Engineering Papers⌕ Search

SEARCH · Engineering Papers

Results for “Ga”

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 469 records · Page 26
All sourcesNASA NTRSDOE OSTI
DOE OSTI2020

Materials Data on Ca3(CdGa2)2 by Materials Project

Ca3(CdGa2)2 crystallizes in the monoclinic Cm space group. The structure is three-dimensional. there are six inequivalent Ca sites. In the first Ca site, Ca is bonded in a 12-coordinate geometry to four Cd and eight Ga atoms. There are a spread of Ca–Cd bond distances ranging from 3.29–3.48 Å. There are a spread of Ca–Ga bond distances ranging from 3.16–3.46 Å. In the second Ca site, Ca is bonded in a 12-coordinate geometry to three Cd and nine Ga atoms. There are one shorter (3.32 Å) and two longer (3.45 Å) Ca–Cd bond lengths. There are a spread of Ca–Ga bond distances ranging from 3.16–3.46 Å. In the third Ca site, Ca is bonded in a 12-coordinate geometry to five Cd and seven Ga atoms. There are a spread of Ca–Cd bond distances ranging from 3.29–3.47 Å. There are a spread of Ca–Ga bond distances ranging from 3.11–3.52 Å. In the fourth Ca site, Ca is bonded in a 12-coordinate geometry to six Cd and six Ga atoms. There are a spread of Ca–Cd bond distances ranging from 3.23–3.48 Å. There are a spread of Ca–Ga bond distances ranging from 3.17–3.53 Å. In the fifth Ca site, Ca is bonded in a 12-coordinate geometry to three equivalent Cd and nine Ga atoms. There are one shorter (3.21 Å) and two longer (3.26 Å) Ca–Cd bond lengths. There are a spread of Ca–Ga bond distances ranging from 3.17–3.53 Å. In the sixth Ca site, Ca is bonded in a 12-coordinate geometry to three equivalent Cd and nine Ga atoms. There are one shorter (3.21 Å) and two longer (3.26 Å) Ca–Cd bond lengths. There are a spread of Ca–Ga bond distances ranging from 3.16–3.52 Å. There are four inequivalent Cd sites. In the first Cd site, Cd is bonded in a 10-coordinate geometry to six Ca, two equivalent Cd, and two Ga atoms. Both Cd–Cd bond lengths are 2.93 Å. There are one shorter (2.75 Å) and one longer (2.90 Å) Cd–Ga bond lengths. In the second Cd site, Cd is bonded in a 10-coordinate geometry to six Ca and four Ga atoms. There are a spread of Cd–Ga bond distances ranging from 2.77–2.95 Å. In the third Cd site, Cd is bonded in a 10-coordinate geometry to six Ca and four Ga atoms. There are a spread of Cd–Ga bond distances ranging from 2.79–2.92 Å. In the fourth Cd site, Cd is bonded in a 10-coordinate geometry to six Ca, two equivalent Cd, and two Ga atoms. There are one shorter (2.75 Å) and one longer (2.86 Å) Cd–Ga bond lengths. There are eight inequivalent Ga sites. In the first Ga site, Ga is bonded in a 10-coordinate geometry to six Ca, two equivalent Cd, and two Ga atoms. There are one shorter (2.69 Å) and one longer (2.79 Å) Ga–Ga bond lengths. In the second Ga site, Ga is bonded in a 10-coordinate geometry to six Ca, two equivalent Cd, and two Ga atoms. There are one shorter (2.66 Å) and one longer (2.79 Å) Ga–Ga bond lengths. In the third Ga site, Ga is bonded in a 10-coordinate geometry to six Ca, one Cd, and three Ga atoms. Both Ga–Ga bond lengths are 2.76 Å. In the fourth Ga site, Ga is bonded in a 10-coordinate geometry to six Ca, one Cd, and three Ga atoms. Both Ga–Ga bond lengths are 2.77 Å. In the fifth Ga site, Ga is bonded in a 10-coordinate geometry to six Ca, two Cd, and two equivalent Ga atoms. Both Ga–Ga bond lengths are 2.73 Å. In the sixth Ga site, Ga is bonded in a 10-coordinate geometry to six Ca, one Cd, and three Ga atoms. In the seventh Ga site, Ga is bonded in a 10-coordinate geometry to six Ca, one Cd, and three Ga atoms. In the eighth Ga site, Ga is bonded in a 10-coordinate geometry to six Ca, two Cd, and two equivalent Ga atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on Lu3Ga10Ni by Materials Project

