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DOE OSTI2020

Materials Data on Li3Sm by Materials Project

Li3Sm is alpha bismuth trifluoride structured and crystallizes in the cubic Fm-3m space group. The structure is three-dimensional. there are two inequivalent Li sites. In the first Li site, Li is bonded in a body-centered cubic geometry to four equivalent Li and four equivalent Sm atoms. All Li–Li bond lengths are 3.14 Å. All Li–Sm bond lengths are 3.14 Å. In the second Li site, Li is bonded in a 8-coordinate geometry to eight equivalent Li and six equivalent Sm atoms. All Li–Sm bond lengths are 3.63 Å. Sm is bonded in a distorted body-centered cubic geometry to fourteen Li atoms.

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DOE OSTI2020

Materials Data on SmDy3 by Materials Project

Dy3Sm is alpha La-derived structured and crystallizes in the tetragonal I4/mmm space group. The structure is three-dimensional. there are two inequivalent Dy sites. In the first Dy site, Dy is bonded to eight Dy and four equivalent Sm atoms to form DySm4Dy8 cuboctahedra that share corners with twelve equivalent DySm4Dy8 cuboctahedra, edges with eight equivalent SmDy12 cuboctahedra, edges with sixteen DySm4Dy8 cuboctahedra, faces with four equivalent SmDy12 cuboctahedra, and faces with fourteen DySm4Dy8 cuboctahedra. All Dy–Dy bond lengths are 3.57 Å. All Dy–Sm bond lengths are 3.57 Å. In the second Dy site, Dy is bonded to eight equivalent Dy and four equivalent Sm atoms to form DySm4Dy8 cuboctahedra that share corners with four equivalent DySm4Dy8 cuboctahedra, corners with eight equivalent SmDy12 cuboctahedra, edges with twenty-four DySm4Dy8 cuboctahedra, faces with six equivalent SmDy12 cuboctahedra, and faces with twelve DySm4Dy8 cuboctahedra. All Dy–Sm bond lengths are 3.57 Å. Sm is bonded to twelve Dy atoms to form SmDy12 cuboctahedra that share corners with four equivalent SmDy12 cuboctahedra, corners with eight equivalent DySm4Dy8 cuboctahedra, edges with eight equivalent SmDy12 cuboctahedra, edges with sixteen equivalent DySm4Dy8 cuboctahedra, faces with four equivalent SmDy12 cuboctahedra, and faces with fourteen DySm4Dy8 cuboctahedra.

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Materials Data on Sm2AgHg by Materials Project

Sm2AgHg is Heusler structured and crystallizes in the cubic Fm-3m space group. The structure is three-dimensional. Sm is bonded in a body-centered cubic geometry to four equivalent Ag and four equivalent Hg atoms. All Sm–Ag bond lengths are 3.25 Å. All Sm–Hg bond lengths are 3.25 Å. Ag is bonded in a body-centered cubic geometry to eight equivalent Sm atoms. Hg is bonded in a body-centered cubic geometry to eight equivalent Sm atoms.

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DOE OSTI2020

Materials Data on SmEr3 by Materials Project

Er3Sm is alpha La-derived structured and crystallizes in the tetragonal I4/mmm space group. The structure is three-dimensional. there are two inequivalent Er sites. In the first Er site, Er is bonded to eight Er and four equivalent Sm atoms to form ErSm4Er8 cuboctahedra that share corners with twelve equivalent ErSm4Er8 cuboctahedra, edges with eight equivalent SmEr12 cuboctahedra, edges with sixteen ErSm4Er8 cuboctahedra, faces with four equivalent SmEr12 cuboctahedra, and faces with fourteen ErSm4Er8 cuboctahedra. There are four shorter (3.53 Å) and four longer (3.54 Å) Er–Er bond lengths. All Er–Sm bond lengths are 3.53 Å. In the second Er site, Er is bonded to eight equivalent Er and four equivalent Sm atoms to form ErSm4Er8 cuboctahedra that share corners with four equivalent ErSm4Er8 cuboctahedra, corners with eight equivalent SmEr12 cuboctahedra, edges with twenty-four ErSm4Er8 cuboctahedra, faces with six equivalent SmEr12 cuboctahedra, and faces with twelve ErSm4Er8 cuboctahedra. All Er–Sm bond lengths are 3.54 Å. Sm is bonded to twelve Er atoms to form SmEr12 cuboctahedra that share corners with four equivalent SmEr12 cuboctahedra, corners with eight equivalent ErSm4Er8 cuboctahedra, edges with eight equivalent SmEr12 cuboctahedra, edges with sixteen equivalent ErSm4Er8 cuboctahedra, faces with four equivalent SmEr12 cuboctahedra, and faces with fourteen ErSm4Er8 cuboctahedra.

