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36 records · Page 2
All sourcesNASA NTRSDOE OSTI
DOE OSTI2020

Materials Data on Dy(MnGe)6 by Materials Project

DyMn6Ge6 crystallizes in the hexagonal P6/mmm space group. The structure is three-dimensional. Dy is bonded to eight Ge atoms to form distorted edge-sharing DyGe8 hexagonal bipyramids. There are two shorter (2.80 Å) and six longer (2.99 Å) Dy–Ge bond lengths. Mn is bonded in a 12-coordinate geometry to six Ge atoms. There are a spread of Mn–Ge bond distances ranging from 2.52–2.70 Å. There are three inequivalent Ge sites. In the first Ge site, Ge is bonded in a 8-coordinate geometry to one Dy, six equivalent Mn, and one Ge atom. The Ge–Ge bond length is 2.53 Å. In the second Ge site, Ge is bonded in a 9-coordinate geometry to three equivalent Dy and six equivalent Mn atoms. In the third Ge site, Ge is bonded in a 6-coordinate geometry to six equivalent Mn atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on Yb(MnGe)2 by Materials Project

YbMn2Ge2 crystallizes in the tetragonal I4/mmm space group. The structure is three-dimensional. Yb is bonded in a 8-coordinate geometry to eight equivalent Ge atoms. All Yb–Ge bond lengths are 3.11 Å. Mn is bonded to four equivalent Ge atoms to form a mixture of edge and corner-sharing MnGe4 tetrahedra. All Mn–Ge bond lengths are 2.43 Å. Ge is bonded in a 9-coordinate geometry to four equivalent Yb, four equivalent Mn, and one Ge atom. The Ge–Ge bond length is 2.65 Å.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on Gd(MnGe)2 by Materials Project

GdMn2Ge2 crystallizes in the tetragonal I4/mmm space group. The structure is three-dimensional. Gd is bonded in a 8-coordinate geometry to eight equivalent Ge atoms. All Gd–Ge bond lengths are 3.10 Å. Mn is bonded to four equivalent Ge atoms to form a mixture of edge and corner-sharing MnGe4 tetrahedra. All Mn–Ge bond lengths are 2.44 Å. Ge is bonded in a 9-coordinate geometry to four equivalent Gd, four equivalent Mn, and one Ge atom. The Ge–Ge bond length is 2.63 Å.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on Dy(MnGe)2 by Materials Project

DyMn2Ge2 crystallizes in the tetragonal I4/mmm space group. The structure is three-dimensional. Dy is bonded in a 8-coordinate geometry to eight equivalent Ge atoms. All Dy–Ge bond lengths are 3.07 Å. Mn is bonded to four equivalent Ge atoms to form a mixture of edge and corner-sharing MnGe4 tetrahedra. All Mn–Ge bond lengths are 2.43 Å. Ge is bonded in a 9-coordinate geometry to four equivalent Dy, four equivalent Mn, and one Ge atom. The Ge–Ge bond length is 2.59 Å.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on Ce(MnGe)2 by Materials Project

CeMn2Ge2 crystallizes in the tetragonal I4/mmm space group. The structure is three-dimensional. Ce is bonded in a 8-coordinate geometry to eight equivalent Mn and eight equivalent Ge atoms. All Ce–Mn bond lengths are 3.36 Å. All Ce–Ge bond lengths are 3.11 Å. Mn is bonded to four equivalent Ce and four equivalent Ge atoms to form a mixture of face, edge, and corner-sharing MnCe4Ge4 tetrahedra. All Mn–Ge bond lengths are 2.44 Å. Ge is bonded in a 9-coordinate geometry to four equivalent Ce, four equivalent Mn, and one Ge atom. The Ge–Ge bond length is 2.62 Å.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on Nd(MnGe)2 by Materials Project

NdMn2Ge2 crystallizes in the tetragonal I4/mmm space group. The structure is three-dimensional. Nd is bonded in a 8-coordinate geometry to eight equivalent Ge atoms. All Nd–Ge bond lengths are 3.15 Å. Mn is bonded to four equivalent Ge atoms to form a mixture of edge and corner-sharing MnGe4 tetrahedra. All Mn–Ge bond lengths are 2.45 Å. Ge is bonded in a 9-coordinate geometry to four equivalent Nd, four equivalent Mn, and one Ge atom. The Ge–Ge bond length is 2.72 Å.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on Tb(MnGe)6 by Materials Project

