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DOE OSTI2020

Materials Data on LiEr2Tc by Materials Project

LiEr2Tc 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 Er atoms. All Li–Er bond lengths are 3.00 Å. Er is bonded in a body-centered cubic geometry to four equivalent Li and four equivalent Tc atoms. All Er–Tc bond lengths are 3.00 Å. Tc is bonded in a body-centered cubic geometry to eight equivalent Er atoms.

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DOE OSTI2020

Materials Data on Er2OsPd by Materials Project

Er2OsPd is Heusler structured and crystallizes in the cubic Fm-3m space group. The structure is three-dimensional. Er is bonded in a body-centered cubic geometry to four equivalent Os and four equivalent Pd atoms. All Er–Os bond lengths are 2.96 Å. All Er–Pd bond lengths are 2.96 Å. Os is bonded in a body-centered cubic geometry to eight equivalent Er atoms. Pd is bonded in a body-centered cubic geometry to eight equivalent Er atoms.

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Materials Data on Er2IrRu by Materials Project

Er2RuIr is Heusler structured and crystallizes in the cubic Fm-3m space group. The structure is three-dimensional. Er is bonded in a body-centered cubic geometry to four equivalent Ru and four equivalent Ir atoms. All Er–Ru bond lengths are 2.93 Å. All Er–Ir bond lengths are 2.93 Å. Ru is bonded in a body-centered cubic geometry to eight equivalent Er atoms. Ir is bonded in a body-centered cubic geometry to eight equivalent Er atoms.

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Materials Data on Er2NiOs by Materials Project

Er2OsNi is Heusler structured and crystallizes in the cubic Fm-3m space group. The structure is three-dimensional. Er is bonded in a body-centered cubic geometry to four equivalent Os and four equivalent Ni atoms. All Er–Os bond lengths are 2.91 Å. All Er–Ni bond lengths are 2.91 Å. Os is bonded in a body-centered cubic geometry to eight equivalent Er atoms. Ni is bonded in a body-centered cubic geometry to eight equivalent Er atoms.

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DOE OSTI2020

Materials Data on ErPPd by Materials Project

ErPdP crystallizes in the orthorhombic Pnma space group. The structure is three-dimensional. Er is bonded in a 11-coordinate geometry to six equivalent Pd and five equivalent P atoms. There are a spread of Er–Pd bond distances ranging from 3.00–3.27 Å. There are a spread of Er–P bond distances ranging from 2.82–2.90 Å. Pd is bonded to six equivalent Er, two equivalent Pd, and four equivalent P atoms to form a mixture of distorted corner, edge, and face-sharing PdEr6P4Pd2 cuboctahedra. Both Pd–Pd bond lengths are 3.00 Å. There are a spread of Pd–P bond distances ranging from 2.54–2.78 Å. P is bonded in a 9-coordinate geometry to five equivalent Er and four equivalent Pd atoms.

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Materials Data on ErCuGe by Materials Project

ErCuGe crystallizes in the hexagonal P6_3mc space group. The structure is three-dimensional. Er is bonded in a 12-coordinate geometry to six equivalent Cu and six equivalent Ge atoms. There are three shorter (2.88 Å) and three longer (3.19 Å) Er–Cu bond lengths. There are three shorter (2.92 Å) and three longer (3.15 Å) Er–Ge bond lengths. Cu is bonded in a 10-coordinate geometry to six equivalent Er and four equivalent Ge atoms. There are three shorter (2.50 Å) and one longer (3.09 Å) Cu–Ge bond lengths. Ge is bonded in a 10-coordinate geometry to six equivalent Er and four equivalent Cu atoms.

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Materials Data on LiEr2In by Materials Project

LiEr2In 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 Er atoms. All Li–Er bond lengths are 3.20 Å. Er is bonded in a body-centered cubic geometry to four equivalent Li and four equivalent In atoms. All Er–In bond lengths are 3.20 Å. In is bonded in a body-centered cubic geometry to eight equivalent Er atoms.

