cometadata/datacite-titles-descriptions-related-identifiers huggingface dataset:
DOI: 10.17188/1310921
title: Materials Data on ThSnPd2 by Materials Project

description: ThPd2Sn is Heusler structured and crystallizes in the cubic Fm-3m space group. The structure is three-dimensional. Th is bonded in a body-centered cubic geometry to eight equivalent Pd and six equivalent Sn atoms. All Th–Pd bond lengths are 3.03 Å. All Th–Sn bond lengths are 3.50 Å. Pd is bonded in a body-centered cubic geometry to four equivalent Th and four equivalent Sn atoms. All Pd–Sn bond lengths are 3.03 Å. Sn is bonded in a distorted body-centered cubic geometry to six equivalent Th and eight equivalent Pd atoms.
DOI: 10.17188/1310922
title: Materials Data on TiMn2V by Materials Project

description: TiVMn2 is Heusler structured and crystallizes in the cubic Fm-3m space group. The structure is three-dimensional. Ti is bonded in a distorted body-centered cubic geometry to six equivalent V and eight equivalent Mn atoms. All Ti–V bond lengths are 2.92 Å. All Ti–Mn bond lengths are 2.53 Å. V is bonded in a distorted body-centered cubic geometry to six equivalent Ti and eight equivalent Mn atoms. All V–Mn bond lengths are 2.53 Å. Mn is bonded in a body-centered cubic geometry to four equivalent Ti and four equivalent V atoms.
DOI: 10.17188/1310923
title: Materials Data on TiSnPd2 by Materials Project

description: Pd2TiSn 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 Pd atoms. All Ti–Pd bond lengths are 2.80 Å. Pd is bonded in a body-centered cubic geometry to four equivalent Ti and four equivalent Sn atoms. All Pd–Sn bond lengths are 2.80 Å. Sn is bonded in a distorted body-centered cubic geometry to eight equivalent Pd atoms.
DOI: 10.17188/1310924
title: Materials Data on TiSiOs2 by Materials Project

description: TiOs2Si is Heusler structured and crystallizes in the cubic Fm-3m space group. The structure is three-dimensional. Ti4+ is bonded in a body-centered cubic geometry to eight equivalent Os atoms. All Ti–Os bond lengths are 2.62 Å. Os is bonded in a body-centered cubic geometry to four equivalent Ti4+ and four equivalent Si4- atoms. All Os–Si bond lengths are 2.62 Å. Si4- is bonded in a distorted body-centered cubic geometry to eight equivalent Os atoms.
DOI: 10.17188/1310925
title: Materials Data on TiSiRu2 by Materials Project

description: Ru2TiSi 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 Ru atoms. All Ti–Ru bond lengths are 2.60 Å. Ru is bonded in a body-centered cubic geometry to four equivalent Ti and four equivalent Si atoms. All Ru–Si bond lengths are 2.60 Å. Si is bonded in a distorted body-centered cubic geometry to eight equivalent Ru atoms.
DOI: 10.17188/1310926
title: Materials Data on Eu3P by Materials Project

description: Eu3P crystallizes in the hexagonal P6_3/mmc space group. The structure is three-dimensional. Eu is bonded in a 4-coordinate geometry to four equivalent P atoms. There are two shorter (3.22 Å) and two longer (3.51 Å) Eu–P bond lengths. P is bonded to twelve equivalent Eu atoms to form a mixture of corner and face-sharing PEu12 cuboctahedra.
DOI: 10.17188/1310927
title: Materials Data on Y11In9Ni4 by Materials Project

