cometadata/datacite-titles-descriptions-related-identifiers huggingface dataset:
DOI: 10.17188/1663624
title: Materials Data on Tl5In3Se8 by Materials Project

description: Tl5In3Se8 crystallizes in the tetragonal P-42m space group. The structure is three-dimensional. there are three inequivalent Tl+1.40+ sites. In the first Tl+1.40+ site, Tl+1.40+ is bonded in a 8-coordinate geometry to eight Se2- atoms. There are four shorter (3.50 Å) and four longer (3.54 Å) Tl–Se bond lengths. In the second Tl+1.40+ site, Tl+1.40+ is bonded in a 8-coordinate geometry to eight Se2- atoms. There are four shorter (3.54 Å) and four longer (3.56 Å) Tl–Se bond lengths. In the third Tl+1.40+ site, Tl+1.40+ is bonded to four equivalent Se2- atoms to form TlSe4 tetrahedra that share edges with two equivalent InSe4 tetrahedra. All Tl–Se bond lengths are 2.73 Å. There are three inequivalent In3+ sites. In the first In3+ site, In3+ is bonded to four equivalent Se2- atoms to form edge-sharing InSe4 tetrahedra. All In–Se bond lengths are 2.66 Å. In the second In3+ site, In3+ is bonded to four equivalent Se2- atoms to form edge-sharing InSe4 tetrahedra. All In–Se bond lengths are 2.66 Å. In the third In3+ site, In3+ is bonded to four equivalent Se2- atoms to form InSe4 tetrahedra that share edges with two equivalent TlSe4 tetrahedra. All In–Se bond lengths are 2.65 Å. There are two inequivalent Se2- sites. In the first Se2- site, Se2- is bonded in a 2-coordinate geometry to four Tl+1.40+ and two In3+ atoms. In the second Se2- site, Se2- is bonded in a 2-coordinate geometry to five Tl+1.40+ and one In3+ atom.
DOI: 10.17188/1663625
title: Materials Data on Li2Al2(SiO4)3 by Materials Project

description: Li2Al2(SiO4)3 crystallizes in the orthorhombic Fdd2 space group. The structure is three-dimensional. Li is bonded in a 5-coordinate geometry to five O atoms. There are a spread of Li–O bond distances ranging from 2.01–2.30 Å. Al is bonded to four O atoms to form AlO4 tetrahedra that share corners with four SiO4 tetrahedra. There are a spread of Al–O bond distances ranging from 1.73–1.78 Å. There are two inequivalent Si sites. In the first Si site, Si is bonded to four O atoms to form SiO4 tetrahedra that share corners with two equivalent AlO4 tetrahedra and corners with two equivalent SiO4 tetrahedra. There is two shorter (1.62 Å) and two longer (1.64 Å) Si–O bond length. In the second Si site, Si is bonded to four O atoms to form SiO4 tetrahedra that share a cornercorner with one SiO4 tetrahedra and corners with three equivalent AlO4 tetrahedra. There is three shorter (1.63 Å) and one longer (1.65 Å) Si–O bond length. There are six inequivalent O sites. In the first O site, O is bonded in a trigonal planar geometry to one Li, one Al, and one Si atom. In the second O site, O is bonded in a distorted trigonal planar geometry to one Li, one Al, and one Si atom. In the third O site, O is bonded in a bent 150 degrees geometry to two Si atoms. In the fourth O site, O is bonded in a distorted bent 150 degrees geometry to two equivalent Li atoms. In the fifth O site, O is bonded in a bent 150 degrees geometry to one Al and one Si atom. In the sixth O site, O is bonded in a 2-coordinate geometry to one Li, one Al, and one Si atom.
DOI: 10.17188/1663627
title: Materials Data on Cs5Re6S8Cl7 by Materials Project

