cometadata/datacite-titles-descriptions-related-identifiers huggingface dataset:
DOI: 10.17188/1312158
title: Materials Data on RbTl2Bi by Materials Project

description: RbTl2Bi is Heusler structured and crystallizes in the cubic Fm-3m space group. The structure is three-dimensional. Rb is bonded in a distorted body-centered cubic geometry to eight equivalent Tl and six equivalent Bi atoms. All Rb–Tl bond lengths are 3.60 Å. All Rb–Bi bond lengths are 4.16 Å. Tl is bonded in a body-centered cubic geometry to four equivalent Rb and four equivalent Bi atoms. All Tl–Bi bond lengths are 3.60 Å. Bi is bonded in a 8-coordinate geometry to six equivalent Rb and eight equivalent Tl atoms.
DOI: 10.17188/1312159
title: Materials Data on TaGaOs2 by Materials Project

description: TaOs2Ga is Heusler structured and crystallizes in the cubic Fm-3m space group. The structure is three-dimensional. Ta is bonded in a body-centered cubic geometry to eight equivalent Os atoms. All Ta–Os bond lengths are 2.71 Å. Os is bonded in a body-centered cubic geometry to four equivalent Ta and four equivalent Ga atoms. All Os–Ga bond lengths are 2.71 Å. Ga is bonded in a body-centered cubic geometry to eight equivalent Os atoms.
DOI: 10.17188/1312160
title: Materials Data on Ba5Ru2O11 by Materials Project

description: Ba5Ru2O9(O2) crystallizes in the monoclinic C2/c space group. The structure is three-dimensional. there are three inequivalent Ba2+ sites. In the first Ba2+ site, Ba2+ is bonded in a 9-coordinate geometry to nine O2- atoms. There are a spread of Ba–O bond distances ranging from 2.63–3.23 Å. In the second Ba2+ site, Ba2+ is bonded to twelve O2- atoms to form BaO12 cuboctahedra that share corners with six equivalent BaO12 cuboctahedra and faces with six equivalent RuO6 octahedra. There are a spread of Ba–O bond distances ranging from 3.02–3.11 Å. In the third Ba2+ site, Ba2+ is bonded in a 11-coordinate geometry to eleven O2- atoms. There are a spread of Ba–O bond distances ranging from 2.64–3.07 Å. Ru6+ is bonded to six O2- atoms to form RuO6 octahedra that share faces with three equivalent BaO12 cuboctahedra and a faceface with one RuO6 octahedra. There are a spread of Ru–O bond distances ranging from 1.91–2.09 Å. There are six inequivalent O2- sites. In the first O2- site, O2- is bonded in a 6-coordinate geometry to five Ba2+ and one Ru6+ atom. In the second O2- site, O2- is bonded in a 1-coordinate geometry to five Ba2+ and one Ru6+ atom. In the third O2- site, O2- is bonded to four Ba2+ and two equivalent Ru6+ atoms to form a mixture of distorted corner and face-sharing OBa4Ru2 octahedra. The corner-sharing octahedra tilt angles range from 7–60°. In the fourth O2- site, O2- is bonded in a 6-coordinate geometry to five Ba2+ and one O2- atom. The O–O bond length is 1.50 Å. In the fifth O2- site, O2- is bonded in a 1-coordinate geometry to five Ba2+ and one Ru6+ atom. In the sixth O2- site, O2- is bonded to four Ba2+ and two equivalent Ru6+ atoms to form a mixture of distorted corner and face-sharing OBa4Ru2 octahedra. The corner-sharing octahedra tilt angles range from 8–60°.
DOI: 10.17188/1312161
title: Materials Data on ReIr3 by Materials Project

description: ReIr3 is beta Cu3Ti-like structured and crystallizes in the hexagonal P6_3/mmc space group. The structure is three-dimensional. Re is bonded to twelve equivalent Ir atoms to form ReIr12 cuboctahedra that share corners with six equivalent ReIr12 cuboctahedra, corners with twelve equivalent IrRe4Ir8 cuboctahedra, edges with eighteen equivalent IrRe4Ir8 cuboctahedra, faces with eight equivalent ReIr12 cuboctahedra, and faces with twelve equivalent IrRe4Ir8 cuboctahedra. There are six shorter (2.71 Å) and six longer (2.77 Å) Re–Ir bond lengths. Ir is bonded to four equivalent Re and eight equivalent Ir atoms to form distorted IrRe4Ir8 cuboctahedra that share corners with four equivalent ReIr12 cuboctahedra, corners with fourteen equivalent IrRe4Ir8 cuboctahedra, edges with six equivalent ReIr12 cuboctahedra, edges with twelve equivalent IrRe4Ir8 cuboctahedra, faces with four equivalent ReIr12 cuboctahedra, and faces with sixteen equivalent IrRe4Ir8 cuboctahedra. There are a spread of Ir–Ir bond distances ranging from 2.72–2.78 Å.
DOI: 10.17188/1312162
title: Materials Data on Sc2CuIr by Materials Project