description: Y11Ni4In9 crystallizes in the orthorhombic Cmmm space group. The structure is three-dimensional. there are five inequivalent Y sites. In the first Y site, Y is bonded in a 8-coordinate geometry to two equivalent Ni and six In atoms. Both Y–Ni bond lengths are 2.77 Å. There are a spread of Y–In bond distances ranging from 3.15–3.45 Å. In the second Y site, Y is bonded in a 10-coordinate geometry to four equivalent Ni and six In atoms. All Y–Ni bond lengths are 2.90 Å. There are two shorter (3.29 Å) and four longer (3.39 Å) Y–In bond lengths. In the third Y site, Y is bonded in a distorted body-centered cubic geometry to eight In atoms. There are four shorter (3.27 Å) and four longer (3.44 Å) Y–In bond lengths. In the fourth Y site, Y is bonded in a distorted body-centered cubic geometry to eight equivalent In atoms. All Y–In bond lengths are 3.21 Å. In the fifth Y site, Y is bonded in a 10-coordinate geometry to four equivalent Ni and six In atoms. All Y–Ni bond lengths are 2.91 Å. There are two shorter (3.27 Å) and four longer (3.38 Å) Y–In bond lengths. Ni is bonded in a 6-coordinate geometry to six Y and three In atoms. There are a spread of Ni–In bond distances ranging from 2.96–3.12 Å. There are three inequivalent In sites. In the first In site, In is bonded in a 10-coordinate geometry to eight Y, one Ni, and one In atom. The In–In bond length is 3.04 Å. In the second In site, In is bonded in a 10-coordinate geometry to eight Y, one Ni, and one In atom. The In–In bond length is 3.12 Å. In the third In site, In is bonded to eight Y and four equivalent Ni atoms to form face-sharing InY8Ni4 cuboctahedra.
DOI: 10.17188/1310928
title: Materials Data on HoGaRh2 by Materials Project

description: HoRh2Ga 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 2.79 Å. Rh is bonded in a body-centered cubic geometry to four equivalent Ho and four equivalent Ga atoms. All Rh–Ga bond lengths are 2.79 Å. Ga is bonded in a distorted body-centered cubic geometry to eight equivalent Rh atoms.
DOI: 10.17188/1310929
title: Materials Data on TiSnRh2 by Materials Project

description: Rh2TiSn 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 Rh atoms. All Ti–Rh bond lengths are 2.76 Å. Rh is bonded in a body-centered cubic geometry to four equivalent Ti and four equivalent Sn atoms. All Rh–Sn bond lengths are 2.76 Å. Sn is bonded in a distorted body-centered cubic geometry to eight equivalent Rh atoms.
DOI: 10.17188/1310930
title: Materials Data on LiSm2Ru by Materials Project

description: LiSm2Ru 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 Sm atoms. All Li–Sm bond lengths are 3.07 Å. Sm is bonded in a distorted body-centered cubic geometry to four equivalent Li and four equivalent Ru atoms. All Sm–Ru bond lengths are 3.07 Å. Ru is bonded in a body-centered cubic geometry to eight equivalent Sm atoms.
DOI: 10.17188/1310931
title: Materials Data on LiPrTl2 by Materials Project

description: LiPrTl2 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 3.26 Å. Pr is bonded in a body-centered cubic geometry to eight equivalent Tl atoms. All Pr–Tl bond lengths are 3.26 Å. Tl is bonded in a body-centered cubic geometry to four equivalent Li and four equivalent Pr atoms.
DOI: 10.17188/1310932
title: Materials Data on LiSnAu2 by Materials Project

description: LiAu2Sn 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 Au atoms. All Li–Au bond lengths are 2.91 Å. Au is bonded in a body-centered cubic geometry to four equivalent Li and four equivalent Sn atoms. All Au–Sn bond lengths are 2.91 Å. Sn is bonded in a body-centered cubic geometry to eight equivalent Au atoms.
DOI: 10.17188/1310933
title: Materials Data on Li2TlAu by Materials Project

description: Li2AuTl 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 four equivalent Au and four equivalent Tl atoms. All Li–Au bond lengths are 2.85 Å. All Li–Tl bond lengths are 2.85 Å. Au is bonded in a body-centered cubic geometry to eight equivalent Li atoms. Tl is bonded in a distorted body-centered cubic geometry to eight equivalent Li atoms.
DOI: 10.17188/1310934
title: Materials Data on Ti2MnNi by Materials Project