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DOE OSTI2020

Materials Data on Sm2MgIr by Materials Project

MgSm2Ir 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 Sm atoms. All Mg–Sm bond lengths are 3.14 Å. Sm is bonded in a distorted body-centered cubic geometry to four equivalent Mg and four equivalent Ir atoms. All Sm–Ir bond lengths are 3.14 Å. Ir is bonded in a body-centered cubic geometry to eight equivalent Sm atoms.

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Materials Data on Sm2MgTl by Materials Project

MgSm2Tl 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 Sm atoms. All Mg–Sm bond lengths are 3.34 Å. Sm is bonded in a body-centered cubic geometry to four equivalent Mg and four equivalent Tl atoms. All Sm–Tl bond lengths are 3.34 Å. Tl is bonded in a body-centered cubic geometry to eight equivalent Sm atoms.

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Materials Data on SmFeP by Materials Project

SmFeP is Matlockite structured and crystallizes in the tetragonal P4/nmm space group. The structure is two-dimensional and consists of one SmFeP sheet oriented in the (0, 0, 1) direction. Sm is bonded in a 8-coordinate geometry to four equivalent Fe and four equivalent P atoms. All Sm–Fe bond lengths are 3.00 Å. All Sm–P bond lengths are 2.93 Å. Fe is bonded to four equivalent Sm and four equivalent P atoms to form a mixture of distorted edge and face-sharing FeSm4P4 tetrahedra. All Fe–P bond lengths are 2.25 Å. P is bonded in a 8-coordinate geometry to four equivalent Sm and four equivalent Fe atoms.

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Materials Data on Sm2TlHg by Materials Project

Sm2HgTl is Heusler structured and crystallizes in the cubic Fm-3m space group. The structure is three-dimensional. Sm is bonded in a body-centered cubic geometry to four equivalent Hg and four equivalent Tl atoms. All Sm–Hg bond lengths are 3.32 Å. All Sm–Tl bond lengths are 3.32 Å. Hg is bonded in a body-centered cubic geometry to eight equivalent Sm atoms. Tl is bonded in a body-centered cubic geometry to eight equivalent Sm atoms.

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Materials Data on Sm2ZnGa by Materials Project

Sm2ZnGa is Heusler structured and crystallizes in the cubic Fm-3m space group. The structure is three-dimensional. Sm is bonded in a body-centered cubic geometry to four equivalent Zn and four equivalent Ga atoms. All Sm–Zn bond lengths are 3.17 Å. All Sm–Ga bond lengths are 3.17 Å. Zn is bonded in a body-centered cubic geometry to eight equivalent Sm atoms. Ga is bonded in a body-centered cubic geometry to eight equivalent Sm atoms.

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Materials Data on Sm2InAg by Materials Project

Sm2AgIn is Heusler structured and crystallizes in the cubic Fm-3m space group. The structure is three-dimensional. Sm is bonded in a body-centered cubic geometry to four equivalent Ag and four equivalent In atoms. All Sm–Ag bond lengths are 3.29 Å. All Sm–In bond lengths are 3.29 Å. Ag is bonded in a body-centered cubic geometry to eight equivalent Sm atoms. In is bonded in a body-centered cubic geometry to eight equivalent Sm atoms.

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Materials Data on Sm2ZnAg by Materials Project

Sm2AgZn is Heusler structured and crystallizes in the cubic Fm-3m space group. The structure is three-dimensional. Sm is bonded in a body-centered cubic geometry to four equivalent Ag and four equivalent Zn atoms. All Sm–Ag bond lengths are 3.19 Å. All Sm–Zn bond lengths are 3.19 Å. Ag is bonded in a body-centered cubic geometry to eight equivalent Sm atoms. Zn is bonded in a body-centered cubic geometry to eight equivalent Sm atoms.

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Materials Data on SmZnIn by Materials Project

SmZnIn is hexagonal omega structure-derived structured and crystallizes in the hexagonal P6_3/mmc space group. The structure is three-dimensional. Sm is bonded to six equivalent Zn and six equivalent In atoms to form a mixture of face and edge-sharing SmZn6In6 cuboctahedra. All Sm–Zn bond lengths are 3.30 Å. All Sm–In bond lengths are 3.30 Å. Zn is bonded in a 9-coordinate geometry to six equivalent Sm and three equivalent In atoms. All Zn–In bond lengths are 2.72 Å. In is bonded in a 9-coordinate geometry to six equivalent Sm and three equivalent Zn atoms.

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Materials Data on SmFe12 by Materials Project

SmFe12 crystallizes in the tetragonal I4/mmm space group. The structure is three-dimensional. Sm is bonded to sixteen Fe atoms to form distorted face-sharing SmFe16 cuboctahedra. There are a spread of Sm–Fe bond distances ranging from 2.87–3.29 Å. There are three inequivalent Fe sites. In the first Fe site, Fe is bonded in a 6-coordinate geometry to two equivalent Sm and twelve Fe atoms. There are a spread of Fe–Fe bond distances ranging from 2.45–3.04 Å. In the second Fe site, Fe is bonded in a 12-coordinate geometry to one Sm and eleven Fe atoms. There are a spread of Fe–Fe bond distances ranging from 2.39–2.77 Å. In the third Fe site, Fe is bonded in a 7-coordinate geometry to one Sm and ten Fe atoms. Both Fe–Fe bond lengths are 2.26 Å.

