Engineering Papers⌕ Search

SEARCH · Engineering Papers

Results for “Ge”

Search indexed NASA NTRS and DOE OSTI research on propulsion, heat transfer, battery materials and energy systems. Follow report and document links to the original sources.

Quote a phrase for an exact phrase match. Source license links do not imply unrestricted reuse.

At least 775 records · Page 43
All sourcesNASA NTRSDOE OSTI
DOE OSTI2020

Materials Data on Li(NiGe)6 by Materials Project

Li(NiGe)6 crystallizes in the hexagonal P6/mmm space group. The structure is three-dimensional. there are two inequivalent Li sites. In the first Li site, Li is bonded to eight Ge atoms to form distorted edge-sharing LiGe8 hexagonal bipyramids. There are two shorter (2.65 Å) and six longer (2.88 Å) Li–Ge bond lengths. In the second Li site, Li is bonded in a hexagonal bipyramidal geometry to eight Ge atoms. There are two shorter (2.66 Å) and six longer (2.85 Å) Li–Ge bond lengths. There are two inequivalent Ni sites. In the first Ni site, Ni is bonded in a 12-coordinate geometry to two equivalent Ni and six Ge atoms. Both Ni–Ni bond lengths are 2.53 Å. There are a spread of Ni–Ge bond distances ranging from 2.43–2.63 Å. In the second Ni site, Ni is bonded in a 10-coordinate geometry to four equivalent Ni and six Ge atoms. There are a spread of Ni–Ge bond distances ranging from 2.42–2.60 Å. There are four inequivalent Ge sites. In the first Ge site, Ge is bonded in a 1-coordinate geometry to one Li, six Ni, and one Ge atom. The Ge–Ge bond length is 2.54 Å. In the second Ge site, Ge is bonded in a 1-coordinate geometry to one Li, six equivalent Ni, and one Ge atom. The Ge–Ge bond length is 2.52 Å. In the third Ge site, Ge is bonded in a 8-coordinate geometry to two equivalent Li and six Ni atoms. In the fourth Ge site, Ge is bonded in a 7-coordinate geometry to one Li and six Ni atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on CeGePd by Materials Project

CePdGe crystallizes in the orthorhombic Pnma space group. The structure is three-dimensional. there are three inequivalent Ce sites. In the first Ce site, Ce is bonded in a 12-coordinate geometry to six Pd and six Ge atoms. There are a spread of Ce–Pd bond distances ranging from 3.06–3.19 Å. There are a spread of Ce–Ge bond distances ranging from 3.18–3.26 Å. In the second Ce site, Ce is bonded in a 12-coordinate geometry to six Pd and six Ge atoms. There are a spread of Ce–Pd bond distances ranging from 3.20–3.26 Å. There are a spread of Ce–Ge bond distances ranging from 3.07–3.17 Å. In the third Ce site, Ce is bonded in a 12-coordinate geometry to six Pd and six Ge atoms. There are a spread of Ce–Pd bond distances ranging from 3.03–3.23 Å. There are a spread of Ce–Ge bond distances ranging from 3.13–3.28 Å. There are three inequivalent Pd sites. In the first Pd site, Pd is bonded in a 10-coordinate geometry to six Ce and four Ge atoms. There are a spread of Pd–Ge bond distances ranging from 2.62–3.03 Å. In the second Pd site, Pd is bonded in a 10-coordinate geometry to six Ce, one Pd, and three Ge atoms. The Pd–Pd bond length is 3.17 Å. All Pd–Ge bond lengths are 2.59 Å. In the third Pd site, Pd is bonded in a 10-coordinate geometry to six Ce, one Pd, and three equivalent Ge atoms. There are two shorter (2.60 Å) and one longer (2.62 Å) Pd–Ge bond lengths. There are three inequivalent Ge sites. In the first Ge site, Ge is bonded in a 10-coordinate geometry to six Ce, three Pd, and one Ge atom. The Ge–Ge bond length is 2.85 Å. In the second Ge site, Ge is bonded in a 10-coordinate geometry to six Ce, three equivalent Pd, and one Ge atom. In the third Ge site, Ge is bonded in a 10-coordinate geometry to six Ce and four Pd atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on CaGeAu by Materials Project

CaAuGe crystallizes in the orthorhombic Pnma space group. The structure is three-dimensional. there are three inequivalent Ca sites. In the first Ca site, Ca is bonded in a 12-coordinate geometry to six Au and six Ge atoms. There are a spread of Ca–Au bond distances ranging from 3.11–3.25 Å. There are a spread of Ca–Ge bond distances ranging from 3.13–3.36 Å. In the second Ca site, Ca is bonded in a 12-coordinate geometry to six Au and six Ge atoms. There are a spread of Ca–Au bond distances ranging from 3.23–3.36 Å. There are a spread of Ca–Ge bond distances ranging from 3.10–3.24 Å. In the third Ca site, Ca is bonded in a 12-coordinate geometry to six Au and six Ge atoms. There are a spread of Ca–Au bond distances ranging from 3.10–3.22 Å. There are a spread of Ca–Ge bond distances ranging from 3.24–3.36 Å. There are three inequivalent Au sites. In the first Au site, Au is bonded in a 10-coordinate geometry to six Ca and four Ge atoms. There are a spread of Au–Ge bond distances ranging from 2.66–2.97 Å. In the second Au site, Au is bonded in a 10-coordinate geometry to six Ca, one Au, and three equivalent Ge atoms. The Au–Au bond length is 3.14 Å. There are two shorter (2.65 Å) and one longer (2.68 Å) Au–Ge bond lengths. In the third Au site, Au is bonded in a 10-coordinate geometry to six Ca, one Au, and three Ge atoms. There are one shorter (2.62 Å) and two longer (2.65 Å) Au–Ge bond lengths. There are three inequivalent Ge sites. In the first Ge site, Ge is bonded in a 10-coordinate geometry to six Ca, three Au, and one Ge atom. The Ge–Ge bond length is 2.73 Å. In the second Ge site, Ge is bonded in a 10-coordinate geometry to six Ca, three equivalent Au, and one Ge atom. In the third Ge site, Ge is bonded in a 10-coordinate geometry to six Ca and four Au atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on CaCuGe by Materials Project