description: Ti2MnNi is Heusler structured and crystallizes in the cubic Fm-3m space group. The structure is three-dimensional. Ti is bonded in a distorted body-centered cubic geometry to four equivalent Mn and four equivalent Ni atoms. All Ti–Mn bond lengths are 2.58 Å. All Ti–Ni bond lengths are 2.58 Å. Mn is bonded in a 8-coordinate geometry to eight equivalent Ti and six equivalent Ni atoms. All Mn–Ni bond lengths are 2.98 Å. Ni is bonded in a distorted body-centered cubic geometry to eight equivalent Ti and six equivalent Mn atoms.
DOI: 10.17188/1310935
title: Materials Data on Li2TlBi by Materials Project

description: Li2TlBi 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 four equivalent Tl and four equivalent Bi atoms. All Li–Tl bond lengths are 3.11 Å. All Li–Bi bond lengths are 3.11 Å. Tl is bonded in a body-centered cubic geometry to eight equivalent Li atoms. Bi is bonded in a body-centered cubic geometry to eight equivalent Li atoms.
DOI: 10.17188/1310936
title: Materials Data on Li2HgAu by Materials Project

description: Li2AuHg 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 four equivalent Au and four equivalent Hg atoms. All Li–Au bond lengths are 2.80 Å. All Li–Hg bond lengths are 2.80 Å. Au is bonded in a body-centered cubic geometry to eight equivalent Li atoms. Hg is bonded in a body-centered cubic geometry to eight equivalent Li atoms.
DOI: 10.17188/1310937
title: Materials Data on Li2PrTl by Materials Project

description: Li2PrTl 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 four equivalent Pr and four equivalent Tl atoms. All Li–Pr bond lengths are 3.06 Å. All Li–Tl bond lengths are 3.06 Å. Pr is bonded in a distorted body-centered cubic geometry to eight equivalent Li and six equivalent Tl atoms. All Pr–Tl bond lengths are 3.53 Å. Tl is bonded in a body-centered cubic geometry to eight equivalent Li and six equivalent Pr atoms.
DOI: 10.17188/1310938
title: Materials Data on YbCl2 by Materials Project

description: YbCl2 is Rutile structured and crystallizes in the tetragonal P4_2/mnm space group. The structure is three-dimensional. Yb2+ is bonded to six equivalent Cl1- atoms to form a mixture of edge and corner-sharing YbCl6 octahedra. The corner-sharing octahedral tilt angles are 49°. All Yb–Cl bond lengths are 2.74 Å. Cl1- is bonded in a distorted trigonal planar geometry to three equivalent Yb2+ atoms.
DOI: 10.17188/1310939
title: Materials Data on Ti2ReIr by Materials Project

description: Ti2ReIr 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 Re and four equivalent Ir atoms. All Ti–Re bond lengths are 2.69 Å. All Ti–Ir bond lengths are 2.69 Å. Re is bonded in a distorted body-centered cubic geometry to eight equivalent Ti atoms. Ir is bonded in a body-centered cubic geometry to eight equivalent Ti atoms.
DOI: 10.17188/1310940
title: Materials Data on CsBa2Cr2F11 (SG:139) 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: 10.5281/zenodo.4482138
title: Pd metal reference

description: Pd metal reference
DOI: 10.17188/1310941
title: Materials Data on YReB4 by Materials Project

description: YReB4 crystallizes in the orthorhombic Pbam space group. The structure is three-dimensional. Y3+ is bonded in a 4-coordinate geometry to fourteen B+1.50- atoms. There are a spread of Y–B bond distances ranging from 2.67–2.81 Å. Re3+ is bonded in a 10-coordinate geometry to ten B+1.50- atoms. There are a spread of Re–B bond distances ranging from 2.32–2.39 Å. There are four inequivalent B+1.50- sites. In the first B+1.50- site, B+1.50- is bonded in a 9-coordinate geometry to four equivalent Y3+, two equivalent Re3+, and three B+1.50- atoms. There are a spread of B–B bond distances ranging from 1.76–1.86 Å. In the second B+1.50- site, B+1.50- is bonded in a 9-coordinate geometry to four equivalent Y3+, two equivalent Re3+, and three B+1.50- atoms. The B–B bond length is 1.83 Å. In the third B+1.50- site, B+1.50- is bonded in a 3-coordinate geometry to four equivalent Y3+, two equivalent Re3+, and three B+1.50- atoms. There is one shorter (1.75 Å) and one longer (1.79 Å) B–B bond length. In the fourth B+1.50- site, B+1.50- is bonded in a 9-coordinate geometry to two equivalent Y3+, four equivalent Re3+, and three B+1.50- atoms. The B–B bond length is 1.75 Å.
DOI: 10.5281/zenodo.4482137
title: Pd metal reference

