped geometry to one Ca2+ and two equivalent Sn4+ atoms. In the second S2- site, S2- is bonded in a 5-coordinate geometry to three equivalent Ca2+ and two equivalent Sn4+ atoms.
DOI: 10.17188/1311728
title: Materials Data on CaSnS3 by Materials Project

description: CaSnS3 crystallizes in the monoclinic P2_1/c space group. The structure is three-dimensional. Ca2+ is bonded to six S2- atoms to form distorted CaS6 octahedra that share corners with four equivalent CaS6 octahedra, corners with five equivalent SnS4 tetrahedra, edges with two equivalent CaS6 octahedra, and an edgeedge with one SnS4 tetrahedra. The corner-sharing octahedra tilt angles range from 55–69°. There are a spread of Ca–S bond distances ranging from 2.80–3.29 Å. Sn4+ is bonded to four S2- atoms to form SnS4 tetrahedra that share corners with five equivalent CaS6 octahedra, corners with two equivalent SnS4 tetrahedra, and an edgeedge with one CaS6 octahedra. The corner-sharing octahedra tilt angles range from 59–75°. There are a spread of Sn–S bond distances ranging from 2.36–2.46 Å. There are three inequivalent S2- sites. In the first S2- site, S2- is bonded in a distorted trigonal non-coplanar geometry to one Ca2+ and two equivalent Sn4+ atoms. In the second S2- site, S2- is bonded in a distorted trigonal non-coplanar geometry to two equivalent Ca2+ and one Sn4+ atom. In the third S2- site, S2- is bonded to three equivalent Ca2+ and one Sn4+ atom to form a mixture of edge and corner-sharing SCa3Sn tetrahedra.
DOI: 10.17188/1311729
title: Materials Data on Ca2SnS4 by Materials Project

description: Ca2SnS4 is Spinel-like structured and crystallizes in the tetragonal P4_122 space group. The structure is three-dimensional. there are two inequivalent Ca2+ sites. In the first Ca2+ site, Ca2+ is bonded to six S2- atoms to form CaS6 octahedra that share corners with six equivalent CaS4 tetrahedra, edges with two equivalent CaS6 octahedra, and edges with four equivalent SnS6 octahedra. There are a spread of Ca–S bond distances ranging from 2.82–2.87 Å. In the second Ca2+ site, Ca2+ is bonded to four S2- atoms to form CaS4 tetrahedra that share corners with six equivalent CaS6 octahedra and corners with six equivalent SnS6 octahedra. The corner-sharing octahedra tilt angles range from 51–66°. There are two shorter (2.71 Å) and two longer (2.72 Å) Ca–S bond lengths. Sn4+ is bonded to six S2- atoms to form SnS6 octahedra that share corners with six equivalent CaS4 tetrahedra, edges with two equivalent SnS6 octahedra, and edges with four equivalent CaS6 octahedra. There are a spread of Sn–S bond distances ranging from 2.55–2.67 Å. There are two inequivalent S2- sites. In the first S2- site, S2- is bonded in a rectangular see-saw-like geometry to three Ca2+ and one Sn4+ atom. In the second S2- site, S2- is bonded to two Ca2+ and two equivalent Sn4+ atoms to form a mixture of distorted corner and edge-sharing SCa2Sn2 trigonal pyramids.
DOI: 10.17188/1311730
title: Materials Data on CaSnS3 by Materials Project