CaCuGe crystallizes in the orthorhombic Pnma space group. The structure is three-dimensional. there are three inequivalent Ca sites. In the first Ca site, Ca is bonded in a 12-coordinate geometry to six Cu and six Ge atoms. There are a spread of Ca–Cu bond distances ranging from 2.98–3.19 Å. There are a spread of Ca–Ge bond distances ranging from 3.03–3.21 Å. In the second Ca site, Ca is bonded in a 12-coordinate geometry to six Cu and six Ge atoms. There are a spread of Ca–Cu bond distances ranging from 3.17–3.24 Å. There are a spread of Ca–Ge bond distances ranging from 3.01–3.09 Å. In the third Ca site, Ca is bonded in a 12-coordinate geometry to six Cu and six Ge atoms. There are a spread of Ca–Cu bond distances ranging from 3.04–3.08 Å. There are a spread of Ca–Ge bond distances ranging from 3.13–3.23 Å. There are three inequivalent Cu sites. In the first Cu site, Cu is bonded in a 10-coordinate geometry to six Ca, one Cu, and three Ge atoms. The Cu–Cu bond length is 2.94 Å. There are one shorter (2.51 Å) and two longer (2.53 Å) Cu–Ge bond lengths. In the second Cu site, Cu is bonded in a 10-coordinate geometry to six Ca, one Cu, and three equivalent Ge atoms. There are two shorter (2.53 Å) and one longer (2.59 Å) Cu–Ge bond lengths. In the third Cu site, Cu is bonded in a 10-coordinate geometry to six Ca and four Ge atoms. There are a spread of Cu–Ge bond distances ranging from 2.54–2.83 Å. There are three inequivalent Ge sites. In the first Ge site, Ge is bonded in a 10-coordinate geometry to six Ca, three Cu, and one Ge atom. The Ge–Ge bond length is 2.76 Å. In the second Ge site, Ge is bonded in a 10-coordinate geometry to six Ca and four Cu atoms. In the third Ge site, Ge is bonded in a 10-coordinate geometry to six Ca, three equivalent Cu, and one Ge atom.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on Ga3Ni13Ge6 by Materials Project

Ga3Ge6Ni13 crystallizes in the trigonal P3_121 space group. The structure is three-dimensional. there are eight inequivalent Ni sites. In the first Ni site, Ni is bonded in a 11-coordinate geometry to five Ni, one Ga, and five Ge atoms. There are a spread of Ni–Ni bond distances ranging from 2.54–2.68 Å. The Ni–Ga bond length is 2.51 Å. There are a spread of Ni–Ge bond distances ranging from 2.39–2.64 Å. In the second Ni site, Ni is bonded to six Ni, two equivalent Ga, and four Ge atoms to form a mixture of distorted edge, corner, and face-sharing NiGa2Ni6Ge4 cuboctahedra. There are two shorter (2.52 Å) and two longer (2.66 Å) Ni–Ni bond lengths. Both Ni–Ga bond lengths are 2.49 Å. There are two shorter (2.43 Å) and two longer (2.54 Å) Ni–Ge bond lengths. In the third Ni site, Ni is bonded in a 11-coordinate geometry to five Ni, three Ga, and three Ge atoms. There are a spread of Ni–Ni bond distances ranging from 2.56–2.65 Å. There are a spread of Ni–Ga bond distances ranging from 2.48–2.59 Å. There are a spread of Ni–Ge bond distances ranging from 2.34–2.47 Å. In the fourth Ni site, Ni is bonded to six Ni, two equivalent Ga, and four Ge atoms to form a mixture of distorted edge, corner, and face-sharing NiGa2Ni6Ge4 cuboctahedra. There are two shorter (2.52 Å) and two longer (2.69 Å) Ni–Ni bond lengths. Both Ni–Ga bond lengths are 2.49 Å. There are two shorter (2.44 Å) and two longer (2.54 Å) Ni–Ge bond lengths. In the fifth Ni site, Ni is bonded to six Ni, two equivalent Ga, and four Ge atoms to form a mixture of distorted edge, corner, and face-sharing NiGa2Ni6Ge4 cuboctahedra. Both Ni–Ga bond lengths are 2.50 Å. There are two shorter (2.51 Å) and two longer (2.62 Å) Ni–Ge bond lengths. In the sixth Ni site, Ni is bonded in a 4-coordinate geometry to six Ni, two Ga, and five Ge atoms. There are a spread of Ni–Ni bond distances ranging from 2.54–2.65 Å. There are one shorter (2.50 Å) and one longer (2.94 Å) Ni–Ga bond lengths. There are a spread of Ni–Ge bond distances ranging from 2.45–2.86 Å. In the seventh Ni site, Ni is bonded to six Ni, one Ga, and five Ge atoms to form a mixture of distorted edge, corner, and face-sharing NiGaNi6Ge5 cuboctahedra. There are one shorter (2.61 Å) and one longer (2.62 Å) Ni–Ni bond lengths. The Ni–Ga bond length is 2.52 Å. There are a spread of Ni–Ge bond distances ranging from 2.49–2.65 Å. In the eighth Ni site, Ni is bonded in a 6-coordinate geometry to five Ni, two Ga, and four Ge atoms. There are one shorter (2.48 Å) and one longer (2.50 Å) Ni–Ga bond lengths. There are a spread of Ni–Ge bond distances ranging from 2.37–2.59 Å. There are two inequivalent Ga sites. In the first Ga site, Ga is bonded in a 8-coordinate geometry to eight Ni atoms. In the second Ga site, Ga is bonded in a 7-coordinate geometry to eight Ni atoms. There are three inequivalent Ge sites. In the first Ge site, Ge is bonded in a 8-coordinate geometry to nine Ni atoms. In the second Ge site, Ge is bonded in a 10-coordinate geometry to ten Ni atoms. In the third Ge site, Ge is bonded in a 8-coordinate geometry to nine Ni atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on YbGeAu by Materials Project