description: Pd metal reference
DOI: 10.17188/1310942
title: Materials Data on Ti2ReNi by Materials Project

description: Ti2ReNi 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 Re and four equivalent Ni atoms. All Ti–Re bond lengths are 2.66 Å. All Ti–Ni bond lengths are 2.66 Å. Re is bonded in a body-centered cubic geometry to eight equivalent Ti atoms. Ni is bonded in a body-centered cubic geometry to eight equivalent Ti atoms.
DOI: 10.17188/1310943
title: Materials Data on CaAg2Sn by Materials Project

description: CaAg2Sn is Heusler structured and crystallizes in the cubic Fm-3m space group. The structure is three-dimensional. Ca is bonded in a distorted body-centered cubic geometry to eight equivalent Ag and six equivalent Sn atoms. All Ca–Ag bond lengths are 3.07 Å. All Ca–Sn bond lengths are 3.54 Å. Ag is bonded in a distorted body-centered cubic geometry to four equivalent Ca and four equivalent Sn atoms. All Ag–Sn bond lengths are 3.07 Å. Sn is bonded in a 8-coordinate geometry to six equivalent Ca and eight equivalent Ag atoms.
DOI: 10.17188/1310944
title: Materials Data on TiZnAu2 by Materials Project

description: TiAu2Zn 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 Au atoms. All Ti–Au bond lengths are 2.79 Å. Au is bonded in a body-centered cubic geometry to four equivalent Ti and four equivalent Zn atoms. All Au–Zn bond lengths are 2.79 Å. Zn is bonded in a body-centered cubic geometry to eight equivalent Au atoms.
DOI: 10.17188/1310945
title: Materials Data on Li2HgPd by Materials Project

description: Li2PdHg 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 four equivalent Pd and four equivalent Hg atoms. All Li–Pd bond lengths are 2.72 Å. All Li–Hg bond lengths are 2.72 Å. Pd is bonded in a body-centered cubic geometry to eight equivalent Li atoms. Hg is bonded in a body-centered cubic geometry to eight equivalent Li atoms.
DOI: 10.17188/1310946
title: Materials Data on LuCd2 by Materials Project

description: LuCd2 crystallizes in the trigonal P-3m1 space group. The structure is three-dimensional. Lu is bonded to two equivalent Lu and twelve equivalent Cd atoms to form a mixture of distorted corner, edge, and face-sharing LuLu2Cd12 cuboctahedra. Both Lu–Lu bond lengths are 3.37 Å. There are six shorter (3.29 Å) and six longer (3.34 Å) Lu–Cd bond lengths. Cd is bonded in a 11-coordinate geometry to six equivalent Lu and five equivalent Cd atoms. There are three shorter (2.86 Å) and two longer (3.37 Å) Cd–Cd bond lengths.
DOI: 10.5281/zenodo.4482139
title: PdO reference

description: PdO reference
DOI: 10.17188/1310947
title: Materials Data on CoTc3 by Materials Project