description: Cs5Re6S8Cl7 crystallizes in the trigonal R3c space group. The structure is three-dimensional. there are three inequivalent Cs1+ sites. In the first Cs1+ site, Cs1+ is bonded in a 9-coordinate geometry to four S2- and five Cl1- atoms. There are a spread of Cs–S bond distances ranging from 3.66–3.84 Å. There are a spread of Cs–Cl bond distances ranging from 3.31–3.91 Å. In the second Cs1+ site, Cs1+ is bonded in a 10-coordinate geometry to six S2- and four Cl1- atoms. There are three shorter (3.63 Å) and three longer (4.01 Å) Cs–S bond lengths. There are one shorter (3.67 Å) and three longer (3.73 Å) Cs–Cl bond lengths. In the third Cs1+ site, Cs1+ is bonded in a 9-coordinate geometry to six S2- and three equivalent Cl1- atoms. There are three shorter (3.66 Å) and three longer (4.00 Å) Cs–S bond lengths. All Cs–Cl bond lengths are 3.66 Å. There are two inequivalent Re3+ sites. In the first Re3+ site, Re3+ is bonded to four S2- and one Cl1- atom to form edge-sharing ReS4Cl square pyramids. There are one shorter (2.42 Å) and three longer (2.43 Å) Re–S bond lengths. The Re–Cl bond length is 2.45 Å. In the second Re3+ site, Re3+ is bonded to four S2- and one Cl1- atom to form edge-sharing ReS4Cl square pyramids. There are one shorter (2.42 Å) and three longer (2.43 Å) Re–S bond lengths. The Re–Cl bond length is 2.44 Å. There are four inequivalent S2- sites. In the first S2- site, S2- is bonded in a 5-coordinate geometry to three Cs1+ and three Re3+ atoms. In the second S2- site, S2- is bonded in a 5-coordinate geometry to three Cs1+ and three Re3+ atoms. In the third S2- site, S2- is bonded in a 6-coordinate geometry to three equivalent Cs1+ and three equivalent Re3+ atoms. In the fourth S2- site, S2- is bonded in a 6-coordinate geometry to three equivalent Cs1+ and three equivalent Re3+ atoms. There are three inequivalent Cl1- sites. In the first Cl1- site, Cl1- is bonded in a distorted single-bond geometry to three Cs1+ and one Re3+ atom. In the second Cl1- site, Cl1- is bonded in a distorted single-bond geometry to three Cs1+ and one Re3+ atom. In the third Cl1- site, Cl1- is bonded in a tetrahedral geometry to four Cs1+ atoms.
DOI: 10.17188/1663628
title: Materials Data on UH2Cl2O3 by Materials Project

description: UO2Cl2H2O crystallizes in the monoclinic P2_1/m space group. The structure is one-dimensional and consists of two water molecules and one UO2Cl2 ribbon oriented in the (0, 1, 0) direction. In the UO2Cl2 ribbon, U6+ is bonded in a distorted linear geometry to two O2- and four equivalent Cl1- atoms. Both U–O bond lengths are 1.78 Å. All U–Cl bond lengths are 2.80 Å. There are two inequivalent O2- sites. In the first O2- site, O2- is bonded in a single-bond geometry to one U6+ atom. In the second O2- site, O2- is bonded in a single-bond geometry to one U6+ atom. Cl1- is bonded in a water-like geometry to two equivalent U6+ atoms.
DOI: 10.17188/1663629
title: Materials Data on CeThN2 by Materials Project

description: ThCeN2 is Caswellsilverite structured and crystallizes in the trigonal R-3m space group. The structure is three-dimensional. Th is bonded to six equivalent N atoms to form ThN6 octahedra that share corners with six equivalent CeN6 octahedra, edges with six equivalent ThN6 octahedra, and edges with six equivalent CeN6 octahedra. The corner-sharing octahedral tilt angles are 0°. All Th–N bond lengths are 2.57 Å. Ce is bonded to six equivalent N atoms to form CeN6 octahedra that share corners with six equivalent ThN6 octahedra, edges with six equivalent ThN6 octahedra, and edges with six equivalent CeN6 octahedra. The corner-sharing octahedral tilt angles are 0°. All Ce–N bond lengths are 2.55 Å. N is bonded to three equivalent Th and three equivalent Ce atoms to form a mixture of corner and edge-sharing NCe3Th3 octahedra. The corner-sharing octahedral tilt angles are 0°.
DOI: 10.17188/1663630
title: Materials Data on Cd3(GaTe3)2 by Materials Project