description: CaSnS3 crystallizes in the trigonal R-3m space group. The structure is three-dimensional. there are two inequivalent Ca2+ sites. In the first Ca2+ site, Ca2+ is bonded in a hexagonal planar geometry to six equivalent S2- atoms. All Ca–S bond lengths are 3.38 Å. In the second Ca2+ site, Ca2+ is bonded in a distorted q6 geometry to nine equivalent S2- atoms. There are six shorter (3.39 Å) and three longer (3.51 Å) Ca–S bond lengths. There are two inequivalent Sn4+ sites. In the first Sn4+ site, Sn4+ is bonded to six equivalent S2- atoms to form face-sharing SnS6 octahedra. All Sn–S bond lengths are 2.56 Å. In the second Sn4+ site, Sn4+ is bonded to six S2- atoms to form a mixture of corner and face-sharing SnS6 octahedra. The corner-sharing octahedral tilt angles are 0°. There are three shorter (2.52 Å) and three longer (2.57 Å) Sn–S bond lengths. There are two inequivalent S2- sites. In the first S2- site, S2- is bonded in a distorted square co-planar geometry to two equivalent Ca2+ and two equivalent Sn4+ atoms. In the second S2- site, S2- is bonded in a 4-coordinate geometry to three equivalent Ca2+ and two Sn4+ atoms.
DOI: 10.17188/1311731
title: Materials Data on Ca5Sn4S13 by Materials Project

description: Ca5Sn4S13 crystallizes in the tetragonal I4/mmm space group. The structure is three-dimensional. there are three inequivalent Ca2+ sites. In the first Ca2+ site, Ca2+ is bonded to twelve S2- atoms to form CaS12 cuboctahedra that share corners with four equivalent CaS12 cuboctahedra, faces with four equivalent CaS12 cuboctahedra, and faces with eight equivalent SnS6 octahedra. There are eight shorter (3.51 Å) and four longer (3.55 Å) Ca–S bond lengths. In the second Ca2+ site, Ca2+ is bonded in a 5-coordinate geometry to five S2- atoms. There are one shorter (2.73 Å) and four longer (3.05 Å) Ca–S bond lengths. In the third Ca2+ site, Ca2+ is bonded in a 12-coordinate geometry to four equivalent S2- atoms. All Ca–S bond lengths are 3.25 Å. There are two inequivalent Sn4+ sites. In the first Sn4+ site, Sn4+ is bonded to six S2- atoms to form SnS6 octahedra that share corners with six SnS6 octahedra and faces with four equivalent CaS12 cuboctahedra. The corner-sharing octahedra tilt angles range from 0–3°. There are one shorter (2.46 Å) and five longer (2.51 Å) Sn–S bond lengths. In the second Sn4+ site, Sn4+ is bonded to six S2- atoms to form distorted corner-sharing SnS6 octahedra. The corner-sharing octahedra tilt angles range from 0–24°. There are a spread of Sn–S bond distances ranging from 2.39–2.68 Å. There are six inequivalent S2- sites. In the first S2- site, S2- is bonded in a linear geometry to four equivalent Ca2+ and two equivalent Sn4+ atoms. In the second S2- site, S2- is bonded in a linear geometry to two Sn4+ atoms. In the third S2- site, S2- is bonded in a linear geometry to one Ca2+ and one Sn4+ atom. In the fourth S2- site, S2- is bonded in a 6-coordinate geometry to four Ca2+ and two equivalent Sn4+ atoms. In the fifth S2- site, S2- is bonded in a distorted see-saw-like geometry to two equivalent Ca2+ and two equivalent Sn4+ atoms. In the sixth S2- site, S2- is bonded in a linear geometry to four equivalent Ca2+ and two equivalent Sn4+ atoms. All S–Ca bond lengths are 3.55 Å. Both S–Sn bond lengths are 2.51 Å.
DOI: 10.17188/1311732
title: Materials Data on CoMoH2SeO7 (SG:2) by Materials Project

description: Computed materials data using density functional theory calculations. These calculations determine the electronic structure of bulk materials by solving approximations to the Schrodinger equation. For more information, see https://materialsproject.org/docs/calculations
DOI: 10.17188/1311733
title: Materials Data on ErCd by Materials Project

description: ErCd is Tetraauricupride structured and crystallizes in the cubic Pm-3m space group. The structure is three-dimensional. Er is bonded in a body-centered cubic geometry to eight equivalent Cd atoms. All Er–Cd bond lengths are 3.22 Å. Cd is bonded in a body-centered cubic geometry to eight equivalent Er atoms.
DOI: 10.17188/1311734
title: Materials Data on Ca3CrN3 by Materials Project