Lu3NiGa10 crystallizes in the monoclinic Cm space group. The structure is three-dimensional. there are three inequivalent Lu sites. In the first Lu site, Lu is bonded in a 12-coordinate geometry to fourteen Ga atoms. There are a spread of Lu–Ga bond distances ranging from 2.99–3.57 Å. In the second Lu site, Lu is bonded in a 10-coordinate geometry to two equivalent Ni and twelve Ga atoms. Both Lu–Ni bond lengths are 3.17 Å. There are a spread of Lu–Ga bond distances ranging from 3.03–3.41 Å. In the third Lu site, Lu is bonded in a 11-coordinate geometry to two equivalent Ni and eleven Ga atoms. Both Lu–Ni bond lengths are 3.10 Å. There are a spread of Lu–Ga bond distances ranging from 2.98–3.52 Å. Ni is bonded in a 9-coordinate geometry to four Lu and five Ga atoms. There are a spread of Ni–Ga bond distances ranging from 2.35–2.41 Å. There are ten inequivalent Ga sites. In the first Ga site, Ga is bonded in a 1-coordinate geometry to three Lu, one Ni, and five Ga atoms. There are a spread of Ga–Ga bond distances ranging from 2.62–2.95 Å. In the second Ga site, Ga is bonded in a 2-coordinate geometry to four Lu, two equivalent Ni, and four Ga atoms. There are a spread of Ga–Ga bond distances ranging from 2.67–3.02 Å. In the third Ga site, Ga is bonded in a 10-coordinate geometry to four Lu and six Ga atoms. There are a spread of Ga–Ga bond distances ranging from 2.59–2.93 Å. In the fourth Ga site, Ga is bonded in a 10-coordinate geometry to four Lu and six Ga atoms. There are a spread of Ga–Ga bond distances ranging from 2.57–2.99 Å. In the fifth Ga site, Ga is bonded to four Lu and eight Ga atoms to form distorted face-sharing GaLu4Ga8 cuboctahedra. There are two shorter (2.93 Å) and two longer (2.95 Å) Ga–Ga bond lengths. In the sixth Ga site, Ga is bonded in a 1-coordinate geometry to four Lu, one Ni, and seven Ga atoms. The Ga–Ga bond length is 2.59 Å. In the seventh Ga site, Ga is bonded in a 12-coordinate geometry to two Lu and eight Ga atoms. There are one shorter (2.56 Å) and one longer (2.74 Å) Ga–Ga bond lengths. In the eighth Ga site, Ga is bonded in a 9-coordinate geometry to four Lu and five Ga atoms. The Ga–Ga bond length is 2.45 Å. In the ninth Ga site, Ga is bonded in a 1-coordinate geometry to four Lu, one Ni, and four Ga atoms. In the tenth Ga site, Ga is bonded in a 9-coordinate geometry to four Lu and five Ga atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on Ca3(InGa2)2 by Materials Project

