cometadata/datacite-titles-descriptions-related-identifiers huggingface dataset:
DOI: 10.17188/1272943
title: Materials Data on Li2CuP2O7 by Materials Project

description: Li2CuP2O7 crystallizes in the monoclinic C2/c space group. The structure is three-dimensional. Li1+ is bonded to four O2- atoms to form distorted LiO4 tetrahedra that share corners with four equivalent PO4 tetrahedra and an edgeedge with one LiO4 tetrahedra. There are a spread of Li–O bond distances ranging from 1.93–1.98 Å. Cu2+ is bonded in a square co-planar geometry to four O2- atoms. All Cu–O bond lengths are 1.96 Å. P5+ is bonded to four O2- atoms to form PO4 tetrahedra that share a cornercorner with one PO4 tetrahedra and corners with four equivalent LiO4 tetrahedra. There are a spread of P–O bond distances ranging from 1.51–1.64 Å. There are four inequivalent O2- sites. In the first O2- site, O2- is bonded in a 3-coordinate geometry to one Li1+, one Cu2+, and one P5+ atom. In the second O2- site, O2- is bonded in a 3-coordinate geometry to one Li1+, one Cu2+, and one P5+ atom. In the third O2- site, O2- is bonded in a 3-coordinate geometry to two equivalent Li1+ and one P5+ atom. In the fourth O2- site, O2- is bonded in a bent 120 degrees geometry to two equivalent P5+ atoms.
DOI: 10.17188/1272944
title: Materials Data on MnGaNi2 by Materials Project

description: Ni2MnGa is alpha iridium vanadium-derived structured and crystallizes in the monoclinic C2/m space group. The structure is three-dimensional. there are three inequivalent Mn sites. In the first Mn site, Mn is bonded in a 8-coordinate geometry to eight Ni and three equivalent Ga atoms. There are four shorter (2.48 Å) and four longer (2.51 Å) Mn–Ni bond lengths. There are one shorter (2.70 Å) and two longer (2.76 Å) Mn–Ga bond lengths. In the second Mn site, Mn is bonded in a distorted body-centered cubic geometry to eight Ni and three Ga atoms. There are a spread of Mn–Ni bond distances ranging from 2.48–2.51 Å. There are a spread of Mn–Ga bond distances ranging from 2.78–2.95 Å. In the third Mn site, Mn is bonded in a distorted body-centered cubic geometry to eight Ni and two equivalent Ga atoms. All Mn–Ni bond lengths are 2.49 Å. Both Mn–Ga bond lengths are 2.76 Å. There are three inequivalent Ni sites. In the first Ni site, Ni is bonded in a distorted body-centered cubic geometry to four Mn and four Ga atoms. There are two shorter (2.48 Å) and two longer (2.51 Å) Ni–Ga bond lengths. In the second Ni site, Ni is bonded in a distorted body-centered cubic geometry to four Mn and four Ga atoms. There are a spread of Ni–Ga bond distances ranging from 2.48–2.51 Å. In the third Ni site, Ni is bonded in a distorted body-centered cubic geometry to four Mn and four Ga atoms. All Ni–Ga bond lengths are 2.49 Å. There are three inequivalent Ga sites. In the first Ga site, Ga is bonded in a 8-coordinate geometry to five Mn and eight Ni atoms. In the second Ga site, Ga is bonded in a 8-coordinate geometry to eight Ni atoms. In the third Ga site, Ga is bonded to four Mn and eight Ni atoms to form a mixture of distorted corner and edge-sharing GaMn4Ni8 cuboctahedra.
DOI: 10.17188/1272945
title: Materials Data on LiCrFeO4 (SG:95) 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: 10.17188/1272946
title: Materials Data on Y3TlC by Materials Project

description: Y3TlC is (Cubic) Perovskite structured and crystallizes in the cubic Pm-3m space group. The structure is three-dimensional. Y is bonded in a linear geometry to four equivalent Tl and two equivalent C atoms. All Y–Tl bond lengths are 3.49 Å. Both Y–C bond lengths are 2.47 Å. Tl is bonded to twelve equivalent Y atoms to form TlY12 cuboctahedra that share corners with twelve equivalent TlY12 cuboctahedra, faces with six equivalent TlY12 cuboctahedra, and faces with eight equivalent CY6 octahedra. C is bonded to six equivalent Y atoms to form CY6 octahedra that share corners with six equivalent CY6 octahedra and faces with eight equivalent TlY12 cuboctahedra. The corner-sharing octahedral tilt angles are 0°.
DOI: 10.17188/1272947
title: Materials Data on CeCr2Si2C by Materials Project