description: Cd3(GaTe3)2 crystallizes in the monoclinic C2 space group. The structure is three-dimensional. there are two inequivalent Cd2+ sites. In the first Cd2+ site, Cd2+ is bonded to four Te2- atoms to form CdTe4 tetrahedra that share corners with five CdTe4 tetrahedra and corners with five equivalent GaTe4 tetrahedra. There are a spread of Cd–Te bond distances ranging from 2.83–2.88 Å. In the second Cd2+ site, Cd2+ is bonded to four Te2- atoms to form CdTe4 tetrahedra that share corners with four equivalent GaTe4 tetrahedra and corners with six equivalent CdTe4 tetrahedra. There are two shorter (2.82 Å) and two longer (2.94 Å) Cd–Te bond lengths. Ga3+ is bonded to four Te2- atoms to form GaTe4 tetrahedra that share corners with two equivalent GaTe4 tetrahedra and corners with seven CdTe4 tetrahedra. There are a spread of Ga–Te bond distances ranging from 2.64–2.71 Å. There are three inequivalent Te2- sites. In the first Te2- site, Te2- is bonded in a trigonal non-coplanar geometry to one Cd2+ and two equivalent Ga3+ atoms. In the second Te2- site, Te2- is bonded in a trigonal non-coplanar geometry to two Cd2+ and one Ga3+ atom. In the third Te2- site, Te2- is bonded to three Cd2+ and one Ga3+ atom to form corner-sharing TeCd3Ga tetrahedra.
DOI: 10.17188/1663631
title: Materials Data on CoTe(PbO2)2 by Materials Project

description: CoTe(PbO2)2 crystallizes in the monoclinic C2/m space group. The structure is three-dimensional. Co4+ is bonded in a square co-planar geometry to four equivalent O2- atoms. All Co–O bond lengths are 2.01 Å. Pb3+ is bonded in a 4-coordinate geometry to four equivalent O2- atoms. There are two shorter (2.40 Å) and two longer (2.41 Å) Pb–O bond lengths. Te2- is bonded in a square co-planar geometry to four equivalent O2- atoms. All Te–O bond lengths are 2.25 Å. O2- is bonded to one Co4+, two equivalent Pb3+, and one Te2- atom to form a mixture of distorted edge and corner-sharing OCoTePb2 tetrahedra.
DOI: 10.17188/1663632
title: Materials Data on V2O5 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: 10.17188/1663633
title: Materials Data on LiGe2Ir by Materials Project

description: LiIrGe2 crystallizes in the orthorhombic Immm space group. The structure is one-dimensional and consists of two LiIrGe2 ribbons oriented in the (1, 0, 0) direction. Li is bonded in a linear geometry to two equivalent Ge atoms. Both Li–Ge bond lengths are 2.60 Å. Ir is bonded in a linear geometry to two equivalent Ge atoms. Both Ir–Ge bond lengths are 2.31 Å. Ge is bonded in a linear geometry to one Li and one Ir atom.
DOI: 10.17188/1663634
title: Materials Data on Mn3Zn2AsO12 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: 10.17188/1663635
title: Materials Data on Mn10CuGe5 by Materials Project

description: Mn10CuGe5 crystallizes in the tetragonal I422 space group. The structure is three-dimensional. there are two inequivalent Mn sites. In the first Mn site, Mn is bonded in a 4-coordinate geometry to four equivalent Ge atoms. All Mn–Ge bond lengths are 2.46 Å. In the second Mn site, Mn is bonded in a 6-coordinate geometry to one Cu and five Ge atoms. The Mn–Cu bond length is 2.55 Å. There are a spread of Mn–Ge bond distances ranging from 2.49–2.76 Å. Cu is bonded in a distorted q6 geometry to eight equivalent Mn and two equivalent Ge atoms. Both Cu–Ge bond lengths are 2.41 Å. There are two inequivalent Ge sites. In the first Ge site, Ge is bonded in a 10-coordinate geometry to ten Mn atoms. In the second Ge site, Ge is bonded in a distorted q6 geometry to eight equivalent Mn and two equivalent Cu atoms.
DOI: 10.17188/1663637
title: Materials Data on Ta2V3Cu by Materials Project