description: Sc2IrCu 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 Ir and four equivalent Cu atoms. All Sc–Ir bond lengths are 2.80 Å. All Sc–Cu bond lengths are 2.80 Å. Ir 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: 10.17188/1312163
title: Materials Data on ScNbTc2 by Materials Project

description: ScNbTc2 is Heusler structured and crystallizes in the cubic Fm-3m space group. The structure is three-dimensional. Sc3+ is bonded in a body-centered cubic geometry to eight equivalent Tc3- atoms. All Sc–Tc bond lengths are 2.78 Å. Nb3+ is bonded in a body-centered cubic geometry to eight equivalent Tc3- atoms. All Nb–Tc bond lengths are 2.78 Å. Tc3- is bonded in a body-centered cubic geometry to four equivalent Sc3+ and four equivalent Nb3+ atoms.
DOI: 10.17188/1312164
title: Materials Data on RbTl3 by Materials Project

description: RbTl3 crystallizes in the hexagonal P6_3/mmc space group. The structure is three-dimensional. Rb is bonded in a 12-coordinate geometry to twelve equivalent Tl atoms. There are six shorter (3.93 Å) and six longer (4.19 Å) Rb–Tl bond lengths. Tl is bonded in a 2-coordinate geometry to four equivalent Rb and six equivalent Tl atoms. There are four shorter (3.33 Å) and two longer (3.39 Å) Tl–Tl bond lengths.
DOI: 10.17188/1312165
title: Materials Data on La2AgRu by Materials Project

description: La2RuAg 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 four equivalent Ru and four equivalent Ag atoms. All La–Ru bond lengths are 3.19 Å. All La–Ag bond lengths are 3.19 Å. Ru is bonded in a body-centered cubic geometry to eight equivalent La atoms. Ag is bonded in a body-centered cubic geometry to eight equivalent La atoms.
DOI: 10.17188/1312166
title: Materials Data on Ca2BiAu by Materials Project

description: Ca2AuBi is Heusler structured and crystallizes in the cubic Fm-3m space group. The structure is three-dimensional. Ca is bonded in a body-centered cubic geometry to four equivalent Au and four equivalent Bi atoms. All Ca–Au bond lengths are 3.31 Å. All Ca–Bi bond lengths are 3.31 Å. Au is bonded in a body-centered cubic geometry to eight equivalent Ca atoms. Bi is bonded in a body-centered cubic geometry to eight equivalent Ca atoms.
DOI: 10.17188/1312167
title: Materials Data on NaAlPO4F by Materials Project

description: NaAlPO4F crystallizes in the monoclinic C2/c space group. The structure is three-dimensional. Na1+ is bonded in a 7-coordinate geometry to six O2- and one F1- atom. There are a spread of Na–O bond distances ranging from 2.33–2.60 Å. The Na–F bond length is 2.18 Å. Al3+ is bonded to four O2- and two equivalent F1- atoms to form AlO4F2 octahedra that share corners with two equivalent AlO4F2 octahedra and corners with four equivalent PO4 tetrahedra. The corner-sharing octahedral tilt angles are 37°. There is two shorter (1.91 Å) and two longer (1.92 Å) Al–O bond length. Both Al–F bond lengths are 1.84 Å. P5+ is bonded to four O2- atoms to form PO4 tetrahedra that share corners with four equivalent AlO4F2 octahedra. The corner-sharing octahedra tilt angles range from 32–49°. There is two shorter (1.55 Å) and two longer (1.56 Å) P–O bond length. There are two inequivalent O2- sites. In the first O2- site, O2- is bonded in a 4-coordinate geometry to two equivalent Na1+, one Al3+, and one P5+ atom. In the second O2- site, O2- is bonded in a 3-coordinate geometry to one Na1+, one Al3+, and one P5+ atom. F1- is bonded in a 3-coordinate geometry to one Na1+ and two equivalent Al3+ atoms.
DOI: 10.17188/1312168
title: Materials Data on AcSe3 by Materials Project