description: CeCr2Si2C crystallizes in the tetragonal P4/mmm space group. The structure is three-dimensional. Ce3+ is bonded in a distorted linear geometry to eight equivalent Si4- and two equivalent C4- atoms. All Ce–Si bond lengths are 3.06 Å. Both Ce–C bond lengths are 2.63 Å. Cr+4.50+ is bonded in a distorted linear geometry to four equivalent Si4- and two equivalent C4- atoms. All Cr–Si bond lengths are 2.45 Å. Both Cr–C bond lengths are 1.99 Å. Si4- is bonded in a 9-coordinate geometry to four equivalent Ce3+, four equivalent Cr+4.50+, and one Si4- atom. The Si–Si bond length is 2.41 Å. C4- is bonded to two equivalent Ce3+ and four equivalent Cr+4.50+ atoms to form corner-sharing CCe2Cr4 octahedra. The corner-sharing octahedral tilt angles are 0°.
DOI: 10.17188/1272948
title: Materials Data on Zn2PtRh by Materials Project

description: RhPtZn2 is Heusler structured and crystallizes in the cubic Fm-3m space group. The structure is three-dimensional. Rh is bonded in a body-centered cubic geometry to eight equivalent Zn atoms. All Rh–Zn bond lengths are 2.64 Å. Pt is bonded in a body-centered cubic geometry to eight equivalent Zn atoms. All Pt–Zn bond lengths are 2.64 Å. Zn is bonded in a body-centered cubic geometry to four equivalent Rh and four equivalent Pt atoms.
DOI: 10.17188/1272949
title: Materials Data on BaAgP by Materials Project

description: BaAgP is hexagonal omega structure-derived structured and crystallizes in the hexagonal P6_3/mmc space group. The structure is three-dimensional. Ba2+ is bonded to six equivalent Ag1+ and six equivalent P3- atoms to form a mixture of edge and face-sharing BaAg6P6 cuboctahedra. All Ba–Ag bond lengths are 3.46 Å. All Ba–P bond lengths are 3.46 Å. Ag1+ is bonded in a distorted trigonal planar geometry to six equivalent Ba2+ and three equivalent P3- atoms. All Ag–P bond lengths are 2.62 Å. P3- is bonded in a 3-coordinate geometry to six equivalent Ba2+ and three equivalent Ag1+ atoms.
DOI: 10.17188/1272950
title: Materials Data on YbHgPb by Materials Project

description: YbHgPb is hexagonal omega structure-derived structured and crystallizes in the hexagonal P6_3/mmc space group. The structure is three-dimensional. Yb is bonded to six equivalent Hg and six equivalent Pb atoms to form a mixture of face and edge-sharing YbHg6Pb6 cuboctahedra. All Yb–Hg bond lengths are 3.49 Å. All Yb–Pb bond lengths are 3.49 Å. Hg is bonded in a 9-coordinate geometry to six equivalent Yb and three equivalent Pb atoms. All Hg–Pb bond lengths are 2.96 Å. Pb is bonded in a 9-coordinate geometry to six equivalent Yb and three equivalent Hg atoms.
DOI: 10.17188/1272951
title: Materials Data on Dy5Sn11 by Materials Project

description: Dy5Sn11 is Zirconium Disilicide-like structured and crystallizes in the orthorhombic Immm space group. The structure is three-dimensional. there are three inequivalent Dy sites. In the first Dy site, Dy is bonded in a 10-coordinate geometry to ten Sn atoms. There are a spread of Dy–Sn bond distances ranging from 3.18–3.44 Å. In the second Dy site, Dy is bonded in a 10-coordinate geometry to ten Sn atoms. There are a spread of Dy–Sn bond distances ranging from 3.19–3.50 Å. In the third Dy site, Dy is bonded to twelve Sn atoms to form a mixture of face and corner-sharing DySn12 cuboctahedra. There are a spread of Dy–Sn bond distances ranging from 3.13–3.39 Å. There are six inequivalent Sn sites. In the first Sn site, Sn is bonded in a 10-coordinate geometry to four Dy and six Sn atoms. There are four shorter (3.13 Å) and two longer (3.41 Å) Sn–Sn bond lengths. In the second Sn site, Sn is bonded in a 4-coordinate geometry to six Dy and two equivalent Sn atoms. Both Sn–Sn bond lengths are 3.02 Å. In the third Sn site, Sn is bonded in a 8-coordinate geometry to four equivalent Dy and four equivalent Sn atoms. All Sn–Sn bond lengths are 3.13 Å. In the fourth Sn site, Sn is bonded in a 4-coordinate geometry to six Dy and two equivalent Sn atoms. In the fifth Sn site, Sn is bonded in a 10-coordinate geometry to four Dy and six Sn atoms. Both Sn–Sn bond lengths are 3.36 Å. In the sixth Sn site, Sn is bonded in a square co-planar geometry to four equivalent Dy and eight Sn atoms.
DOI: 10.15468/vqzpnr
title: Revision of the Palaearctic and Oriental representatives of Lachnocrepis LeConte and Oodes Bonelli (Coleoptera: Carabidae), with special account on Chinese species