description: Tc3Co is Magnesium-derived structured and crystallizes in the hexagonal P6_3/mmc space group. The structure is three-dimensional. Tc+0.67- is bonded to eight equivalent Tc+0.67- and four equivalent Co2+ atoms to form TcCo4Tc8 cuboctahedra that share corners with four equivalent CoTc12 cuboctahedra, corners with fourteen equivalent TcCo4Tc8 cuboctahedra, edges with six equivalent CoTc12 cuboctahedra, edges with twelve equivalent TcCo4Tc8 cuboctahedra, faces with four equivalent CoTc12 cuboctahedra, and faces with sixteen equivalent TcCo4Tc8 cuboctahedra. There are a spread of Tc–Tc bond distances ranging from 2.66–2.70 Å. There are two shorter (2.65 Å) and two longer (2.69 Å) Tc–Co bond lengths. Co2+ is bonded to twelve equivalent Tc+0.67- atoms to form CoTc12 cuboctahedra that share corners with six equivalent CoTc12 cuboctahedra, corners with twelve equivalent TcCo4Tc8 cuboctahedra, edges with eighteen equivalent TcCo4Tc8 cuboctahedra, faces with eight equivalent CoTc12 cuboctahedra, and faces with twelve equivalent TcCo4Tc8 cuboctahedra.
DOI: 10.17188/1310948
title: Materials Data on Li5(Cu2P3)2 by Materials Project

description: Li5(Cu2P3)2 crystallizes in the orthorhombic Immm space group. The structure is three-dimensional. there are three inequivalent Li1+ sites. In the first Li1+ site, Li1+ is bonded to eight equivalent P+1.67- atoms to form LiP8 hexagonal bipyramids that share corners with sixteen equivalent CuP4 tetrahedra, edges with four equivalent LiP6 pentagonal pyramids, edges with four equivalent CuP4 tetrahedra, and faces with two equivalent LiP8 hexagonal bipyramids. All Li–P bond lengths are 2.89 Å. In the second Li1+ site, Li1+ is bonded in a distorted hexagonal planar geometry to six P+1.67- atoms. There are two shorter (2.60 Å) and four longer (2.75 Å) Li–P bond lengths. In the third Li1+ site, Li1+ is bonded to six P+1.67- atoms to form distorted LiP6 pentagonal pyramids that share corners with six equivalent CuP4 tetrahedra, edges with two equivalent LiP8 hexagonal bipyramids, edges with four equivalent LiP6 pentagonal pyramids, edges with four equivalent CuP4 tetrahedra, and a faceface with one LiP6 pentagonal pyramid. There are two shorter (2.57 Å) and four longer (2.67 Å) Li–P bond lengths. Cu+1.25+ is bonded to four P+1.67- atoms to form CuP4 tetrahedra that share corners with four equivalent LiP8 hexagonal bipyramids, corners with three equivalent LiP6 pentagonal pyramids, corners with three equivalent CuP4 tetrahedra, an edgeedge with one LiP8 hexagonal bipyramid, edges with two equivalent LiP6 pentagonal pyramids, and edges with two equivalent CuP4 tetrahedra. There are a spread of Cu–P bond distances ranging from 2.31–2.46 Å. There are two inequivalent P+1.67- sites. In the first P+1.67- site, P+1.67- is bonded in a 9-coordinate geometry to five Li1+, three equivalent Cu+1.25+, and one P+1.67- atom. The P–P bond length is 2.17 Å. In the second P+1.67- site, P+1.67- is bonded in a 9-coordinate geometry to six Li1+, two equivalent Cu+1.25+, and one P+1.67- atom. The P–P bond length is 2.17 Å.
DOI: 10.17188/1310949
title: Materials Data on Li2YbGe by Materials Project

description: Li2YbGe 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 four equivalent Yb and four equivalent Ge atoms. All Li–Yb bond lengths are 2.85 Å. All Li–Ge bond lengths are 2.85 Å. Yb is bonded in a 8-coordinate geometry to eight equivalent Li and six equivalent Ge atoms. All Yb–Ge bond lengths are 3.29 Å. Ge is bonded in a distorted body-centered cubic geometry to eight equivalent Li and six equivalent Yb atoms.
DOI: 10.17188/1310950
title: Materials Data on YbBiPd2 by Materials Project

description: YbPd2Bi is Heusler structured and crystallizes in the cubic Fm-3m space group. The structure is three-dimensional. Yb is bonded in a body-centered cubic geometry to eight equivalent Pd and six equivalent Bi atoms. All Yb–Pd bond lengths are 2.99 Å. All Yb–Bi bond lengths are 3.45 Å. Pd is bonded in a body-centered cubic geometry to four equivalent Yb and four equivalent Bi atoms. All Pd–Bi bond lengths are 2.99 Å. Bi is bonded in a 8-coordinate geometry to six equivalent Yb and eight equivalent Pd atoms.
DOI: 10.17188/1310951
title: Materials Data on Li2InSn by Materials Project