TbMn6Ge6 crystallizes in the hexagonal P6/mmm space group. The structure is three-dimensional. Tb is bonded to eight Ge atoms to form distorted edge-sharing TbGe8 hexagonal bipyramids. There are two shorter (2.81 Å) and six longer (3.00 Å) Tb–Ge bond lengths. Mn is bonded in a 12-coordinate geometry to six Ge atoms. There are a spread of Mn–Ge bond distances ranging from 2.53–2.71 Å. There are three inequivalent Ge sites. In the first Ge site, Ge is bonded in a 9-coordinate geometry to three equivalent Tb and six equivalent Mn atoms. In the second Ge site, Ge is bonded in a 6-coordinate geometry to six equivalent Mn atoms. In the third Ge site, Ge is bonded in a 8-coordinate geometry to one Tb, six equivalent Mn, and one Ge atom. The Ge–Ge bond length is 2.54 Å.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on Zr(MnGe)6 by Materials Project

ZrMn6Ge6 crystallizes in the hexagonal P6/mmm space group. The structure is three-dimensional. Zr is bonded to eight Ge atoms to form distorted edge-sharing ZrGe8 hexagonal bipyramids. There are two shorter (2.76 Å) and six longer (2.96 Å) Zr–Ge bond lengths. Mn is bonded in a 12-coordinate geometry to six Ge atoms. There are a spread of Mn–Ge bond distances ranging from 2.51–2.67 Å. There are three inequivalent Ge sites. In the first Ge site, Ge is bonded in a 8-coordinate geometry to one Zr, six equivalent Mn, and one Ge atom. The Ge–Ge bond length is 2.62 Å. In the second Ge site, Ge is bonded in a 12-coordinate geometry to three equivalent Zr and six equivalent Mn atoms. In the third Ge site, Ge is bonded in a 6-coordinate geometry to six equivalent Mn atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on Y(MnGe)6 by Materials Project

YMn6Ge6 crystallizes in the hexagonal P6/mmm space group. The structure is three-dimensional. Y is bonded to eight Ge atoms to form distorted edge-sharing YGe8 hexagonal bipyramids. There are two shorter (2.81 Å) and six longer (2.99 Å) Y–Ge bond lengths. Mn is bonded in a 12-coordinate geometry to six Ge atoms. There are a spread of Mn–Ge bond distances ranging from 2.52–2.70 Å. There are three inequivalent Ge sites. In the first Ge site, Ge is bonded in a 9-coordinate geometry to three equivalent Y and six equivalent Mn atoms. In the second Ge site, Ge is bonded in a 8-coordinate geometry to one Y, six equivalent Mn, and one Ge atom. The Ge–Ge bond length is 2.53 Å. In the third Ge site, Ge is bonded in a 6-coordinate geometry to six equivalent Mn atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on Ba(MnGe)2 by Materials Project

BaMn2Ge2 crystallizes in the tetragonal I4/mmm space group. The structure is three-dimensional. Ba is bonded in a distorted body-centered cubic geometry to eight equivalent Ge atoms. All Ba–Ge bond lengths are 3.53 Å. Mn is bonded to four equivalent Ge atoms to form a mixture of distorted edge and corner-sharing MnGe4 tetrahedra. All Mn–Ge bond lengths are 2.48 Å. Ge is bonded in a 4-coordinate geometry to four equivalent Ba and four equivalent Mn atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on Tb(MnGe)2 by Materials Project

TbMn2Ge2 crystallizes in the tetragonal I4/mmm space group. The structure is three-dimensional. Tb is bonded in a 8-coordinate geometry to eight equivalent Ge atoms. All Tb–Ge bond lengths are 3.08 Å. Mn is bonded to four equivalent Ge atoms to form a mixture of corner and edge-sharing MnGe4 tetrahedra. All Mn–Ge bond lengths are 2.43 Å. Ge is bonded in a 9-coordinate geometry to four equivalent Tb, four equivalent Mn, and one Ge atom. The Ge–Ge bond length is 2.60 Å.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on La(MnGe)2 by Materials Project

LaMn2Ge2 crystallizes in the tetragonal I4/mmm space group. The structure is three-dimensional. La is bonded in a 8-coordinate geometry to eight equivalent Ge atoms. All La–Ge bond lengths are 3.20 Å. Mn is bonded to four equivalent Ge atoms to form a mixture of edge and corner-sharing MnGe4 tetrahedra. All Mn–Ge bond lengths are 2.45 Å. Ge is bonded in a 9-coordinate geometry to four equivalent La, four equivalent Mn, and one Ge atom. The Ge–Ge bond length is 2.82 Å.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on Lu(MnGe)6 by Materials Project