description: AcSe3 crystallizes in the hexagonal P6_3/mmc space group. The structure is three-dimensional. Ac3+ is bonded to twelve equivalent Se1- atoms to form a mixture of face and corner-sharing AcSe12 cuboctahedra. There are six shorter (3.13 Å) and six longer (3.51 Å) Ac–Se bond lengths. Se1- is bonded in a 2-coordinate geometry to four equivalent Ac3+ atoms.
DOI: 10.17188/1312169
title: Materials Data on La2AgSn by Materials Project

description: La2AgSn 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 four equivalent Ag and four equivalent Sn atoms. All La–Ag bond lengths are 3.38 Å. All La–Sn bond lengths are 3.38 Å. Ag is bonded in a body-centered cubic geometry to eight equivalent La atoms. Sn is bonded in a body-centered cubic geometry to eight equivalent La atoms.
DOI: 10.17188/1312170
title: Materials Data on Sc2CuOs by Materials Project

description: Sc2OsCu 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 Cu atoms. All Sc–Os bond lengths are 2.80 Å. All Sc–Cu bond lengths are 2.80 Å. Os 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: 10.17188/1312171
title: Materials Data on LiCa2Cd by Materials Project

description: LiCa2Cd 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 Ca atoms. All Li–Ca bond lengths are 3.36 Å. Ca is bonded in a distorted body-centered cubic geometry to four equivalent Li and four equivalent Cd atoms. All Ca–Cd bond lengths are 3.36 Å. Cd is bonded in a body-centered cubic geometry to eight equivalent Ca atoms.
DOI: 10.17188/1312172
title: Materials Data on ScPaRu2 by Materials Project

description: PaScRu2 is Heusler structured and crystallizes in the cubic Fm-3m space group. The structure is three-dimensional. Pa is bonded in a body-centered cubic geometry to eight equivalent Ru atoms. All Pa–Ru bond lengths are 2.89 Å. Sc is bonded in a body-centered cubic geometry to eight equivalent Ru atoms. All Sc–Ru bond lengths are 2.89 Å. Ru is bonded in a body-centered cubic geometry to four equivalent Pa and four equivalent Sc atoms.
DOI: 10.17188/1312173
title: Materials Data on LiCa2Ga by Materials Project

description: LiCa2Ga 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 Ca atoms. All Li–Ca bond lengths are 3.24 Å. Ca is bonded in a distorted body-centered cubic geometry to four equivalent Li and four equivalent Ga atoms. All Ca–Ga bond lengths are 3.24 Å. Ga is bonded in a body-centered cubic geometry to eight equivalent Ca atoms.
DOI: 10.17188/1312174
title: Materials Data on LiLa2Ir by Materials Project

description: LiLa2Ir 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 La atoms. All Li–La bond lengths are 3.17 Å. La is bonded in a distorted body-centered cubic geometry to four equivalent Li and four equivalent Ir atoms. All La–Ir bond lengths are 3.17 Å. Ir is bonded in a body-centered cubic geometry to eight equivalent La atoms.
DOI: 10.17188/1312175
title: Materials Data on LiYTl2 by Materials Project

description: LiYTl2 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. Y is bonded in a body-centered cubic geometry to eight equivalent Tl atoms. All Y–Tl bond lengths are 3.19 Å. Tl is bonded in a body-centered cubic geometry to four equivalent Li and four equivalent Y atoms.
DOI: 10.17188/1312176
title: Materials Data on LiYHg2 by Materials Project

description: LiYHg2 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 3.09 Å. Y is bonded in a body-centered cubic geometry to eight equivalent Hg atoms. All Y–Hg bond lengths are 3.09 Å. Hg is bonded in a body-centered cubic geometry to four equivalent Li and four equivalent Y atoms.
DOI: 10.17188/1312177
title: Materials Data on TaMnRu2 by Materials Project

description: TaMnRu2 is Heusler structured and crystallizes in the cubic Fm-3m space group. The structure is three-dimensional. Ta is bonded in a body-centered cubic geometry to eight equivalent Ru atoms. All Ta–Ru bond lengths are 2.69 Å. Mn is bonded in a body-centered cubic geometry to eight equivalent Ru atoms. All Mn–Ru bond lengths are 2.69 Å. Ru is bonded in a body-centered cubic geometry to four equivalent Ta and four equivalent Mn atoms.
DOI: 10.17188/1312178
title: Materials Data on LiAlNi2 by Materials Project