YbAuGe crystallizes in the orthorhombic Pnma space group. The structure is three-dimensional. there are three inequivalent Yb sites. In the first Yb site, Yb is bonded in a 12-coordinate geometry to six Au and six Ge atoms. There are a spread of Yb–Au bond distances ranging from 3.18–3.32 Å. There are a spread of Yb–Ge bond distances ranging from 3.07–3.21 Å. In the second Yb site, Yb is bonded in a 12-coordinate geometry to six Au and six Ge atoms. There are a spread of Yb–Au bond distances ranging from 3.06–3.20 Å. There are a spread of Yb–Ge bond distances ranging from 3.11–3.31 Å. In the third Yb site, Yb is bonded in a 12-coordinate geometry to six Au and six Ge atoms. There are a spread of Yb–Au bond distances ranging from 3.06–3.20 Å. There are a spread of Yb–Ge bond distances ranging from 3.18–3.32 Å. There are three inequivalent Au sites. In the first Au site, Au is bonded in a 10-coordinate geometry to six Yb, one Au, and three Ge atoms. The Au–Au bond length is 3.15 Å. There are one shorter (2.60 Å) and two longer (2.63 Å) Au–Ge bond lengths. In the second Au site, Au is bonded in a 10-coordinate geometry to six Yb and four Ge atoms. There are a spread of Au–Ge bond distances ranging from 2.64–2.95 Å. In the third Au site, Au is bonded in a 10-coordinate geometry to six Yb, one Au, and three equivalent Ge atoms. There are two shorter (2.63 Å) and one longer (2.65 Å) Au–Ge bond lengths. There are three inequivalent Ge sites. In the first Ge site, Ge is bonded in a 10-coordinate geometry to six Yb, three Au, and one Ge atom. The Ge–Ge bond length is 2.70 Å. In the second Ge site, Ge is bonded in a 10-coordinate geometry to six Yb, three equivalent Au, and one Ge atom. In the third Ge site, Ge is bonded in a 10-coordinate geometry to six Yb and four Au atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on Li(FeGe)6 by Materials Project

Li(FeGe)6 crystallizes in the hexagonal P6/mmm space group. The structure is three-dimensional. there are two inequivalent Li sites. In the first Li site, Li is bonded to twelve equivalent Fe and eight Ge atoms to form distorted corner-sharing LiFe12Ge8 hexagonal bipyramids. All Li–Fe bond lengths are 3.22 Å. There are two shorter (2.70 Å) and six longer (2.86 Å) Li–Ge bond lengths. In the second Li site, Li is bonded to twelve Fe and eight Ge atoms to form a mixture of distorted corner and face-sharing LiFe12Ge8 hexagonal bipyramids. There are six shorter (3.20 Å) and six longer (3.22 Å) Li–Fe bond lengths. There are two shorter (2.69 Å) and six longer (2.88 Å) Li–Ge bond lengths. There are two inequivalent Fe sites. In the first Fe site, Fe is bonded in a 12-coordinate geometry to two Li, four Fe, and six Ge atoms. All Fe–Fe bond lengths are 2.51 Å. There are four shorter (2.47 Å) and two longer (2.61 Å) Fe–Ge bond lengths. In the second Fe site, Fe is bonded in a 12-coordinate geometry to two equivalent Li, four equivalent Fe, and six Ge atoms. There are a spread of Fe–Ge bond distances ranging from 2.46–2.60 Å. There are four inequivalent Ge sites. In the first Ge site, Ge is bonded in a 8-coordinate geometry to one Li, six Fe, and one Ge atom. The Ge–Ge bond length is 2.61 Å. In the second Ge site, Ge is bonded in a 7-coordinate geometry to one Li and six Fe atoms. In the third Ge site, Ge is bonded in a 8-coordinate geometry to two equivalent Li and six Fe atoms. In the fourth Ge site, Ge is bonded in a 8-coordinate geometry to one Li, six equivalent Fe, and one Ge atom. The Ge–Ge bond length is 2.59 Å.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on Mn5Ge2 by Materials Project