description: Ta2V3Cu crystallizes in the hexagonal P6_3/mmc space group. The structure is three-dimensional. Ta is bonded in a 3-coordinate geometry to four equivalent Ta, nine equivalent V, and three equivalent Cu atoms. There are three shorter (3.02 Å) and one longer (3.20 Å) Ta–Ta bond lengths. There are three shorter (2.93 Å) and six longer (2.95 Å) Ta–V bond lengths. All Ta–Cu bond lengths are 2.90 Å. V is bonded to six equivalent Ta, four equivalent V, and two equivalent Cu atoms to form distorted VTa6V4Cu2 cuboctahedra that share corners with four equivalent CuTa6V6 cuboctahedra, corners with fourteen equivalent VTa6V4Cu2 cuboctahedra, edges with six equivalent VTa6V4Cu2 cuboctahedra, faces with six equivalent CuTa6V6 cuboctahedra, and faces with twelve equivalent VTa6V4Cu2 cuboctahedra. There are two shorter (2.37 Å) and two longer (2.58 Å) V–V bond lengths. Both V–Cu bond lengths are 2.57 Å. Cu is bonded to six equivalent Ta and six equivalent V atoms to form CuTa6V6 cuboctahedra that share corners with twelve equivalent VTa6V4Cu2 cuboctahedra, edges with six equivalent CuTa6V6 cuboctahedra, faces with two equivalent CuTa6V6 cuboctahedra, and faces with eighteen equivalent VTa6V4Cu2 cuboctahedra.
DOI: 10.17188/1663638
title: Materials Data on Na2AlGe2 by Materials Project

description: Na2AlGe2 crystallizes in the tetragonal P4/mmm space group. The structure is zero-dimensional and consists of one Na2AlGe2 cluster. Na is bonded in a distorted single-bond geometry to one Ge atom. The Na–Ge bond length is 2.92 Å. Al is bonded in a distorted linear geometry to two equivalent Ge atoms. Both Al–Ge bond lengths are 2.59 Å. Ge is bonded in a distorted linear geometry to one Na and one Al atom.
DOI: 10.17188/1663639
title: Materials Data on CsCuN 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: 10.17188/1663640
title: Materials Data on ZrFeF6 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: 10.17188/1663642
title: Materials Data on V10(SiGe)3 by Materials Project

description: V10(GeSi)3 crystallizes in the hexagonal P-62m space group. The structure is three-dimensional. there are three inequivalent V sites. In the first V site, V is bonded in a 8-coordinate geometry to two equivalent V, three equivalent Ge, and three equivalent Si atoms. There are one shorter (2.40 Å) and one longer (2.50 Å) V–V bond lengths. All V–Ge bond lengths are 2.54 Å. All V–Si bond lengths are 2.52 Å. In the second V site, V is bonded in a 5-coordinate geometry to three equivalent Ge and two equivalent Si atoms. There are two shorter (2.48 Å) and one longer (2.58 Å) V–Ge bond lengths. Both V–Si bond lengths are 2.65 Å. In the third V site, V is bonded in a 5-coordinate geometry to two equivalent Ge and three equivalent Si atoms. Both V–Ge bond lengths are 2.67 Å. There are two shorter (2.46 Å) and one longer (2.62 Å) V–Si bond lengths. Ge is bonded in a 9-coordinate geometry to nine V atoms. Si is bonded in a 9-coordinate geometry to nine V atoms.
DOI: 10.17188/1663643
title: Materials Data on CaTi2O6 by Materials Project