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DOE OSTI2020

Materials Data on LiEr2Tl by Materials Project

LiEr2Tl 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 Er atoms. All Li–Er bond lengths are 3.21 Å. Er is bonded in a body-centered cubic geometry to four equivalent Li and four equivalent Tl atoms. All Er–Tl bond lengths are 3.21 Å. Tl is bonded in a body-centered cubic geometry to eight equivalent Er atoms.

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DOE OSTI2020

Materials Data on LiEr2Ga by Materials Project

LiEr2Ga 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 Er atoms. All Li–Er bond lengths are 3.09 Å. Er is bonded in a body-centered cubic geometry to four equivalent Li and four equivalent Ga atoms. All Er–Ga bond lengths are 3.09 Å. Ga is bonded in a body-centered cubic geometry to eight equivalent Er atoms.

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DOE OSTI2020

Materials Data on Er2AgIr by Materials Project

Er2IrAg is Heusler structured and crystallizes in the cubic Fm-3m space group. The structure is three-dimensional. Er is bonded in a body-centered cubic geometry to four equivalent Ir and four equivalent Ag atoms. All Er–Ir bond lengths are 3.02 Å. All Er–Ag bond lengths are 3.02 Å. Ir is bonded in a body-centered cubic geometry to eight equivalent Er atoms. Ag is bonded in a body-centered cubic geometry to eight equivalent Er atoms.

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Materials Data on Er2ZnCu by Materials Project

Er2CuZn is Heusler structured and crystallizes in the cubic Fm-3m space group. The structure is three-dimensional. Er is bonded in a body-centered cubic geometry to four equivalent Cu and four equivalent Zn atoms. All Er–Cu bond lengths are 3.03 Å. All Er–Zn bond lengths are 3.03 Å. Cu is bonded in a body-centered cubic geometry to eight equivalent Er atoms. Zn is bonded in a body-centered cubic geometry to eight equivalent Er atoms.

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DOE OSTI2020

Materials Data on Ba3Er by Materials Project

Ba3Er is beta Cu3Ti-like structured and crystallizes in the tetragonal I4/mmm space group. The structure is three-dimensional. there are two inequivalent Ba sites. In the first Ba site, Ba is bonded to eight Ba and four equivalent Er atoms to form BaBa8Er4 cuboctahedra that share corners with twelve equivalent BaBa8Er4 cuboctahedra, edges with eight equivalent ErBa12 cuboctahedra, edges with sixteen BaBa8Er4 cuboctahedra, faces with four equivalent ErBa12 cuboctahedra, and faces with fourteen BaBa8Er4 cuboctahedra. There are four shorter (4.15 Å) and four longer (4.16 Å) Ba–Ba bond lengths. All Ba–Er bond lengths are 4.16 Å. In the second Ba site, Ba is bonded to eight equivalent Ba and four equivalent Er atoms to form BaBa8Er4 cuboctahedra that share corners with four equivalent BaBa8Er4 cuboctahedra, corners with eight equivalent ErBa12 cuboctahedra, edges with twenty-four BaBa8Er4 cuboctahedra, faces with six equivalent ErBa12 cuboctahedra, and faces with twelve BaBa8Er4 cuboctahedra. All Ba–Er bond lengths are 4.15 Å. Er is bonded to twelve Ba atoms to form ErBa12 cuboctahedra that share corners with four equivalent ErBa12 cuboctahedra, corners with eight equivalent BaBa8Er4 cuboctahedra, edges with eight equivalent ErBa12 cuboctahedra, edges with sixteen equivalent BaBa8Er4 cuboctahedra, faces with four equivalent ErBa12 cuboctahedra, and faces with fourteen BaBa8Er4 cuboctahedra.