Mn5Ge2 crystallizes in the trigonal P3c1 space group. The structure is three-dimensional. there are seven inequivalent Mn sites. In the first Mn site, Mn is bonded in a 4-coordinate geometry to four Mn and four Ge atoms. There are a spread of Mn–Mn bond distances ranging from 2.60–2.65 Å. There are a spread of Mn–Ge bond distances ranging from 2.41–2.45 Å. In the second Mn site, Mn is bonded in a 4-coordinate geometry to one Mn and four Ge atoms. The Mn–Mn bond length is 2.60 Å. There are a spread of Mn–Ge bond distances ranging from 2.47–2.56 Å. In the third Mn site, Mn is bonded in a 4-coordinate geometry to six Mn and four Ge atoms. All Mn–Mn bond lengths are 2.51 Å. There are three shorter (2.49 Å) and one longer (2.68 Å) Mn–Ge bond lengths. In the fourth Mn site, Mn is bonded in a 3-coordinate geometry to one Mn and four Ge atoms. The Mn–Mn bond length is 2.52 Å. There are a spread of Mn–Ge bond distances ranging from 2.52–2.86 Å. In the fifth Mn site, Mn is bonded in a 1-coordinate geometry to six Mn and five Ge atoms. There are a spread of Mn–Ge bond distances ranging from 2.49–2.70 Å. In the sixth Mn site, Mn is bonded in a 4-coordinate geometry to four Ge atoms. There are three shorter (2.52 Å) and one longer (2.64 Å) Mn–Ge bond lengths. In the seventh Mn site, Mn is bonded in a 4-coordinate geometry to four Ge atoms. There are three shorter (2.52 Å) and one longer (2.64 Å) Mn–Ge bond lengths. There are four inequivalent Ge sites. In the first Ge site, Ge is bonded in a 10-coordinate geometry to ten Mn atoms. In the second Ge site, Ge is bonded in a 11-coordinate geometry to eleven Mn atoms. In the third Ge site, Ge is bonded in a 10-coordinate geometry to ten Mn atoms. In the fourth Ge site, Ge is bonded in a 10-coordinate geometry to ten Mn atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on CaAgGe by Materials Project

CaAgGe crystallizes in the orthorhombic Pnma space group. The structure is three-dimensional. there are three inequivalent Ca sites. In the first Ca site, Ca is bonded in a 12-coordinate geometry to six Ag and six Ge atoms. There are a spread of Ca–Ag bond distances ranging from 3.13–3.29 Å. There are a spread of Ca–Ge bond distances ranging from 3.17–3.39 Å. In the second Ca site, Ca is bonded in a 12-coordinate geometry to six Ag and six Ge atoms. There are a spread of Ca–Ag bond distances ranging from 3.27–3.38 Å. There are a spread of Ca–Ge bond distances ranging from 3.13–3.25 Å. In the third Ca site, Ca is bonded in a 12-coordinate geometry to six Ag and six Ge atoms. There are a spread of Ca–Ag bond distances ranging from 3.14–3.25 Å. There are a spread of Ca–Ge bond distances ranging from 3.23–3.40 Å. There are three inequivalent Ag sites. In the first Ag site, Ag is bonded in a 10-coordinate geometry to six Ca, one Ag, and three equivalent Ge atoms. The Ag–Ag bond length is 3.06 Å. There are two shorter (2.68 Å) and one longer (2.73 Å) Ag–Ge bond lengths. In the second Ag site, Ag is bonded in a 10-coordinate geometry to six Ca, one Ag, and three Ge atoms. There are one shorter (2.65 Å) and two longer (2.67 Å) Ag–Ge bond lengths. In the third Ag site, Ag is bonded in a 10-coordinate geometry to six Ca and four Ge atoms. There are a spread of Ag–Ge bond distances ranging from 2.70–2.99 Å. There are three inequivalent Ge sites. In the first Ge site, Ge is bonded in a 10-coordinate geometry to six Ca and four Ag atoms. In the second Ge site, Ge is bonded in a 10-coordinate geometry to six Ca, three equivalent Ag, and one Ge atom. The Ge–Ge bond length is 2.72 Å. In the third Ge site, Ge is bonded in a 10-coordinate geometry to six Ca, three Ag, and one Ge atom.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on ThGeSe by Materials Project