LuMn6Ge6 crystallizes in the hexagonal P6/mmm space group. The structure is three-dimensional. Lu is bonded to eight Ge atoms to form distorted edge-sharing LuGe8 hexagonal bipyramids. There are two shorter (2.78 Å) and six longer (2.98 Å) Lu–Ge bond lengths. Mn is bonded in a 12-coordinate geometry to six Ge atoms. There are four shorter (2.52 Å) and two longer (2.69 Å) Mn–Ge bond lengths. There are three inequivalent Ge sites. In the first Ge site, Ge is bonded in a 8-coordinate geometry to one Lu, six equivalent Mn, and one Ge atom. The Ge–Ge bond length is 2.55 Å. In the second Ge site, Ge is bonded in a 9-coordinate geometry to three equivalent Lu and six equivalent Mn atoms. In the third Ge site, Ge is bonded in a 6-coordinate geometry to six equivalent Mn atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on Er(MnGe)6 by Materials Project

ErMn6Ge6 crystallizes in the hexagonal P6/mmm space group. The structure is three-dimensional. Er is bonded to eight Ge atoms to form distorted edge-sharing ErGe8 hexagonal bipyramids. There are two shorter (2.80 Å) and six longer (2.99 Å) Er–Ge bond lengths. Mn is bonded in a 12-coordinate geometry to six Ge atoms. There are a spread of Mn–Ge bond distances ranging from 2.52–2.69 Å. There are three inequivalent Ge sites. In the first Ge site, Ge is bonded in a 8-coordinate geometry to one Er, six equivalent Mn, and one Ge atom. The Ge–Ge bond length is 2.54 Å. In the second Ge site, Ge is bonded in a 9-coordinate geometry to three equivalent Er and six equivalent Mn atoms. In the third Ge site, Ge is bonded in a 6-coordinate geometry to six equivalent Mn atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on Er(MnGe)2 by Materials Project

ErMn2Ge2 crystallizes in the tetragonal I4/mmm space group. The structure is three-dimensional. Er is bonded in a 8-coordinate geometry to eight equivalent Ge atoms. All Er–Ge bond lengths are 3.05 Å. Mn is bonded to four equivalent Ge atoms to form a mixture of edge and corner-sharing MnGe4 tetrahedra. All Mn–Ge bond lengths are 2.43 Å. Ge is bonded in a 9-coordinate geometry to four equivalent Er, four equivalent Mn, and one Ge atom. The Ge–Ge bond length is 2.56 Å.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on Ho(MnGe)2 by Materials Project

HoMn2Ge2 crystallizes in the tetragonal I4/mmm space group. The structure is three-dimensional. Ho is bonded in a 8-coordinate geometry to eight equivalent Ge atoms. All Ho–Ge bond lengths are 3.06 Å. Mn is bonded to four equivalent Ge atoms to form a mixture of corner and edge-sharing MnGe4 tetrahedra. All Mn–Ge bond lengths are 2.43 Å. Ge is bonded in a 9-coordinate geometry to four equivalent Ho, four equivalent Mn, and one Ge atom. The Ge–Ge bond length is 2.57 Å.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on Eu(MnGe)2 by Materials Project

EuMn2Ge2 crystallizes in the tetragonal I4/mmm space group. The structure is three-dimensional. Eu is bonded in a 8-coordinate geometry to eight equivalent Mn and eight equivalent Ge atoms. All Eu–Mn bond lengths are 3.21 Å. All Eu–Ge bond lengths are 3.05 Å. Mn is bonded to four equivalent Eu and four equivalent Ge atoms to form a mixture of edge, face, and corner-sharing MnEu4Ge4 tetrahedra. All Mn–Ge bond lengths are 2.33 Å. Ge is bonded in a 9-coordinate geometry to four equivalent Eu, four equivalent Mn, and one Ge atom. The Ge–Ge bond length is 2.54 Å.

36 MATERIALS SCIENCE↗
DOE OSTI2021

Cubic to hexagonal tuning in Fe 2 Mn(Si 1– x Ge x ) Heusler alloys

Here, the competition between the stability of the cubic and hexagonal full Heusler alloys and the implications concerning their magnetic properties were systematically studied through the detailed structural and magnetic characterization of the Fe 2 Mn(Si 1– x Ge x ) system. This system was specifically chosen as the parent compositions are cubic ( x = 0) and hexagonal ( x = 1). It is found that the formation of hexagonal phases occurs for the x ≥ 0.6 samples, whereas its phase fraction monotonically increases with x until the pure hexagonal Fe 2 MnGe is formed. The change in structure results in high sensitiveness of both the saturation of magnetization ($M_S$) and Curie temperature ($T_C$) with x values, related to a strong magnetocrystalline anisotropy of the hexagonal phase. Both cubic and hexagonal magnetic features were qualitatively reproduced by Density Functional Theory (DFT) calculations. This work provides an experimental and theoretical foundation for further design of Heusler systems with controlled structures and magnetic properties.

36 MATERIALS SCIENCE↗