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Materials Data on Er3AlN by Materials Project

Er3AlN is (Cubic) Perovskite structured and crystallizes in the cubic Pm-3m space group. The structure is three-dimensional. Er is bonded in a linear geometry to four equivalent Al and two equivalent N atoms. All Er–Al bond lengths are 3.33 Å. Both Er–N bond lengths are 2.36 Å. Al is bonded to twelve equivalent Er atoms to form AlEr12 cuboctahedra that share corners with twelve equivalent AlEr12 cuboctahedra, faces with six equivalent AlEr12 cuboctahedra, and faces with eight equivalent NEr6 octahedra. N is bonded to six equivalent Er atoms to form NEr6 octahedra that share corners with six equivalent NEr6 octahedra and faces with eight equivalent AlEr12 cuboctahedra. The corner-sharing octahedral tilt angles are 0°.

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Materials Data on ErZnGa by Materials Project

ErZnGa crystallizes in the hexagonal P6_3mc space group. The structure is three-dimensional. Er is bonded in a 12-coordinate geometry to six equivalent Zn and six equivalent Ga atoms. There are three shorter (2.96 Å) and three longer (3.25 Å) Er–Zn bond lengths. There are three shorter (2.98 Å) and three longer (3.23 Å) Er–Ga bond lengths. Zn is bonded in a 10-coordinate geometry to six equivalent Er and four equivalent Ga atoms. There are three shorter (2.59 Å) and one longer (3.06 Å) Zn–Ga bond lengths. Ga is bonded in a 10-coordinate geometry to six equivalent Er and four equivalent Zn atoms.

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Materials Data on ErZnIn by Materials Project

ErZnIn is hexagonal omega structure-derived structured and crystallizes in the hexagonal P6_3/mmc space group. The structure is three-dimensional. Er is bonded to six equivalent Zn and six equivalent In atoms to form a mixture of face and edge-sharing ErZn6In6 cuboctahedra. All Er–Zn bond lengths are 3.23 Å. All Er–In bond lengths are 3.23 Å. Zn is bonded in a 9-coordinate geometry to six equivalent Er and three equivalent In atoms. All Zn–In bond lengths are 2.69 Å. In is bonded in a 9-coordinate geometry to six equivalent Er and three equivalent Zn atoms.

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Materials Data on ErTlZn by Materials Project

ErZnTl is hexagonal omega structure-derived structured and crystallizes in the hexagonal P6_3/mmc space group. The structure is three-dimensional. Er is bonded to six equivalent Zn and six equivalent Tl atoms to form a mixture of edge and face-sharing ErTl6Zn6 cuboctahedra. All Er–Zn bond lengths are 3.25 Å. All Er–Tl bond lengths are 3.25 Å. Zn is bonded in a 9-coordinate geometry to six equivalent Er and three equivalent Tl atoms. All Zn–Tl bond lengths are 2.72 Å. Tl is bonded in a 9-coordinate geometry to six equivalent Er and three equivalent Zn atoms.

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DOE OSTI2020

Materials Data on ErZnGa by Materials Project

ErZnGa is hexagonal omega structure-derived structured and crystallizes in the hexagonal P6_3/mmc space group. The structure is three-dimensional. Er is bonded to six equivalent Zn and six equivalent Ga atoms to form a mixture of edge and face-sharing ErZn6Ga6 cuboctahedra. All Er–Zn bond lengths are 3.10 Å. All Er–Ga bond lengths are 3.10 Å. Zn is bonded in a 3-coordinate geometry to six equivalent Er and three equivalent Ga atoms. All Zn–Ga bond lengths are 2.54 Å. Ga is bonded in a 9-coordinate geometry to six equivalent Er and three equivalent Zn atoms.

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Materials Data on ErCuSn by Materials Project

ErCuSn is hexagonal omega structure-derived structured and crystallizes in the hexagonal P6_3/mmc space group. The structure is three-dimensional. Er is bonded to six equivalent Cu and six equivalent Sn atoms to form a mixture of face and edge-sharing ErCu6Sn6 cuboctahedra. All Er–Cu bond lengths are 3.18 Å. All Er–Sn bond lengths are 3.18 Å. Cu is bonded in a 9-coordinate geometry to six equivalent Er and three equivalent Sn atoms. All Cu–Sn bond lengths are 2.61 Å. Sn is bonded in a 9-coordinate geometry to six equivalent Er and three equivalent Cu atoms.

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