description: This dataset contains the digitized treatments in Plazi based on the original journal article Guéorguiev, Borislav, Liang, Hongbin (2020): Revision of the Palaearctic and Oriental representatives of Lachnocrepis LeConte and Oodes Bonelli (Coleoptera: Carabidae), with special account on Chinese species. Zootaxa 4850 (1): 1-89, DOI: https://doi.org/10.11646/zootaxa.4850.1.1
DOI: 10.17188/1272952
title: Materials Data on Na2Li(H2N)3 by Materials Project

description: LiNa2(NH2)3 crystallizes in the tetragonal P4_2/m space group. The structure is three-dimensional. there are three inequivalent Na1+ sites. In the first Na1+ site, Na1+ is bonded in a 8-coordinate geometry to four N3- and four H1+ atoms. There are two shorter (2.51 Å) and two longer (2.55 Å) Na–N bond lengths. There are two shorter (2.54 Å) and two longer (2.62 Å) Na–H bond lengths. In the second Na1+ site, Na1+ is bonded in a distorted trigonal pyramidal geometry to four equivalent N3- atoms. All Na–N bond lengths are 2.56 Å. In the third Na1+ site, Na1+ is bonded in a 4-coordinate geometry to six N3- and eight H1+ atoms. There are two shorter (2.79 Å) and four longer (2.82 Å) Na–N bond lengths. There are four shorter (2.62 Å) and four longer (2.73 Å) Na–H bond lengths. Li1+ is bonded in a distorted trigonal non-coplanar geometry to three N3- atoms. There are one shorter (2.00 Å) and two longer (2.06 Å) Li–N bond lengths. There are two inequivalent N3- sites. In the first N3- site, N3- is bonded in a distorted water-like geometry to three Na1+, one Li1+, and two H1+ atoms. Both N–H bond lengths are 1.03 Å. In the second N3- site, N3- is bonded in a 2-coordinate geometry to three Na1+, one Li1+, and two equivalent H1+ atoms. Both N–H bond lengths are 1.03 Å. There are three inequivalent H1+ sites. In the first H1+ site, H1+ is bonded in a single-bond geometry to one Na1+ and one N3- atom. In the second H1+ site, H1+ is bonded in a single-bond geometry to one Na1+ and one N3- atom. In the third H1+ site, H1+ is bonded in a single-bond geometry to two Na1+ and one N3- atom.
DOI: 10.17188/1272954
title: Materials Data on Ba4Tb(RuO4)3 by Materials Project

