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DOE OSTI2020

Materials Data on Ta2NbOs by Materials Project

Ta2NbOs is Heusler structured and crystallizes in the cubic Fm-3m space group. The structure is three-dimensional. Ta is bonded in a distorted body-centered cubic geometry to four equivalent Nb and four equivalent Os atoms. All Ta–Nb bond lengths are 2.80 Å. All Ta–Os bond lengths are 2.80 Å. Nb is bonded in a 8-coordinate geometry to eight equivalent Ta and six equivalent Os atoms. All Nb–Os bond lengths are 3.24 Å. Os is bonded in a distorted body-centered cubic geometry to eight equivalent Ta and six equivalent Nb atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on Ta2NbIr by Materials Project

Ta2NbIr is Heusler structured and crystallizes in the cubic Fm-3m space group. The structure is three-dimensional. Ta is bonded in a distorted body-centered cubic geometry to four equivalent Nb and four equivalent Ir atoms. All Ta–Nb bond lengths are 2.81 Å. All Ta–Ir bond lengths are 2.81 Å. Nb is bonded in a 8-coordinate geometry to eight equivalent Ta and six equivalent Ir atoms. All Nb–Ir bond lengths are 3.24 Å. Ir is bonded in a distorted body-centered cubic geometry to eight equivalent Ta and six equivalent Nb atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on Ta2OsW by Materials Project

Ta2WOs 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 four equivalent W and four equivalent Os atoms. All Ta–W bond lengths are 2.78 Å. All Ta–Os bond lengths are 2.78 Å. W is bonded in a body-centered cubic geometry to eight equivalent Ta atoms. Os is bonded in a body-centered cubic geometry to eight equivalent Ta atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on Ta2NbRu by Materials Project

Ta2NbRu is Heusler structured and crystallizes in the cubic Fm-3m space group. The structure is three-dimensional. Ta is bonded in a distorted body-centered cubic geometry to four equivalent Nb and four equivalent Ru atoms. All Ta–Nb bond lengths are 2.80 Å. All Ta–Ru bond lengths are 2.80 Å. Nb is bonded in a 8-coordinate geometry to eight equivalent Ta and six equivalent Ru atoms. All Nb–Ru bond lengths are 3.23 Å. Ru is bonded in a distorted body-centered cubic geometry to eight equivalent Ta and six equivalent Nb atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on Ta2VOs by Materials Project

Ta2VOs 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 four equivalent V and four equivalent Os atoms. All Ta–V bond lengths are 2.75 Å. All Ta–Os bond lengths are 2.75 Å. V is bonded in a distorted body-centered cubic geometry to eight equivalent Ta and six equivalent Os atoms. All V–Os bond lengths are 3.17 Å. Os is bonded in a body-centered cubic geometry to eight equivalent Ta and six equivalent V atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on Ta2MnOs by Materials Project

Ta2MnOs is Heusler structured and crystallizes in the cubic Fm-3m space group. The structure is three-dimensional. Ta is bonded in a distorted body-centered cubic geometry to four equivalent Mn and four equivalent Os atoms. All Ta–Mn bond lengths are 2.72 Å. All Ta–Os bond lengths are 2.72 Å. Mn is bonded in a 8-coordinate geometry to eight equivalent Ta and six equivalent Os atoms. All Mn–Os bond lengths are 3.14 Å. Os is bonded in a distorted body-centered cubic geometry to eight equivalent Ta and six equivalent Mn atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on Ta2FeOs by Materials Project

Ta2OsFe 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 four equivalent Os and four equivalent Fe atoms. All Ta–Os bond lengths are 2.73 Å. All Ta–Fe bond lengths are 2.73 Å. Os is bonded in a body-centered cubic geometry to eight equivalent Ta atoms. Fe is bonded in a distorted body-centered cubic geometry to eight equivalent Ta atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on Ta2MoOs by Materials Project

Ta2MoOs 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 four equivalent Mo and four equivalent Os atoms. All Ta–Mo bond lengths are 2.78 Å. All Ta–Os bond lengths are 2.78 Å. Mo is bonded in a body-centered cubic geometry to eight equivalent Ta atoms. Os is bonded in a body-centered cubic geometry to eight equivalent Ta atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on Ta2MoRu by Materials Project

Ta2MoRu 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 four equivalent Mo and four equivalent Ru atoms. All Ta–Mo bond lengths are 2.77 Å. All Ta–Ru bond lengths are 2.77 Å. Mo is bonded in a body-centered cubic geometry to eight equivalent Ta atoms. Ru is bonded in a body-centered cubic geometry to eight equivalent Ta atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on TaGaFe2 by Materials Project

TaFe2Ga is Heusler structured and crystallizes in the cubic Fm-3m space group. The structure is three-dimensional. Ta is bonded in a distorted body-centered cubic geometry to eight equivalent Fe and six equivalent Ga atoms. All Ta–Fe bond lengths are 2.55 Å. All Ta–Ga bond lengths are 2.94 Å. Fe is bonded in a distorted body-centered cubic geometry to four equivalent Ta and four equivalent Ga atoms. All Fe–Ga bond lengths are 2.55 Å. Ga is bonded in a 8-coordinate geometry to six equivalent Ta and eight equivalent Fe atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on Ta2CrOs by Materials Project

Ta2CrOs 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 four equivalent Cr and four equivalent Os atoms. All Ta–Cr bond lengths are 2.73 Å. All Ta–Os bond lengths are 2.73 Å. Cr is bonded in a distorted body-centered cubic geometry to eight equivalent Ta and six equivalent Os atoms. All Cr–Os bond lengths are 3.15 Å. Os is bonded in a body-centered cubic geometry to eight equivalent Ta and six equivalent Cr atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on Ta2CrFe by Materials Project