description: Ca3CrN3 crystallizes in the orthorhombic Cmcm space group. The structure is three-dimensional. there are two inequivalent Ca2+ sites. In the first Ca2+ site, Ca2+ is bonded to five N3- atoms to form a mixture of distorted edge and corner-sharing CaN5 square pyramids. There are a spread of Ca–N bond distances ranging from 2.42–2.76 Å. In the second Ca2+ site, Ca2+ is bonded to five N3- atoms to form a mixture of edge and corner-sharing CaN5 square pyramids. There are a spread of Ca–N bond distances ranging from 2.40–2.61 Å. Cr3+ is bonded in a trigonal planar geometry to three N3- atoms. There is two shorter (1.77 Å) and one longer (1.82 Å) Cr–N bond length. There are two inequivalent N3- sites. In the first N3- site, N3- is bonded to five Ca2+ and one Cr3+ atom to form a mixture of distorted edge and corner-sharing NCa5Cr octahedra. The corner-sharing octahedra tilt angles range from 9–48°. In the second N3- site, N3- is bonded to five Ca2+ and one Cr3+ atom to form a mixture of edge and corner-sharing NCa5Cr octahedra. The corner-sharing octahedral tilt angles are 9°.
DOI: 10.17188/1311735
title: Materials Data on Th2Ni7 by Materials Project

description: Th2Ni7 crystallizes in the hexagonal P6_3/mmc space group. The structure is three-dimensional. there are two inequivalent Th sites. In the first Th site, Th is bonded in a 6-coordinate geometry to eighteen Ni atoms. There are a spread of Th–Ni bond distances ranging from 2.88–3.34 Å. In the second Th site, Th is bonded in a 12-coordinate geometry to twelve Ni atoms. There are a spread of Th–Ni bond distances ranging from 2.82–3.24 Å. There are five inequivalent Ni sites. In the first Ni site, Ni is bonded in a 12-coordinate geometry to three equivalent Th and nine Ni atoms. There are a spread of Ni–Ni bond distances ranging from 2.48–2.87 Å. In the second Ni site, Ni is bonded to four equivalent Th and eight Ni atoms to form a mixture of corner, edge, and face-sharing NiTh4Ni8 cuboctahedra. There are four shorter (2.49 Å) and two longer (2.50 Å) Ni–Ni bond lengths. In the third Ni site, Ni is bonded to five Th and seven Ni atoms to form a mixture of distorted corner, edge, and face-sharing NiTh5Ni7 cuboctahedra. There are a spread of Ni–Ni bond distances ranging from 2.48–2.56 Å. In the fourth Ni site, Ni is bonded to six equivalent Th and six equivalent Ni atoms to form NiTh6Ni6 cuboctahedra that share corners with twelve equivalent NiTh5Ni7 cuboctahedra, edges with six equivalent NiTh6Ni6 cuboctahedra, and faces with eighteen equivalent NiTh5Ni7 cuboctahedra. In the fifth Ni site, Ni is bonded in a 12-coordinate geometry to three equivalent Th and nine Ni atoms.
DOI: 10.17188/1311741
title: Materials Data on TiMnH12(OF)6 (SG:148) by Materials Project

description: Computed materials data using density functional theory calculations. These calculations determine the electronic structure of bulk materials by solving approximations to the Schrodinger equation. For more information, see https://materialsproject.org/docs/calculations
DOI: 10.17188/1311742
title: Materials Data on BeSiOs2 by Materials Project

description: BeOs2Si is Heusler structured and crystallizes in the cubic Fm-3m space group. The structure is three-dimensional and consists of four beryllium molecules and one Os2Si framework. In the Os2Si framework, Os1+ is bonded to four equivalent Si4- atoms to form a mixture of edge and corner-sharing OsSi4 tetrahedra. All Os–Si bond lengths are 2.50 Å. Si4- is bonded in a body-centered cubic geometry to eight equivalent Os1+ atoms.
DOI: 10.17188/1311743
title: Materials Data on LiDyTl2 by Materials Project