description: Ba4Tb(RuO4)3 is (Cubic) Perovskite-derived structured and crystallizes in the trigonal R-3m space group. The structure is three-dimensional. there are two inequivalent Ba2+ sites. In the first Ba2+ site, Ba2+ is bonded to twelve O2- atoms to form BaO12 cuboctahedra that share corners with nine BaO12 cuboctahedra, corners with three equivalent RuO6 octahedra, faces with seven BaO12 cuboctahedra, faces with three equivalent TbO6 octahedra, and faces with four equivalent RuO6 octahedra. The corner-sharing octahedral tilt angles are 13°. There are a spread of Ba–O bond distances ranging from 2.91–3.17 Å. In the second Ba2+ site, Ba2+ is bonded to twelve O2- atoms to form BaO12 cuboctahedra that share corners with nine BaO12 cuboctahedra, corners with three equivalent RuO6 octahedra, faces with seven BaO12 cuboctahedra, a faceface with one TbO6 octahedra, and faces with six RuO6 octahedra. The corner-sharing octahedral tilt angles are 13°. There are a spread of Ba–O bond distances ranging from 2.98–3.11 Å. Tb3+ is bonded to six equivalent O2- atoms to form TbO6 octahedra that share corners with six equivalent RuO6 octahedra and faces with eight BaO12 cuboctahedra. The corner-sharing octahedral tilt angles are 2°. All Tb–O bond lengths are 2.23 Å. There are two inequivalent Ru+4.33+ sites. In the first Ru+4.33+ site, Ru+4.33+ is bonded to six O2- atoms to form RuO6 octahedra that share corners with three equivalent BaO12 cuboctahedra, corners with three equivalent TbO6 octahedra, faces with seven BaO12 cuboctahedra, and a faceface with one RuO6 octahedra. The corner-sharing octahedral tilt angles are 2°. There are three shorter (1.95 Å) and three longer (2.06 Å) Ru–O bond lengths. In the second Ru+4.33+ site, Ru+4.33+ is bonded to six equivalent O2- atoms to form RuO6 octahedra that share corners with six equivalent BaO12 cuboctahedra, faces with six equivalent BaO12 cuboctahedra, and faces with two equivalent RuO6 octahedra. All Ru–O bond lengths are 2.03 Å. There are two inequivalent O2- sites. In the first O2- site, O2- is bonded in a distorted linear geometry to four Ba2+, one Tb3+, and one Ru+4.33+ atom. In the second O2- site, O2- is bonded in a 6-coordinate geometry to four Ba2+ and two Ru+4.33+ atoms.
DOI: 10.17188/1272955
title: Materials Data on LaFe5H7 by Materials Project

description: LaFe5H7 crystallizes in the hexagonal P6_3mc space group. The structure is three-dimensional. La is bonded to twelve H atoms to form LaH12 cuboctahedra that share corners with six equivalent LaH12 cuboctahedra, corners with six equivalent FeH4 trigonal pyramids, edges with three equivalent FeH4 tetrahedra, edges with six equivalent FeH4 trigonal pyramids, and faces with two equivalent LaH12 cuboctahedra. There are a spread of La–H bond distances ranging from 2.48–2.84 Å. There are three inequivalent Fe sites. In the first Fe site, Fe is bonded to four H atoms to form FeH4 trigonal pyramids that share corners with two equivalent LaH12 cuboctahedra, corners with two equivalent FeH4 tetrahedra, corners with four equivalent FeH4 trigonal pyramids, and edges with two equivalent LaH12 cuboctahedra. There is two shorter (1.73 Å) and two longer (1.74 Å) Fe–H bond length. In the second Fe site, Fe is bonded in a 3-coordinate geometry to four H atoms. There is three shorter (1.71 Å) and one longer (2.12 Å) Fe–H bond length. In the third Fe site, Fe is bonded to four H atoms to form FeH4 tetrahedra that share corners with six equivalent FeH4 trigonal pyramids and edges with three equivalent LaH12 cuboctahedra. There is three shorter (1.71 Å) and one longer (1.83 Å) Fe–H bond length. There are three inequivalent H sites. In the first H site, H is bonded to two equivalent La and two equivalent Fe atoms to form distorted HLa2Fe2 tetrahedra that share corners with eight equivalent HLa2Fe2 tetrahedra, corners with two equivalent HFe5 trigonal bipyramids, and edges with two equivalent HLa2Fe2 tetrahedra. In the second H site, H is bonded to five Fe atoms to form corner-sharing HFe5 trigonal bipyramids. In the third H site, H is bonded in a 3-coordinate geometry to two equivalent La and three Fe atoms.
DOI: 10.17188/1272956
title: Materials Data on H2 by Materials Project

description: H2 is gamma nitrogen structured and crystallizes in the orthorhombic Cmce space group. The structure is zero-dimensional and consists of four hydrogen molecules. H is bonded in a single-bond geometry to one H atom. The H–H bond length is 0.75 Å.
DOI: 10.17188/1272957
title: Materials Data on LaFe5H12 by Materials Project

description: LaFe5H12 crystallizes in the hexagonal P6/mmm space group. The structure is three-dimensional. La2+ is bonded to twelve equivalent H1- atoms to form LaH12 cuboctahedra that share edges with six equivalent FeH6 pentagonal pyramids. All La–H bond lengths are 2.40 Å. There are two inequivalent Fe2+ sites. In the first Fe2+ site, Fe2+ is bonded in a body-centered cubic geometry to eight equivalent H1- atoms. All Fe–H bond lengths are 1.80 Å. In the second Fe2+ site, Fe2+ is bonded to six equivalent H1- atoms to form distorted FeH6 pentagonal pyramids that share edges with three equivalent LaH12 cuboctahedra. All Fe–H bond lengths are 1.64 Å. H1- is bonded to one La2+ and three Fe2+ atoms to form a mixture of distorted edge and corner-sharing HLaFe3 tetrahedra.
DOI: 10.17188/1272958
title: Materials Data on YMgZn by Materials Project