ThGeSe crystallizes in the tetragonal I4/mmm space group. The structure is three-dimensional. there are three inequivalent Th sites. In the first Th site, Th is bonded in a 9-coordinate geometry to four Ge and five Se atoms. All Th–Ge bond lengths are 3.10 Å. There are four shorter (3.03 Å) and one longer (3.15 Å) Th–Se bond lengths. In the second Th site, Th is bonded in a 9-coordinate geometry to four Ge and five Se atoms. All Th–Ge bond lengths are 3.10 Å. There are four shorter (3.03 Å) and one longer (3.15 Å) Th–Se bond lengths. In the third Th site, Th is bonded in a 9-coordinate geometry to four Ge and five Se atoms. All Th–Ge bond lengths are 3.10 Å. There are four shorter (3.03 Å) and one longer (3.15 Å) Th–Se bond lengths. There are four inequivalent Ge sites. In the first Ge site, Ge is bonded in a distorted body-centered cubic geometry to four Th and four equivalent Ge atoms. All Ge–Ge bond lengths are 2.88 Å. In the second Ge site, Ge is bonded in a distorted body-centered cubic geometry to four Th and four equivalent Ge atoms. In the third Ge site, Ge is bonded in a distorted body-centered cubic geometry to four equivalent Th and four equivalent Ge atoms. All Ge–Ge bond lengths are 2.88 Å. In the fourth Ge site, Ge is bonded in a distorted body-centered cubic geometry to four equivalent Th and four equivalent Ge atoms. There are four inequivalent Se sites. In the first Se site, Se is bonded to five Th atoms to form a mixture of distorted corner and edge-sharing SeTh5 trigonal bipyramids. In the second Se site, Se is bonded to five Th atoms to form a mixture of distorted corner and edge-sharing SeTh5 trigonal bipyramids. In the third Se site, Se is bonded to five Th atoms to form a mixture of distorted corner and edge-sharing SeTh5 trigonal bipyramids. All Se–Th bond lengths are 3.03 Å. In the fourth Se site, Se is bonded to five Th atoms to form a mixture of distorted corner and edge-sharing SeTh5 trigonal bipyramids. The Se–Th bond length is 3.15 Å.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on Sm4Ge7 by Materials Project

Sm4Ge7 crystallizes in the orthorhombic C222_1 space group. The structure is three-dimensional. there are three inequivalent Sm sites. In the first Sm site, Sm is bonded in a 9-coordinate geometry to nine Ge atoms. There are a spread of Sm–Ge bond distances ranging from 3.04–3.32 Å. In the second Sm site, Sm is bonded in a 10-coordinate geometry to ten Ge atoms. There are a spread of Sm–Ge bond distances ranging from 3.06–3.33 Å. In the third Sm site, Sm is bonded in a 10-coordinate geometry to ten Ge atoms. There are a spread of Sm–Ge bond distances ranging from 3.04–3.26 Å. There are four inequivalent Ge sites. In the first Ge site, Ge is bonded in a 9-coordinate geometry to six Sm and three Ge atoms. There are a spread of Ge–Ge bond distances ranging from 2.49–2.72 Å. In the second Ge site, Ge is bonded in a 9-coordinate geometry to six Sm and three Ge atoms. Both Ge–Ge bond lengths are 2.59 Å. In the third Ge site, Ge is bonded in a 4-coordinate geometry to four Sm and two Ge atoms. In the fourth Ge site, Ge is bonded in a 8-coordinate geometry to six Sm and two equivalent Ge atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on CaCuGe by Materials Project

CaCuGe crystallizes in the orthorhombic Pna2_1 space group. The structure is three-dimensional. there are three inequivalent Ca sites. In the first Ca site, Ca is bonded in a 12-coordinate geometry to six Cu and six Ge atoms. There are a spread of Ca–Cu bond distances ranging from 2.95–3.23 Å. There are a spread of Ca–Ge bond distances ranging from 3.00–3.25 Å. In the second Ca site, Ca is bonded in a 12-coordinate geometry to six Cu and six Ge atoms. There are a spread of Ca–Cu bond distances ranging from 3.14–3.27 Å. There are a spread of Ca–Ge bond distances ranging from 3.00–3.11 Å. In the third Ca site, Ca is bonded in a 12-coordinate geometry to six Cu and six Ge atoms. There are a spread of Ca–Cu bond distances ranging from 3.04–3.11 Å. There are a spread of Ca–Ge bond distances ranging from 3.12–3.27 Å. There are three inequivalent Cu sites. In the first Cu site, Cu is bonded in a 10-coordinate geometry to six Ca, one Cu, and three Ge atoms. The Cu–Cu bond length is 2.97 Å. There are two shorter (2.51 Å) and one longer (2.54 Å) Cu–Ge bond lengths. In the second Cu site, Cu is bonded in a 10-coordinate geometry to six Ca, one Cu, and three equivalent Ge atoms. There are two shorter (2.52 Å) and one longer (2.61 Å) Cu–Ge bond lengths. In the third Cu site, Cu is bonded in a 10-coordinate geometry to six Ca and four Ge atoms. There are a spread of Cu–Ge bond distances ranging from 2.53–2.85 Å. There are three inequivalent Ge sites. In the first Ge site, Ge is bonded in a 10-coordinate geometry to six Ca, three Cu, and one Ge atom. The Ge–Ge bond length is 2.74 Å. In the second Ge site, Ge is bonded in a 10-coordinate geometry to six Ca, three equivalent Cu, and one Ge atom. In the third Ge site, Ge is bonded in a 10-coordinate geometry to six Ca and four Cu atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on EuCuGe by Materials Project