description: LiNi2Al 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 Ni and six equivalent Al atoms. All Li–Ni bond lengths are 2.46 Å. All Li–Al bond lengths are 2.84 Å. Ni is bonded in a body-centered cubic geometry to four equivalent Li and four equivalent Al atoms. All Ni–Al bond lengths are 2.46 Å. Al is bonded in a distorted body-centered cubic geometry to six equivalent Li and eight equivalent Ni atoms.
DOI: 10.17188/1312179
title: Materials Data on LiLa2Os by Materials Project

description: LiLa2Os 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 La atoms. All Li–La bond lengths are 3.15 Å. La is bonded in a distorted body-centered cubic geometry to four equivalent Li and four equivalent Os atoms. All La–Os bond lengths are 3.15 Å. Os is bonded in a body-centered cubic geometry to eight equivalent La atoms.
DOI: 10.17188/1312180
title: Materials Data on LaTlAu2 by Materials Project

description: LaAu2Tl 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 3.18 Å. Au is bonded in a body-centered cubic geometry to four equivalent La and four equivalent Tl atoms. All Au–Tl bond lengths are 3.18 Å. Tl is bonded in a body-centered cubic geometry to eight equivalent Au atoms.
DOI: 10.17188/1312181
title: Materials Data on AcGa3 by Materials Project

description: AcGa3 crystallizes in the hexagonal P6_3/mmc space group. The structure is three-dimensional. Ac is bonded in a 12-coordinate geometry to twelve equivalent Ga atoms. There are six shorter (3.32 Å) and six longer (3.44 Å) Ac–Ga bond lengths. Ga is bonded in a 10-coordinate geometry to four equivalent Ac and six equivalent Ga atoms. There are two shorter (2.78 Å) and four longer (2.85 Å) Ga–Ga bond lengths.
DOI: 10.17188/1312182
title: Materials Data on TaRu3 by Materials Project

description: TaRu3 is Uranium Silicide structured and crystallizes in the cubic Pm-3m space group. The structure is three-dimensional. Ta is bonded to twelve equivalent Ru atoms to form TaRu12 cuboctahedra that share corners with twelve equivalent TaRu12 cuboctahedra, edges with twenty-four equivalent RuTa4Ru8 cuboctahedra, faces with six equivalent TaRu12 cuboctahedra, and faces with twelve equivalent RuTa4Ru8 cuboctahedra. All Ta–Ru bond lengths are 2.76 Å. Ru is bonded to four equivalent Ta and eight equivalent Ru atoms to form distorted RuTa4Ru8 cuboctahedra that share corners with twelve equivalent RuTa4Ru8 cuboctahedra, edges with eight equivalent TaRu12 cuboctahedra, edges with sixteen equivalent RuTa4Ru8 cuboctahedra, faces with four equivalent TaRu12 cuboctahedra, and faces with fourteen equivalent RuTa4Ru8 cuboctahedra. All Ru–Ru bond lengths are 2.76 Å.
DOI: 10.17188/1312183
title: Materials Data on LaTlAg2 by Materials Project

description: LaAg2Tl 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 Ag atoms. All La–Ag bond lengths are 3.17 Å. Ag is bonded in a body-centered cubic geometry to four equivalent La and four equivalent Tl atoms. All Ag–Tl bond lengths are 3.17 Å. Tl is bonded in a distorted body-centered cubic geometry to eight equivalent Ag atoms.
DOI: 10.17188/1312184
title: Materials Data on SiH9C3Cl (SG:11) 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: 10.17188/1312187
title: Materials Data on LiAlPd2 by Materials Project

description: LiPd2Al 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 2.62 Å. Pd is bonded in a body-centered cubic geometry to four equivalent Li and four equivalent Al atoms. All Pd–Al bond lengths are 2.62 Å. Al is bonded in a distorted body-centered cubic geometry to eight equivalent Pd atoms.
DOI: 10.17188/1312188
title: Materials Data on TaTiMn2 by Materials Project

description: TiTaMn2 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 eight equivalent Mn atoms. All Ti–Mn bond lengths are 2.62 Å. Ta is bonded in a distorted body-centered cubic geometry to eight equivalent Mn atoms. All Ta–Mn bond lengths are 2.62 Å. Mn is bonded in a body-centered cubic geometry to four equivalent Ti and four equivalent Ta atoms.
DOI: 10.17188/1312189
title: Materials Data on LiYAu2 by Materials Project

description: LiYAu2 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 2.98 Å. Y is bonded in a body-centered cubic geometry to eight equivalent Au atoms. All Y–Au bond lengths are 2.98 Å. Au is bonded in a body-centered cubic geometry to four equivalent Li and four equivalent Y atoms.
DOI: 10.17188/1312190
title: Materials Data on RbTaGeS5 (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: 10.17188/1312192
title: Materials Data on DyMgHg2 by Materials Project