description: ZnMgY crystallizes in the hexagonal P-62m space group. The structure is three-dimensional. Mg is bonded in a 4-coordinate geometry to four Zn atoms. There are two shorter (2.80 Å) and two longer (2.89 Å) Mg–Zn bond lengths. Y is bonded in a 5-coordinate geometry to five Zn atoms. All Y–Zn bond lengths are 3.10 Å. There are two inequivalent Zn sites. In the first Zn site, Zn is bonded in a 9-coordinate geometry to three equivalent Mg and six equivalent Y atoms. In the second Zn site, Zn is bonded in a 9-coordinate geometry to six equivalent Mg and three equivalent Y atoms.
DOI: 10.17188/1272959
title: Materials Data on BiH24C6(I2N)3 by Materials Project

description: ((CH3)2NH2)3BiI6 is Silicon tetrafluoride-derived structured and crystallizes in the trigonal R-3 space group. The structure is zero-dimensional and consists of thirty-six dimethylazanium molecules and twelve BiI6 clusters. In each BiI6 cluster, Bi3+ is bonded in an octahedral geometry to six I1- atoms. There are a spread of Bi–I bond distances ranging from 3.11–3.16 Å. There are three inequivalent I1- sites. In the first I1- site, I1- is bonded in a single-bond geometry to one Bi3+ atom. In the second I1- site, I1- is bonded in a single-bond geometry to one Bi3+ atom. In the third I1- site, I1- is bonded in a single-bond geometry to one Bi3+ atom.
DOI: 10.17188/1272960
title: Materials Data on LiIn3 by Materials Project

description: LiIn3 is Uranium Silicide-like structured and crystallizes in the tetragonal I4/mmm space group. The structure is three-dimensional. Li is bonded to twelve In atoms to form LiIn12 cuboctahedra that share corners with four equivalent LiIn12 cuboctahedra, edges with eight equivalent LiIn12 cuboctahedra, edges with sixteen equivalent InLi4In8 cuboctahedra, faces with four equivalent LiIn12 cuboctahedra, and faces with eight equivalent InLi4In8 cuboctahedra. There are four shorter (3.17 Å) and eight longer (3.26 Å) Li–In bond lengths. There are two inequivalent In sites. In the first In site, In is bonded to four equivalent Li and eight In atoms to form distorted InLi4In8 cuboctahedra that share corners with twelve equivalent InLi4In8 cuboctahedra, edges with eight equivalent LiIn12 cuboctahedra, edges with eight equivalent InLi4In8 cuboctahedra, faces with four equivalent LiIn12 cuboctahedra, and faces with ten equivalent InLi4In8 cuboctahedra. There are four shorter (3.17 Å) and four longer (3.26 Å) In–In bond lengths. In the second In site, In is bonded in a distorted square co-planar geometry to four equivalent Li and eight equivalent In atoms.
DOI: 10.17188/1272961
title: Materials Data on CrSe by Materials Project

description: CrSe is Vulcanite structured and crystallizes in the tetragonal P4/nmm space group. The structure is two-dimensional and consists of one CrSe sheet oriented in the (0, 0, 1) direction. Cr2+ is bonded in a 4-coordinate geometry to four equivalent Se2- atoms. All Cr–Se bond lengths are 2.44 Å. Se2- is bonded in a 4-coordinate geometry to four equivalent Cr2+ atoms.
DOI: 10.17188/1272962
title: Materials Data on Tl3Zn by Materials Project

description: ZnTl3 is alpha bismuth trifluoride structured and crystallizes in the cubic Fm-3m space group. The structure is three-dimensional. Zn is bonded in a body-centered cubic geometry to eight equivalent Tl atoms. All Zn–Tl bond lengths are 3.32 Å. There are two inequivalent Tl sites. In the first Tl site, Tl is bonded in a body-centered cubic geometry to eight equivalent Tl atoms. All Tl–Tl bond lengths are 3.32 Å. In the second Tl site, Tl is bonded in a body-centered cubic geometry to four equivalent Zn and four equivalent Tl atoms.
DOI: 10.17188/1272963
title: Materials Data on YN by Materials Project