EuCuGe crystallizes in the orthorhombic Pna2_1 space group. The structure is three-dimensional. there are three inequivalent Eu sites. In the first Eu site, Eu is bonded in a 12-coordinate geometry to six Cu and six Ge atoms. There are a spread of Eu–Cu bond distances ranging from 3.08–3.33 Å. There are a spread of Eu–Ge bond distances ranging from 3.13–3.35 Å. In the second Eu site, Eu is bonded in a 12-coordinate geometry to six Cu and six Ge atoms. There are a spread of Eu–Cu bond distances ranging from 3.27–3.36 Å. There are a spread of Eu–Ge bond distances ranging from 3.10–3.22 Å. In the third Eu site, Eu is bonded in a 12-coordinate geometry to six Cu and six Ge atoms. There are a spread of Eu–Cu bond distances ranging from 3.13–3.18 Å. There are a spread of Eu–Ge bond distances ranging from 3.20–3.38 Å. There are three inequivalent Cu sites. In the first Cu site, Cu is bonded in a 10-coordinate geometry to six Eu, one Cu, and three Ge atoms. The Cu–Cu bond length is 3.11 Å. There are a spread of Cu–Ge bond distances ranging from 2.56–2.60 Å. In the second Cu site, Cu is bonded in a 10-coordinate geometry to six Eu, one Cu, and three equivalent Ge atoms. There are a spread of Cu–Ge bond distances ranging from 2.59–2.65 Å. In the third Cu site, Cu is bonded in a 10-coordinate geometry to six Eu and four Ge atoms. There are a spread of Cu–Ge bond distances ranging from 2.61–2.99 Å. There are three inequivalent Ge sites. In the first Ge site, Ge is bonded in a 10-coordinate geometry to six Eu, three Cu, and one Ge atom. The Ge–Ge bond length is 2.85 Å. In the second Ge site, Ge is bonded in a 10-coordinate geometry to six Eu, three equivalent Cu, and one Ge atom. In the third Ge site, Ge is bonded in a 10-coordinate geometry to six Eu and four Cu atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on Mn3(Co2Ge3)2 by Materials Project

Mn3(Co2Ge3)2 crystallizes in the orthorhombic Cmm2 space group. The structure is three-dimensional. there are two inequivalent Mn sites. In the first Mn site, Mn is bonded to eight Ge atoms to form distorted edge-sharing MnGe8 hexagonal bipyramids. There are a spread of Mn–Ge bond distances ranging from 2.60–2.93 Å. In the second Mn site, Mn is bonded in a 10-coordinate geometry to two equivalent Co and six Ge atoms. Both Mn–Co bond lengths are 2.53 Å. There are a spread of Mn–Ge bond distances ranging from 2.49–2.61 Å. There are three inequivalent Co sites. In the first Co site, Co is bonded in a 12-coordinate geometry to four equivalent Mn and six Ge atoms. There are a spread of Co–Ge bond distances ranging from 2.48–2.63 Å. In the second Co site, Co is bonded in a 12-coordinate geometry to six Ge atoms. There are four shorter (2.41 Å) and two longer (2.61 Å) Co–Ge bond lengths. In the third Co site, Co is bonded in a 12-coordinate geometry to six Ge atoms. There are four shorter (2.39 Å) and two longer (2.62 Å) Co–Ge bond lengths. There are four inequivalent Ge sites. In the first Ge site, Ge is bonded in a 12-coordinate geometry to five Mn and four Co atoms. In the second Ge site, Ge is bonded in a 8-coordinate geometry to five Mn, two equivalent Co, and one Ge atom. The Ge–Ge bond length is 2.64 Å. In the third Ge site, Ge is bonded in a 8-coordinate geometry to one Mn, six Co, and one Ge atom. In the fourth Ge site, Ge is bonded in a 6-coordinate geometry to two equivalent Mn and four Co atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on SmGePd by Materials Project

SmPdGe crystallizes in the orthorhombic Pnma space group. The structure is three-dimensional. there are three inequivalent Sm sites. In the first Sm site, Sm is bonded in a 12-coordinate geometry to six Pd and six Ge atoms. There are a spread of Sm–Pd bond distances ranging from 3.05–3.18 Å. There are a spread of Sm–Ge bond distances ranging from 3.17–3.30 Å. In the second Sm site, Sm is bonded in a 12-coordinate geometry to six Pd and six Ge atoms. There are a spread of Sm–Pd bond distances ranging from 3.21–3.28 Å. There are a spread of Sm–Ge bond distances ranging from 3.05–3.17 Å. In the third Sm site, Sm is bonded in a 12-coordinate geometry to six Pd and six Ge atoms. There are a spread of Sm–Pd bond distances ranging from 3.01–3.20 Å. There are a spread of Sm–Ge bond distances ranging from 3.12–3.27 Å. There are three inequivalent Pd sites. In the first Pd site, Pd is bonded in a 10-coordinate geometry to six Sm, one Pd, and three Ge atoms. The Pd–Pd bond length is 3.10 Å. There are one shorter (2.58 Å) and two longer (2.60 Å) Pd–Ge bond lengths. In the second Pd site, Pd is bonded in a 10-coordinate geometry to six Sm, one Pd, and three equivalent Ge atoms. There are two shorter (2.59 Å) and one longer (2.64 Å) Pd–Ge bond lengths. In the third Pd site, Pd is bonded in a 10-coordinate geometry to six Sm and four Ge atoms. There are a spread of Pd–Ge bond distances ranging from 2.60–2.94 Å. There are three inequivalent Ge sites. In the first Ge site, Ge is bonded in a 10-coordinate geometry to six Sm and four Pd atoms. In the second Ge site, Ge is bonded in a 10-coordinate geometry to six Sm, three equivalent Pd, and one Ge atom. The Ge–Ge bond length is 2.77 Å. In the third Ge site, Ge is bonded in a 10-coordinate geometry to six Sm, three Pd, and one Ge atom.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on Mn4Co11Ge5 by Materials Project