description: CaTi2O6 is Hydrophilite-derived structured and crystallizes in the monoclinic P2_1/c space group. The structure is three-dimensional. Ca is bonded to six O atoms to form CaO6 octahedra that share corners with twelve TiO6 octahedra. The corner-sharing octahedra tilt angles range from 46–55°. There are a spread of Ca–O bond distances ranging from 2.34–2.41 Å. There are two inequivalent Ti sites. In the first Ti site, Ti is bonded to six O atoms to form TiO6 octahedra that share corners with six equivalent CaO6 octahedra and edges with three equivalent TiO6 octahedra. The corner-sharing octahedra tilt angles range from 49–54°. There are a spread of Ti–O bond distances ranging from 1.90–2.08 Å. In the second Ti site, Ti is bonded to six O atoms to form TiO6 octahedra that share corners with six equivalent CaO6 octahedra and edges with three equivalent TiO6 octahedra. The corner-sharing octahedra tilt angles range from 46–55°. There are a spread of Ti–O bond distances ranging from 1.91–2.07 Å. There are six inequivalent O sites. In the first O site, O is bonded in a distorted trigonal planar geometry to one Ca and two equivalent Ti atoms. In the second O site, O is bonded in a distorted trigonal planar geometry to one Ca and two equivalent Ti atoms. In the third O site, O is bonded in a trigonal planar geometry to one Ca and two equivalent Ti atoms. In the fourth O site, O is bonded in a distorted trigonal planar geometry to one Ca and two equivalent Ti atoms. In the fifth O site, O is bonded in a distorted trigonal planar geometry to one Ca and two equivalent Ti atoms. In the sixth O site, O is bonded in a trigonal planar geometry to one Ca and two equivalent Ti atoms.
DOI: 10.17188/1663645
title: Materials Data on Tm5(Ge5Os2)2 by Materials Project

description: Tm5(Os2Ge5)2 crystallizes in the tetragonal P4/mbm space group. The structure is three-dimensional. there are three inequivalent Tm sites. In the first Tm site, Tm is bonded in a 8-coordinate geometry to four equivalent Os and twelve Ge atoms. All Tm–Os bond lengths are 3.26 Å. There are eight shorter (2.94 Å) and four longer (3.37 Å) Tm–Ge bond lengths. In the second Tm site, Tm is bonded to four equivalent Os and eight Ge atoms to form distorted face-sharing TmGe8Os4 cuboctahedra. All Tm–Os bond lengths are 3.10 Å. There are a spread of Tm–Ge bond distances ranging from 2.87–3.12 Å. In the third Tm site, Tm is bonded in a 12-coordinate geometry to four equivalent Os and ten Ge atoms. All Tm–Os bond lengths are 3.27 Å. There are a spread of Tm–Ge bond distances ranging from 3.27–3.41 Å. Os is bonded in a 10-coordinate geometry to five Tm and five Ge atoms. There are a spread of Os–Ge bond distances ranging from 2.45–2.61 Å. There are three inequivalent Ge sites. In the first Ge site, Ge is bonded in a 9-coordinate geometry to six Tm, two equivalent Os, and one Ge atom. The Ge–Ge bond length is 2.48 Å. In the second Ge site, Ge is bonded in a 2-coordinate geometry to five Tm, two equivalent Os, and one Ge atom. The Ge–Ge bond length is 2.55 Å. In the third Ge site, Ge is bonded in a 2-coordinate geometry to four Tm, two equivalent Os, and two equivalent Ge atoms. Both Ge–Ge bond lengths are 2.88 Å.
DOI: 10.17188/1663646
title: Materials Data on MnAgO3 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: 10.17188/1663648
title: Materials Data on TlB5O12 by Materials Project

description: (TlB5O11)2O2 crystallizes in the monoclinic P2_1/c space group. The structure is one-dimensional and consists of four water molecules and two TlB5O11 ribbons oriented in the (1, 0, 0) direction. In each TlB5O11 ribbon, Tl is bonded in a distorted rectangular see-saw-like geometry to four O atoms. There are a spread of Tl–O bond distances ranging from 2.09–2.41 Å. There are five inequivalent B sites. In the first B site, B is bonded in a tetrahedral geometry to four O atoms. There are a spread of B–O bond distances ranging from 1.47–1.49 Å. In the second B site, B is bonded in a trigonal planar geometry to three O atoms. There are a spread of B–O bond distances ranging from 1.36–1.43 Å. In the third B site, B is bonded in a trigonal planar geometry to three O atoms. There are a spread of B–O bond distances ranging from 1.37–1.40 Å. In the fourth B site, B is bonded in a trigonal planar geometry to three O atoms. There are a spread of B–O bond distances ranging from 1.34–1.41 Å. In the fifth B site, B is bonded in a trigonal planar geometry to three O atoms. There is one shorter (1.35 Å) and two longer (1.40 Å) B–O bond length. There are eleven inequivalent O sites. In the first O site, O is bonded in a bent 120 degrees geometry to two B atoms. In the second O site, O is bonded in a bent 120 degrees geometry to two B atoms. In the third O site, O is bonded in a single-bond geometry to one Tl atom. In the fourth O site, O is bonded in a bent 120 degrees geometry to two B atoms. In the fifth O site, O is bonded in a bent 120 degrees geometry to two B atoms. In the sixth O site, O is bonded in a single-bond geometry to one B atom. In the seventh O site, O is bonded in a water-like geometry to one Tl and one B atom. In the eighth O site, O is bonded in a distorted water-like geometry to one Tl and one B atom. In the ninth O site, O is bonded in a bent 120 degrees geometry to two B atoms. In the tenth O site, O is bonded in a water-like geometry to one Tl and one B atom. In the eleventh O site, O is bonded in a bent 120 degrees geometry to two B atoms.
DOI: 10.17188/1663649
title: Materials Data on La2ZnFeO6 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: 10.17188/1663650
title: Materials Data on NaTi2BiO6 by Materials Project