description: Li2InSn 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 four equivalent In and four equivalent Sn atoms. All Li–In bond lengths are 2.96 Å. All Li–Sn bond lengths are 2.96 Å. In is bonded in a body-centered cubic geometry to eight equivalent Li atoms. Sn is bonded in a body-centered cubic geometry to eight equivalent Li atoms.
DOI: 10.17188/1310952
title: Materials Data on LiPrHg2 by Materials Project

description: LiPrHg2 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 Hg atoms. All Li–Hg bond lengths are 3.18 Å. Pr is bonded in a body-centered cubic geometry to eight equivalent Hg atoms. All Pr–Hg bond lengths are 3.18 Å. Hg is bonded in a body-centered cubic geometry to four equivalent Li and four equivalent Pr atoms.
DOI: 10.17188/1310953
title: Materials Data on YbCdAg2 by Materials Project

description: YbAg2Cd is Heusler structured and crystallizes in the cubic Fm-3m space group. The structure is three-dimensional. Yb is bonded in a body-centered cubic geometry to eight equivalent Ag and six equivalent Cd atoms. All Yb–Ag bond lengths are 3.04 Å. All Yb–Cd bond lengths are 3.51 Å. Ag is bonded in a body-centered cubic geometry to four equivalent Yb and four equivalent Cd atoms. All Ag–Cd bond lengths are 3.04 Å. Cd is bonded in a distorted body-centered cubic geometry to six equivalent Yb and eight equivalent Ag atoms.
DOI: 10.17188/1310954
title: Materials Data on YbCdAu2 by Materials Project

description: YbAu2Cd is Heusler structured and crystallizes in the cubic Fm-3m space group. The structure is three-dimensional. Yb is bonded in a body-centered cubic geometry to eight equivalent Au atoms. All Yb–Au bond lengths are 3.03 Å. Au is bonded in a body-centered cubic geometry to four equivalent Yb and four equivalent Cd atoms. All Au–Cd bond lengths are 3.03 Å. Cd is bonded in a body-centered cubic geometry to eight equivalent Au atoms.
DOI: 10.17188/1310955
title: Materials Data on YbCdHg2 by Materials Project

description: YbHg2Cd is Heusler structured and crystallizes in the cubic Fm-3m space group. The structure is three-dimensional. Yb is bonded in a body-centered cubic geometry to eight equivalent Hg atoms. All Yb–Hg bond lengths are 3.15 Å. Hg is bonded in a body-centered cubic geometry to four equivalent Yb and four equivalent Cd atoms. All Hg–Cd bond lengths are 3.15 Å. Cd is bonded in a distorted body-centered cubic geometry to eight equivalent Hg atoms.
DOI: 10.17188/1310956
title: Materials Data on Ga2IrRh by Materials Project

description: IrRhGa2 is Heusler structured and crystallizes in the cubic Fm-3m space group. The structure is three-dimensional. Ir is bonded in a body-centered cubic geometry to eight equivalent Ga atoms. All Ir–Ga bond lengths are 2.64 Å. Rh is bonded in a body-centered cubic geometry to eight equivalent Ga atoms. All Rh–Ga bond lengths are 2.64 Å. Ga is bonded in a body-centered cubic geometry to four equivalent Ir and four equivalent Rh atoms.
DOI: 10.17188/1310957
title: Materials Data on YbCdPd2 by Materials Project

description: YbPd2Cd is Heusler structured and crystallizes in the cubic Fm-3m space group. The structure is three-dimensional. Yb is bonded in a body-centered cubic geometry to eight equivalent Pd atoms. All Yb–Pd bond lengths are 2.91 Å. Pd is bonded in a body-centered cubic geometry to four equivalent Yb and four equivalent Cd atoms. All Pd–Cd bond lengths are 2.91 Å. Cd is bonded in a distorted body-centered cubic geometry to eight equivalent Pd atoms.