Mn4Co11Ge5 is Heusler-like structured and crystallizes in the trigonal R-3m space group. The structure is three-dimensional. there are two inequivalent Mn sites. In the first Mn site, Mn is bonded in a distorted body-centered cubic geometry to eight Co and three equivalent Ge atoms. All Mn–Co bond lengths are 2.48 Å. All Mn–Ge bond lengths are 2.87 Å. In the second Mn site, Mn is bonded in a distorted body-centered cubic geometry to eight Co and six Ge atoms. There are one shorter (2.47 Å) and seven longer (2.48 Å) Mn–Co bond lengths. There are three shorter (2.86 Å) and three longer (2.87 Å) Mn–Ge bond lengths. There are six inequivalent Co sites. In the first Co site, Co is bonded in a body-centered cubic geometry to four Mn and four Ge atoms. There are three shorter (2.48 Å) and one longer (2.49 Å) Co–Ge bond lengths. In the second Co site, Co is bonded in a body-centered cubic geometry to four Mn and four Ge atoms. All Co–Ge bond lengths are 2.48 Å. In the third Co site, Co is bonded in a body-centered cubic geometry to four equivalent Mn and four Ge atoms. All Co–Ge bond lengths are 2.48 Å. In the fourth Co site, Co is bonded in a 8-coordinate geometry to one Mn, three equivalent Co, and four equivalent Ge atoms. All Co–Co bond lengths are 2.48 Å. There are one shorter (2.46 Å) and three longer (2.48 Å) Co–Ge bond lengths. In the fifth Co site, Co is bonded in a distorted body-centered cubic geometry to three equivalent Mn, one Co, and four Ge atoms. The Co–Co bond length is 2.47 Å. All Co–Ge bond lengths are 2.48 Å. In the sixth Co site, Co is bonded in a 8-coordinate geometry to eight Co and six equivalent Ge atoms. All Co–Ge bond lengths are 2.86 Å. There are three inequivalent Ge sites. In the first Ge site, Ge is bonded in a distorted body-centered cubic geometry to six Mn and eight Co atoms. In the second Ge site, Ge is bonded in a distorted body-centered cubic geometry to six equivalent Mn and eight Co atoms. In the third Ge site, Ge is bonded in a distorted body-centered cubic geometry to eleven Co atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on Ce11(Ni2Ge3)2 by Materials Project

Ce11(Ni2Ge3)2 crystallizes in the monoclinic C2/m space group. The structure is three-dimensional. there are six inequivalent Ce sites. In the first Ce site, Ce is bonded in a 6-coordinate geometry to one Ni and five Ge atoms. The Ce–Ni bond length is 2.89 Å. There are a spread of Ce–Ge bond distances ranging from 3.05–3.21 Å. In the second Ce site, Ce is bonded in a 8-coordinate geometry to four equivalent Ni and four Ge atoms. There are two shorter (2.94 Å) and two longer (3.02 Å) Ce–Ni bond lengths. There are a spread of Ce–Ge bond distances ranging from 3.05–3.30 Å. In the third Ce site, Ce is bonded in a 6-coordinate geometry to one Ni and five Ge atoms. The Ce–Ni bond length is 2.80 Å. There are a spread of Ce–Ge bond distances ranging from 3.02–3.04 Å. In the fourth Ce site, Ce is bonded in a 7-coordinate geometry to three equivalent Ni and four Ge atoms. There are one shorter (2.83 Å) and two longer (2.94 Å) Ce–Ni bond lengths. There are two shorter (3.11 Å) and two longer (3.14 Å) Ce–Ge bond lengths. In the fifth Ce site, Ce is bonded in a 7-coordinate geometry to three equivalent Ni and four Ge atoms. There are two shorter (2.82 Å) and one longer (2.92 Å) Ce–Ni bond lengths. There are a spread of Ce–Ge bond distances ranging from 3.10–3.56 Å. In the sixth Ce site, Ce is bonded in a square co-planar geometry to four equivalent Ge atoms. All Ce–Ge bond lengths are 3.02 Å. There are two inequivalent Ni sites. In the first Ni site, Ni is bonded in a 9-coordinate geometry to six Ce, one Ni, and two equivalent Ge atoms. The Ni–Ni bond length is 2.43 Å. Both Ni–Ge bond lengths are 2.52 Å. In the second Ni site, Ni is bonded in a 9-coordinate geometry to six Ce, two equivalent Ni, and one Ge atom. Both Ni–Ni bond lengths are 2.52 Å. The Ni–Ge bond length is 2.49 Å. There are three inequivalent Ge sites. In the first Ge site, Ge is bonded in a 9-coordinate geometry to seven Ce and two equivalent Ni atoms. In the second Ge site, Ge is bonded in a 9-coordinate geometry to nine Ce atoms. In the third Ge site, Ge is bonded in a 9-coordinate geometry to eight Ce and one Ni atom.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on V9GaSiGe by Materials Project