description: LiDyTl2 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 Tl atoms. All Li–Tl bond lengths are 3.19 Å. Dy is bonded in a body-centered cubic geometry to eight equivalent Tl atoms. All Dy–Tl bond lengths are 3.19 Å. Tl is bonded in a body-centered cubic geometry to four equivalent Li and four equivalent Dy atoms.
DOI: 10.17188/1311744
title: Materials Data on ScZn2Ag by Materials Project

description: ScAgZn2 is Heusler structured and crystallizes in the cubic Fm-3m space group. The structure is three-dimensional. Sc is bonded in a distorted body-centered cubic geometry to six equivalent Ag and eight equivalent Zn atoms. All Sc–Ag bond lengths are 3.24 Å. All Sc–Zn bond lengths are 2.81 Å. Ag is bonded in a distorted body-centered cubic geometry to six equivalent Sc and eight equivalent Zn atoms. All Ag–Zn bond lengths are 2.81 Å. Zn is bonded in a body-centered cubic geometry to four equivalent Sc and four equivalent Ag atoms.
DOI: 10.17188/1311745
title: Materials Data on Sc2CoOs by Materials Project

description: Sc2OsCo 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 Os and four equivalent Co atoms. All Sc–Os bond lengths are 2.76 Å. All Sc–Co bond lengths are 2.76 Å. Os is bonded in a body-centered cubic geometry to eight equivalent Sc atoms. Co is bonded in a body-centered cubic geometry to eight equivalent Sc atoms.
DOI: 10.17188/1311746
title: Materials Data on LiDy2Ru by Materials Project

description: LiDy2Ru 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 Dy atoms. All Li–Dy bond lengths are 3.01 Å. Dy is bonded in a body-centered cubic geometry to four equivalent Li and four equivalent Ru atoms. All Dy–Ru bond lengths are 3.01 Å. Ru is bonded in a body-centered cubic geometry to eight equivalent Dy atoms.
DOI: 10.17188/1311747
title: Materials Data on AcInTe2 (SG:225) by Materials Project

description: Computed materials data using density functional theory calculations. These calculations determine the electronic structure of bulk materials by solving approximations to the Schrodinger equation. For more information, see https://materialsproject.org/docs/calculations
DOI: 10.17188/1311748
title: Materials Data on Ca2AsAu by Materials Project

description: Ca2AuAs is Heusler structured and crystallizes in the cubic Fm-3m space group. The structure is three-dimensional. Ca2+ is bonded in a body-centered cubic geometry to four equivalent Au1- and four equivalent As3- atoms. All Ca–Au bond lengths are 3.15 Å. All Ca–As bond lengths are 3.15 Å. Au1- is bonded in a body-centered cubic geometry to eight equivalent Ca2+ atoms. As3- is bonded in a body-centered cubic geometry to eight equivalent Ca2+ atoms.
DOI: 10.17188/1311749
title: Materials Data on TaBeRu2 by Materials Project

description: BeTaRu2 is Heusler structured and crystallizes in the cubic Fm-3m space group. The structure is three-dimensional. Be is bonded in a body-centered cubic geometry to eight equivalent Ru atoms. All Be–Ru bond lengths are 2.62 Å. Ta is bonded in a body-centered cubic geometry to eight equivalent Ru atoms. All Ta–Ru bond lengths are 2.62 Å. Ru is bonded in a body-centered cubic geometry to four equivalent Be and four equivalent Ta atoms.
DOI: 10.17188/1311750
title: Materials Data on LiCd2Rh by Materials Project

description: LiRhCd2 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 six equivalent Rh and eight equivalent Cd atoms. All Li–Rh bond lengths are 3.25 Å. All Li–Cd bond lengths are 2.82 Å. Rh is bonded in a distorted body-centered cubic geometry to six equivalent Li and eight equivalent Cd atoms. All Rh–Cd bond lengths are 2.82 Å. Cd is bonded in a body-centered cubic geometry to four equivalent Li and four equivalent Rh atoms.
DOI: 10.17188/1311751
title: Materials Data on BeGaIr2 by Materials Project