description: NaTi2BiO6 crystallizes in the orthorhombic Cmm2 space group. The structure is three-dimensional. Na1+ is bonded in a 8-coordinate geometry to eight O2- atoms. There are a spread of Na–O bond distances ranging from 2.46–2.79 Å. Ti4+ is bonded in a 6-coordinate geometry to six O2- atoms. There are a spread of Ti–O bond distances ranging from 1.77–2.46 Å. Bi3+ is bonded in a 8-coordinate geometry to eight O2- atoms. There are a spread of Bi–O bond distances ranging from 2.27–2.83 Å. There are three inequivalent O2- sites. In the first O2- site, O2- is bonded in a distorted single-bond geometry to two equivalent Na1+, two equivalent Ti4+, and two equivalent Bi3+ atoms. In the second O2- site, O2- is bonded in a 4-coordinate geometry to one Na1+, two equivalent Ti4+, and one Bi3+ atom. In the third O2- site, O2- is bonded in a 4-coordinate geometry to one Na1+, two equivalent Ti4+, and one Bi3+ atom.
DOI: 10.17188/1663651
title: Materials Data on Hf2Ga3Cu by Materials Project

description: Hf2CuGa3 crystallizes in the monoclinic Cm space group. The structure is three-dimensional. there are two inequivalent Hf sites. In the first Hf site, Hf is bonded in a 12-coordinate geometry to three equivalent Cu and nine Ga atoms. There are two shorter (3.02 Å) and one longer (3.08 Å) Hf–Cu bond lengths. There are a spread of Hf–Ga bond distances ranging from 2.85–3.20 Å. In the second Hf site, Hf is bonded in a 10-coordinate geometry to three equivalent Cu and nine Ga atoms. There are two shorter (2.90 Å) and one longer (2.95 Å) Hf–Cu bond lengths. There are a spread of Hf–Ga bond distances ranging from 2.87–3.28 Å. Cu is bonded in a 10-coordinate geometry to six Hf and four Ga atoms. There are a spread of Cu–Ga bond distances ranging from 2.40–2.61 Å. There are three inequivalent Ga sites. In the first Ga site, Ga is bonded in a 10-coordinate geometry to six Hf, one Cu, and three Ga atoms. There are two shorter (2.52 Å) and one longer (2.78 Å) Ga–Ga bond lengths. In the second Ga site, Ga is bonded in a 10-coordinate geometry to six Hf, two equivalent Cu, and two Ga atoms. The Ga–Ga bond length is 2.56 Å. In the third Ga site, Ga is bonded in a 10-coordinate geometry to six Hf, one Cu, and three Ga atoms.
DOI: 10.17188/1663653
title: Materials Data on TbHoRh2 by Materials Project

description: HoTbRh2 is Heusler structured and crystallizes in the cubic Fm-3m space group. The structure is three-dimensional. Ho is bonded in a body-centered cubic geometry to eight equivalent Rh atoms. All Ho–Rh bond lengths are 2.97 Å. Tb is bonded in a body-centered cubic geometry to eight equivalent Rh atoms. All Tb–Rh bond lengths are 2.97 Å. Rh is bonded in a body-centered cubic geometry to four equivalent Ho and four equivalent Tb atoms.