V9GaGeSi crystallizes in the orthorhombic Pmm2 space group. The structure is three-dimensional. there are twelve inequivalent V sites. In the first V site, V is bonded in a 6-coordinate geometry to two V, two equivalent Ga, and two equivalent Ge atoms. There are one shorter (2.37 Å) and one longer (2.38 Å) V–V bond lengths. Both V–Ga bond lengths are 2.67 Å. Both V–Ge bond lengths are 2.66 Å. In the second V site, V is bonded in a 6-coordinate geometry to two V, two equivalent Ga, and two equivalent Ge atoms. There are one shorter (2.37 Å) and one longer (2.38 Å) V–V bond lengths. Both V–Ga bond lengths are 2.66 Å. Both V–Ge bond lengths are 2.67 Å. In the third V site, V is bonded in a 6-coordinate geometry to two V and four Si atoms. There are one shorter (2.33 Å) and one longer (2.36 Å) V–V bond lengths. There are two shorter (2.65 Å) and two longer (2.67 Å) V–Si bond lengths. In the fourth V site, V is bonded in a 6-coordinate geometry to two equivalent V, one Ga, and three Si atoms. There are one shorter (2.32 Å) and one longer (2.45 Å) V–V bond lengths. The V–Ga bond length is 2.69 Å. There are one shorter (2.62 Å) and two longer (2.65 Å) V–Si bond lengths. In the fifth V site, V is bonded in a 6-coordinate geometry to two equivalent V, two Ga, and two equivalent Ge atoms. There are one shorter (2.34 Å) and one longer (2.42 Å) V–V bond lengths. Both V–Ga bond lengths are 2.67 Å. Both V–Ge bond lengths are 2.66 Å. In the sixth V site, V is bonded in a 6-coordinate geometry to two equivalent V, one Ga, two equivalent Ge, and one Si atom. There are one shorter (2.38 Å) and one longer (2.39 Å) V–V bond lengths. The V–Ga bond length is 2.68 Å. Both V–Ge bond lengths are 2.66 Å. The V–Si bond length is 2.61 Å. In the seventh V site, V is bonded in a 6-coordinate geometry to two equivalent V, two equivalent Ga, one Ge, and one Si atom. There are one shorter (2.37 Å) and one longer (2.40 Å) V–V bond lengths. Both V–Ga bond lengths are 2.67 Å. The V–Ge bond length is 2.68 Å. The V–Si bond length is 2.61 Å. In the eighth V site, V is bonded in a 6-coordinate geometry to two equivalent V, two equivalent Ga, and two Ge atoms. There are one shorter (2.38 Å) and one longer (2.39 Å) V–V bond lengths. Both V–Ga bond lengths are 2.66 Å. Both V–Ge bond lengths are 2.66 Å. In the ninth V site, V is bonded in a 6-coordinate geometry to two equivalent V, one Ge, and three Si atoms. There are one shorter (2.34 Å) and one longer (2.43 Å) V–V bond lengths. The V–Ge bond length is 2.68 Å. There are one shorter (2.62 Å) and two longer (2.65 Å) V–Si bond lengths. In the tenth V site, V is bonded in a 6-coordinate geometry to two V, two equivalent Ga, and two equivalent Si atoms. Both V–Ga bond lengths are 2.67 Å. Both V–Si bond lengths are 2.65 Å. In the eleventh V site, V is bonded in a 6-coordinate geometry to two V, two equivalent Ga, and two equivalent Ge atoms. Both V–Ga bond lengths are 2.67 Å. Both V–Ge bond lengths are 2.66 Å. In the twelfth V site, V is bonded in a 6-coordinate geometry to two V, two equivalent Ge, and two equivalent Si atoms. Both V–Ge bond lengths are 2.66 Å. Both V–Si bond lengths are 2.65 Å. There are two inequivalent Ga sites. In the first Ga site, Ga is bonded to twelve V atoms to form GaV12 cuboctahedra that share an edgeedge with one SiV12 cuboctahedra, edges with five GaV12 cuboctahedra, faces with four equivalent GeV12 cuboctahedra, and faces with four equivalent SiV12 cuboctahedra. In the second Ga site, Ga is bonded to twelve V atoms to form GaV12 cuboctahedra that share an edgeedge with one SiV12 cuboctahedra, edges with five GaV12 cuboctahedra, and faces with eight GeV12 cuboctahedra. There are two inequivalent Ge sites. In the first Ge site, Ge is bonded to twelve V atoms to form GeV12 cuboctahedra that share an edgeedge with one SiV12 cuboctahedra, edges with five GeV12 cuboctahedra, and faces with eight GaV12 cuboctahedra. In the second Ge site, Ge is bonded to twelve V atoms to form GeV12 cuboctahedra that share an edgeedge with one SiV12 cuboctahedra, edges with five GeV12 cuboctahedra, faces with four equivalent GaV12 cuboctahedra, and faces with four equivalent SiV12 cuboctahedra. There are two inequivalent Si sites. In the first Si site, Si is bonded to twelve V atoms to form SiV12 cuboctahedra that share edges with two GaV12 cuboctahedra, edges with four equivalent SiV12 cuboctahedra, faces with four equivalent GeV12 cuboctahedra, and faces with four equivalent SiV12 cuboctahedra. In the second Si site, Si is bonded to twelve V atoms to form SiV12 cuboctahedra that share edges with two GeV12 cuboctahedra, edges with four equivalent SiV12 cuboctahedra, faces with four equivalent GaV12 cuboctahedra, and faces with four equivalent SiV12 cuboctahedra.

36 MATERIALS SCIENCE↗