description: MgDyHg2 is Heusler structured and crystallizes in the cubic Fm-3m space group. The structure is three-dimensional. Mg is bonded in a body-centered cubic geometry to eight equivalent Hg atoms. All Mg–Hg bond lengths are 3.11 Å. Dy is bonded in a body-centered cubic geometry to eight equivalent Hg atoms. All Dy–Hg bond lengths are 3.11 Å. Hg is bonded in a body-centered cubic geometry to four equivalent Mg and four equivalent Dy atoms.
DOI: 10.17188/1312193
title: Materials Data on DyCdAu2 by Materials Project

description: DyAu2Cd 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 eight equivalent Au atoms. All Dy–Au bond lengths are 3.03 Å. Au is bonded in a body-centered cubic geometry to four equivalent Dy 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: 10.17188/1312194
title: Materials Data on BeNbRu2 by Materials Project

description: BeNbRu2 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. Nb is bonded in a body-centered cubic geometry to eight equivalent Ru atoms. All Nb–Ru bond lengths are 2.62 Å. Ru is bonded in a body-centered cubic geometry to four equivalent Be and four equivalent Nb atoms.
DOI: 10.17188/1312195
title: Materials Data on LiVRh2 by Materials Project

description: LiVRh2 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 Rh atoms. All Li–Rh bond lengths are 2.57 Å. V is bonded in a distorted body-centered cubic geometry to eight equivalent Rh atoms. All V–Rh bond lengths are 2.57 Å. Rh is bonded in a body-centered cubic geometry to four equivalent Li and four equivalent V atoms.
DOI: 10.17188/1312196
title: Materials Data on RbUAuSe3 by Materials Project

description: RbAuUSe3 crystallizes in the orthorhombic Cmcm space group. The structure is three-dimensional. Rb1+ is bonded in a 10-coordinate geometry to two equivalent Au1- and eight Se2- atoms. Both Rb–Au bond lengths are 3.85 Å. There are a spread of Rb–Se bond distances ranging from 3.55–3.70 Å. U6+ is bonded to four equivalent Au1- and six Se2- atoms to form a mixture of corner and face-sharing UAu4Se6 octahedra. The corner-sharing octahedral tilt angles are 22°. All U–Au bond lengths are 3.49 Å. All U–Se bond lengths are 2.88 Å. Au1- is bonded in a 4-coordinate geometry to two equivalent Rb1+, four equivalent U6+, and four Se2- atoms. There are two shorter (2.57 Å) and two longer (2.70 Å) Au–Se bond lengths. There are two inequivalent Se2- sites. In the first Se2- site, Se2- is bonded in a 6-coordinate geometry to three equivalent Rb1+, two equivalent U6+, and one Au1- atom. In the second Se2- site, Se2- is bonded in a 6-coordinate geometry to two equivalent Rb1+, two equivalent U6+, and two equivalent Au1- atoms.
DOI: 10.17188/1312197
title: Materials Data on DyMgRh2 by Materials Project

description: MgDyRh2 is Heusler structured and crystallizes in the cubic Fm-3m space group. The structure is three-dimensional. Mg is bonded in a body-centered cubic geometry to eight equivalent Rh atoms. All Mg–Rh bond lengths are 2.85 Å. Dy is bonded in a body-centered cubic geometry to eight equivalent Rh atoms. All Dy–Rh bond lengths are 2.85 Å. Rh is bonded in a body-centered cubic geometry to four equivalent Mg and four equivalent Dy atoms.
DOI: 10.17188/1312198
title: Materials Data on LaMgHg2 by Materials Project

description: MgLaHg2 is Heusler structured and crystallizes in the cubic Fm-3m space group. The structure is three-dimensional. Mg is bonded in a body-centered cubic geometry to eight equivalent Hg atoms. All Mg–Hg bond lengths are 3.23 Å. La is bonded in a body-centered cubic geometry to eight equivalent Hg atoms. All La–Hg bond lengths are 3.23 Å. Hg is bonded in a body-centered cubic geometry to four equivalent Mg and four equivalent La atoms.
DOI: 10.17188/1312199
title: Materials Data on LiHfPt2 by Materials Project

description: LiHfPt2 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 Pt atoms. All Li–Pt bond lengths are 2.77 Å. Hf is bonded in a body-centered cubic geometry to eight equivalent Pt atoms. All Hf–Pt bond lengths are 2.77 Å. Pt is bonded in a body-centered cubic geometry to four equivalent Li and four equivalent Hf atoms.