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Materials Data on SmSbPd by Materials Project

SmPdSb is hexagonal omega structure-derived structured and crystallizes in the hexagonal P6_3/mmc space group. The structure is three-dimensional. Sm is bonded to six equivalent Pd and six equivalent Sb atoms to form a mixture of face and edge-sharing SmSb6Pd6 cuboctahedra. All Sm–Pd bond lengths are 3.30 Å. All Sm–Sb bond lengths are 3.30 Å. Pd is bonded in a 9-coordinate geometry to six equivalent Sm and three equivalent Sb atoms. All Pd–Sb bond lengths are 2.65 Å. Sb is bonded in a 9-coordinate geometry to six equivalent Sm and three equivalent Pd atoms.

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Materials Data on SmGeRu by Materials Project

SmRuGe is Matlockite structured and crystallizes in the tetragonal P4/nmm space group. The structure is three-dimensional. Sm is bonded in a 9-coordinate geometry to four equivalent Ru and five equivalent Ge atoms. All Sm–Ru bond lengths are 3.02 Å. There are four shorter (3.15 Å) and one longer (3.32 Å) Sm–Ge bond lengths. Ru is bonded in a distorted body-centered cubic geometry to four equivalent Sm and four equivalent Ge atoms. All Ru–Ge bond lengths are 2.54 Å. Ge is bonded in a 9-coordinate geometry to five equivalent Sm and four equivalent Ru atoms.

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Materials Data on SmGeAu by Materials Project

SmAuGe crystallizes in the hexagonal P6_3mc space group. The structure is three-dimensional. Sm is bonded in a 12-coordinate geometry to six equivalent Au and six equivalent Ge atoms. There are three shorter (3.12 Å) and three longer (3.34 Å) Sm–Au bond lengths. There are three shorter (3.06 Å) and three longer (3.40 Å) Sm–Ge bond lengths. Au is bonded in a 9-coordinate geometry to six equivalent Sm and three equivalent Ge atoms. All Au–Ge bond lengths are 2.64 Å. Ge is bonded in a 3-coordinate geometry to six equivalent Sm and three equivalent Au atoms.

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Materials Data on SmPbAu by Materials Project

SmAuPb is hexagonal omega structure-derived structured and crystallizes in the hexagonal P6_3/mmc space group. The structure is three-dimensional. Sm is bonded to six equivalent Au and six equivalent Pb atoms to form a mixture of edge and face-sharing SmPb6Au6 cuboctahedra. All Sm–Au bond lengths are 3.39 Å. All Sm–Pb bond lengths are 3.39 Å. Au is bonded in a 9-coordinate geometry to six equivalent Sm and three equivalent Pb atoms. All Au–Pb bond lengths are 2.82 Å. Pb is bonded in a 9-coordinate geometry to six equivalent Sm and three equivalent Au atoms.

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Materials Data on Li3SmBi2 by Materials Project

Li3SmBi2 crystallizes in the trigonal P-3m1 space group. The structure is three-dimensional. there are two inequivalent Li sites. In the first Li site, Li is bonded to three equivalent Li and four equivalent Bi atoms to form distorted LiLi3Bi4 tetrahedra that share corners with three equivalent SmLi2Bi6 octahedra, corners with three equivalent LiLi3Bi4 tetrahedra, edges with three equivalent SmLi2Bi6 octahedra, edges with six equivalent LiLi3Bi4 tetrahedra, faces with three equivalent SmLi2Bi6 octahedra, and faces with three equivalent LiLi3Bi4 tetrahedra. The corner-sharing octahedral tilt angles are 19°. All Li–Li bond lengths are 2.93 Å. There are three shorter (2.81 Å) and one longer (2.96 Å) Li–Bi bond lengths. In the second Li site, Li is bonded in a 12-coordinate geometry to six equivalent Li, two equivalent Sm, and six equivalent Bi atoms. Both Li–Sm bond lengths are 3.70 Å. All Li–Bi bond lengths are 3.28 Å. Sm is bonded to two equivalent Li and six equivalent Bi atoms to form SmLi2Bi6 octahedra that share corners with two equivalent SmLi2Bi6 octahedra, corners with six equivalent LiLi3Bi4 tetrahedra, edges with six equivalent SmLi2Bi6 octahedra, edges with six equivalent LiLi3Bi4 tetrahedra, and faces with six equivalent LiLi3Bi4 tetrahedra. The corner-sharing octahedral tilt angles are 0°. All Sm–Bi bond lengths are 3.28 Å. Bi is bonded in a 10-coordinate geometry to seven Li and three equivalent Sm atoms.

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