Ta2CrFe 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 four equivalent Cr and four equivalent Fe atoms. All Ta–Cr bond lengths are 2.66 Å. All Ta–Fe bond lengths are 2.66 Å. Cr is bonded in a distorted body-centered cubic geometry to eight equivalent Ta atoms. Fe is bonded in a body-centered cubic geometry to eight equivalent Ta atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on TaMoN by Materials Project

Mo(Ta)N crystallizes in the tetragonal P4/nmm space group. The structure is two-dimensional and consists of one Mo(Ta)N sheet oriented in the (0, 0, 1) direction. Ta is bonded to five equivalent N atoms to form a mixture of distorted edge and corner-sharing TaN5 square pyramids. There are four shorter (2.21 Å) and one longer (2.27 Å) Ta–N bond lengths. Mo is bonded in a single-bond geometry to one N atom. The Mo–N bond length is 2.19 Å. N is bonded to five equivalent Ta and one Mo atom to form a mixture of edge and corner-sharing NTa5Mo octahedra. The corner-sharing octahedral tilt angles are 17°.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on TaMnAs by Materials Project

TaMnAs is half-Heusler structured and crystallizes in the cubic F-43m space group. The structure is three-dimensional. Ta is bonded in a body-centered cubic geometry to four equivalent Mn and four equivalent As atoms. All Ta–Mn bond lengths are 2.63 Å. All Ta–As bond lengths are 2.63 Å. Mn is bonded in a distorted q6 geometry to four equivalent Ta and six equivalent As atoms. All Mn–As bond lengths are 3.03 Å. As is bonded to four equivalent Ta and six equivalent Mn atoms to form a mixture of distorted corner and face-sharing AsTa4Mn6 tetrahedra.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on TaGaPt by Materials Project

TaPtGa is half-Heusler structured and crystallizes in the cubic F-43m space group. The structure is three-dimensional. Ta is bonded in a body-centered cubic geometry to four equivalent Pt and four equivalent Ga atoms. All Ta–Pt bond lengths are 2.66 Å. All Ta–Ga bond lengths are 2.66 Å. Pt is bonded to four equivalent Ta and six equivalent Ga atoms to form a mixture of distorted corner and face-sharing PtTa4Ga6 tetrahedra. All Pt–Ga bond lengths are 3.07 Å. Ga is bonded in a 4-coordinate geometry to four equivalent Ta and six equivalent Pt atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on TaAlPt by Materials Project

TaPtAl is half-Heusler structured and crystallizes in the cubic F-43m space group. The structure is three-dimensional. Ta is bonded in a body-centered cubic geometry to four equivalent Pt and four equivalent Al atoms. All Ta–Pt bond lengths are 2.66 Å. All Ta–Al bond lengths are 2.66 Å. Pt is bonded to four equivalent Ta and six equivalent Al atoms to form a mixture of distorted face and corner-sharing PtTa4Al6 tetrahedra. All Pt–Al bond lengths are 3.07 Å. Al is bonded in a 10-coordinate geometry to four equivalent Ta and six equivalent Pt atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on TaInNi by Materials Project

TaNiIn is half-Heusler structured and crystallizes in the cubic F-43m space group. The structure is three-dimensional. Ta is bonded in a body-centered cubic geometry to four equivalent Ni and four equivalent In atoms. All Ta–Ni bond lengths are 2.68 Å. All Ta–In bond lengths are 2.68 Å. Ni is bonded to four equivalent Ta and six equivalent In atoms to form distorted NiTa4In6 tetrahedra that share corners with four equivalent InTa4Ni6 tetrahedra, corners with six equivalent NiTa4In6 tetrahedra, edges with six equivalent InTa4Ni6 tetrahedra, and faces with twelve equivalent NiTa4In6 tetrahedra. All Ni–In bond lengths are 3.10 Å. In is bonded to four equivalent Ta and six equivalent Ni atoms to form distorted InTa4Ni6 tetrahedra that share corners with four equivalent NiTa4In6 tetrahedra, corners with six equivalent InTa4Ni6 tetrahedra, edges with six equivalent NiTa4In6 tetrahedra, and faces with twelve equivalent InTa4Ni6 tetrahedra.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on TaGeRh by Materials Project

TaRhGe is half-Heusler structured and crystallizes in the cubic F-43m space group. The structure is three-dimensional. Ta is bonded in a body-centered cubic geometry to four equivalent Rh and four equivalent Ge atoms. All Ta–Rh bond lengths are 2.64 Å. All Ta–Ge bond lengths are 2.64 Å. Rh is bonded to four equivalent Ta and six equivalent Ge atoms to form distorted RhTa4Ge6 tetrahedra that share corners with four equivalent GeTa4Rh6 tetrahedra, corners with six equivalent RhTa4Ge6 tetrahedra, edges with six equivalent GeTa4Rh6 tetrahedra, and faces with twelve equivalent RhTa4Ge6 tetrahedra. All Rh–Ge bond lengths are 3.05 Å. Ge is bonded to four equivalent Ta and six equivalent Rh atoms to form distorted GeTa4Rh6 tetrahedra that share corners with four equivalent RhTa4Ge6 tetrahedra, corners with six equivalent GeTa4Rh6 tetrahedra, edges with six equivalent RhTa4Ge6 tetrahedra, and faces with twelve equivalent GeTa4Rh6 tetrahedra.

36 MATERIALS SCIENCE↗