description: YN crystallizes in the hexagonal P6_3/mmc space group. The structure is three-dimensional. Y3+ is bonded to five equivalent N3- atoms to form a mixture of edge and corner-sharing YN5 trigonal bipyramids. There are three shorter (2.33 Å) and two longer (2.46 Å) Y–N bond lengths. N3- is bonded to five equivalent Y3+ atoms to form a mixture of edge and corner-sharing NY5 trigonal bipyramids.
DOI: 10.17188/1272964
title: Materials Data on La2AlNi9H by Materials Project

description: La2Ni9AlH crystallizes in the monoclinic Pm space group. The structure is three-dimensional. La is bonded in a distorted single-bond geometry to twelve Ni and one H atom. There are a spread of La–Ni bond distances ranging from 2.83–3.16 Å. The La–H bond length is 2.35 Å. There are seven inequivalent Ni sites. In the first Ni site, Ni is bonded in a 12-coordinate geometry to three equivalent La, eight Ni, and one Al atom. There are a spread of Ni–Ni bond distances ranging from 2.46–2.92 Å. The Ni–Al bond length is 2.50 Å. In the second Ni site, Ni is bonded to four equivalent La and eight Ni atoms to form NiLa4Ni8 cuboctahedra that share corners with four equivalent NiLa4Ni8 cuboctahedra, corners with four equivalent HLa2AlNi trigonal pyramids, edges with two equivalent NiLa4Ni8 cuboctahedra, and faces with eight NiLa4Ni8 cuboctahedra. There are a spread of Ni–Ni bond distances ranging from 2.48–2.51 Å. In the third Ni site, Ni is bonded in a 12-coordinate geometry to three equivalent La, eight Ni, and one Al atom. There are a spread of Ni–Ni bond distances ranging from 2.45–2.52 Å. The Ni–Al bond length is 2.53 Å. In the fourth Ni site, Ni is bonded in a 2-coordinate geometry to four Ni and two equivalent Al atoms. There are one shorter (2.49 Å) and one longer (2.52 Å) Ni–Al bond lengths. In the fifth Ni site, Ni is bonded to four equivalent La and eight Ni atoms to form NiLa4Ni8 cuboctahedra that share corners with four equivalent NiLa4Ni8 cuboctahedra, corners with four equivalent HLa2AlNi trigonal pyramids, edges with two equivalent NiLa4Ni8 cuboctahedra, and faces with eight NiLa4Ni8 cuboctahedra. There are one shorter (2.51 Å) and one longer (2.53 Å) Ni–Ni bond lengths. In the sixth Ni site, Ni is bonded to four equivalent La and eight Ni atoms to form NiLa4Ni8 cuboctahedra that share corners with four equivalent NiLa4Ni8 cuboctahedra, corners with four equivalent HLa2AlNi trigonal pyramids, edges with two equivalent NiLa4Ni8 cuboctahedra, and faces with eight NiLa4Ni8 cuboctahedra. In the seventh Ni site, Ni is bonded in a distorted single-bond geometry to four Ni and one H atom. The Ni–H bond length is 1.62 Å. Al is bonded in a distorted single-bond geometry to six Ni and one H atom. The Al–H bond length is 1.90 Å. H is bonded to two equivalent La, one Ni, and one Al atom to form distorted HLa2AlNi trigonal pyramids that share corners with twelve NiLa4Ni8 cuboctahedra.
DOI: 10.17188/1272965
title: Materials Data on Dy2OsPd by Materials Project

description: Dy2OsPd 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 four equivalent Os and four equivalent Pd atoms. All Dy–Os bond lengths are 2.99 Å. All Dy–Pd bond lengths are 2.99 Å. Os is bonded in a body-centered cubic geometry to eight equivalent Dy atoms. Pd is bonded in a body-centered cubic geometry to eight equivalent Dy atoms.
DOI: 10.17188/1272966
title: Materials Data on AcTlHg2 by Materials Project

description: AcHg2Tl 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 eight equivalent Hg atoms. All Ac–Hg bond lengths are 3.36 Å. Hg is bonded in a body-centered cubic geometry to four equivalent Ac and four equivalent Tl atoms. All Hg–Tl bond lengths are 3.36 Å. Tl is bonded in a distorted body-centered cubic geometry to eight equivalent Hg atoms.