description: BeIr2Ga is Heusler structured and crystallizes in the cubic Fm-3m space group. The structure is three-dimensional. Be is bonded in a body-centered cubic geometry to eight equivalent Ir atoms. All Be–Ir bond lengths are 2.55 Å. Ir is bonded in a body-centered cubic geometry to four equivalent Be and four equivalent Ga atoms. All Ir–Ga bond lengths are 2.55 Å. Ga is bonded in a body-centered cubic geometry to eight equivalent Ir atoms.
DOI: 10.17188/1311752
title: Materials Data on Sc2CuPt by Materials Project

description: Sc2PtCu 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 Pt and four equivalent Cu atoms. All Sc–Pt bond lengths are 2.83 Å. All Sc–Cu bond lengths are 2.83 Å. Pt is bonded in a body-centered cubic geometry to eight equivalent Sc atoms. Cu is bonded in a body-centered cubic geometry to eight equivalent Sc atoms.
DOI: 10.17188/1311753
title: Materials Data on LaSnAu2 by Materials Project

description: LaAu2Sn 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 3.15 Å. Au is bonded in a body-centered cubic geometry to four equivalent La and four equivalent Sn atoms. All Au–Sn bond lengths are 3.15 Å. Sn is bonded in a distorted body-centered cubic geometry to eight equivalent Au atoms.
DOI: 10.17188/1311754
title: Materials Data on LiHfPd2 by Materials Project

description: LiHfPd2 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 2.77 Å. Hf is bonded in a body-centered cubic geometry to eight equivalent Pd atoms. All Hf–Pd bond lengths are 2.77 Å. Pd is bonded in a body-centered cubic geometry to four equivalent Li and four equivalent Hf atoms.
DOI: 10.17188/1311755
title: Materials Data on TaMn2Al by Materials Project

description: TaMn2Al is Heusler structured and crystallizes in the cubic Fm-3m space group. The structure is three-dimensional. Ta is bonded in a distorted body-centered cubic geometry to eight equivalent Mn atoms. All Ta–Mn bond lengths are 2.60 Å. Mn is bonded in a body-centered cubic geometry to four equivalent Ta and four equivalent Al atoms. All Mn–Al bond lengths are 2.60 Å. Al is bonded in a distorted body-centered cubic geometry to eight equivalent Mn atoms.
DOI: 10.17188/1311756
title: Materials Data on LiY2Pt by Materials Project

description: LiY2Pt 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 Y atoms. All Li–Y bond lengths are 3.06 Å. Y is bonded in a body-centered cubic geometry to four equivalent Li and four equivalent Pt atoms. All Y–Pt bond lengths are 3.06 Å. Pt is bonded in a body-centered cubic geometry to eight equivalent Y atoms.
DOI: 10.17188/1311757
title: Materials Data on Ac2CuSi by Materials Project

description: Ac2CuSi is Heusler structured and crystallizes in the cubic Fm-3m space group. The structure is three-dimensional. Ac is bonded in a body-centered cubic geometry to four equivalent Cu and four equivalent Si atoms. All Ac–Cu bond lengths are 3.31 Å. All Ac–Si bond lengths are 3.31 Å. Cu is bonded in a body-centered cubic geometry to eight equivalent Ac atoms. Si is bonded in a body-centered cubic geometry to eight equivalent Ac atoms.
DOI: 10.17188/1311758
title: Materials Data on TaTiOs2 by Materials Project

description: TiTaOs2 is Heusler structured and crystallizes in the cubic Fm-3m space group. The structure is three-dimensional. Ti is bonded in a body-centered cubic geometry to eight equivalent Os atoms. All Ti–Os bond lengths are 2.72 Å. Ta is bonded in a body-centered cubic geometry to eight equivalent Os atoms. All Ta–Os bond lengths are 2.72 Å. Os is bonded in a body-centered cubic geometry to four equivalent Ti and four equivalent Ta atoms.