Ca3(InGa2)2 crystallizes in the monoclinic Cm space group. The structure is three-dimensional. there are six inequivalent Ca sites. In the first Ca site, Ca is bonded in a 12-coordinate geometry to six In and six Ga atoms. There are three shorter (3.14 Å) and three longer (3.63 Å) Ca–In bond lengths. There are a spread of Ca–Ga bond distances ranging from 3.08–3.44 Å. In the second Ca site, Ca is bonded in a 12-coordinate geometry to three equivalent In and nine Ga atoms. There are two shorter (3.17 Å) and one longer (3.18 Å) Ca–In bond lengths. There are a spread of Ca–Ga bond distances ranging from 3.09–3.62 Å. In the third Ca site, Ca is bonded in a 12-coordinate geometry to three equivalent In and nine Ga atoms. All Ca–In bond lengths are 3.17 Å. There are a spread of Ca–Ga bond distances ranging from 3.09–3.61 Å. In the fourth Ca site, Ca is bonded in a 12-coordinate geometry to six In and six Ga atoms. There are a spread of Ca–In bond distances ranging from 3.13–3.63 Å. There are three shorter (3.08 Å) and three longer (3.43 Å) Ca–Ga bond lengths. In the fifth Ca site, Ca is bonded in a 12-coordinate geometry to three equivalent In and nine Ga atoms. All Ca–In bond lengths are 3.50 Å. There are a spread of Ca–Ga bond distances ranging from 3.08–3.47 Å. In the sixth Ca site, Ca is bonded in a 12-coordinate geometry to three equivalent In and nine Ga atoms. There are one shorter (3.49 Å) and two longer (3.50 Å) Ca–In bond lengths. There are a spread of Ca–Ga bond distances ranging from 3.08–3.48 Å. There are four inequivalent In sites. In the first In site, In is bonded in a 10-coordinate geometry to six Ca, three equivalent In, and one Ga atom. There are one shorter (2.82 Å) and two longer (2.83 Å) In–In bond lengths. The In–Ga bond length is 3.08 Å. In the second In site, In is bonded in a 10-coordinate geometry to six Ca and four Ga atoms. There are three shorter (2.80 Å) and one longer (3.16 Å) In–Ga bond lengths. In the third In site, In is bonded in a 10-coordinate geometry to six Ca and four Ga atoms. There are three shorter (2.80 Å) and one longer (3.15 Å) In–Ga bond lengths. In the fourth In site, In is bonded in a 10-coordinate geometry to six Ca, three equivalent In, and one Ga atom. The In–Ga bond length is 3.07 Å. There are eight inequivalent Ga sites. In the first Ga site, Ga is bonded in a 10-coordinate geometry to six Ca, three equivalent In, and one Ga atom. The Ga–Ga bond length is 3.00 Å. In the second Ga site, Ga is bonded in a 10-coordinate geometry to six Ca, three equivalent In, and one Ga atom. The Ga–Ga bond length is 3.00 Å. In the third Ga site, Ga is bonded in a 10-coordinate geometry to six Ca, one In, and three equivalent Ga atoms. There are two shorter (2.77 Å) and one longer (2.78 Å) Ga–Ga bond lengths. In the fourth Ga site, Ga is bonded in a 10-coordinate geometry to six Ca and four Ga atoms. All Ga–Ga bond lengths are 2.78 Å. In the fifth Ga site, Ga is bonded in a 10-coordinate geometry to six Ca and four Ga atoms. All Ga–Ga bond lengths are 2.78 Å. In the sixth Ga site, Ga is bonded in a 10-coordinate geometry to six Ca, one In, and three equivalent Ga atoms. In the seventh Ga site, Ga is bonded in a 10-coordinate geometry to six Ca, one In, and three equivalent Ga atoms. In the eighth Ga site, Ga is bonded in a 10-coordinate geometry to six Ca, one In, and three equivalent Ga atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on Nd(Ga3Co)3 by Materials Project

NdCo3Ga9 crystallizes in the monoclinic C2/m space group. The structure is three-dimensional. Nd is bonded in a 12-coordinate geometry to thirteen Ga atoms. There are a spread of Nd–Ga bond distances ranging from 3.09–3.54 Å. There are three inequivalent Co sites. In the first Co site, Co is bonded in a 8-coordinate geometry to one Co and seven Ga atoms. The Co–Co bond length is 2.75 Å. There are a spread of Co–Ga bond distances ranging from 2.34–2.63 Å. In the second Co site, Co is bonded in a 9-coordinate geometry to two equivalent Co and seven Ga atoms. Both Co–Co bond lengths are 2.70 Å. There are a spread of Co–Ga bond distances ranging from 2.32–2.58 Å. In the third Co site, Co is bonded in a 11-coordinate geometry to three Co and eight Ga atoms. There are a spread of Co–Ga bond distances ranging from 2.55–2.91 Å. There are ten inequivalent Ga sites. In the first Ga site, Ga is bonded in a 10-coordinate geometry to two equivalent Nd and eight Ga atoms. There are a spread of Ga–Ga bond distances ranging from 2.65–2.93 Å. In the second Ga site, Ga is bonded in a 1-coordinate geometry to three Co and seven Ga atoms. There are two shorter (2.61 Å) and two longer (2.82 Å) Ga–Ga bond lengths. In the third Ga site, Ga is bonded in a 10-coordinate geometry to one Nd, two Co, and seven Ga atoms. Both Ga–Ga bond lengths are 2.81 Å. In the fourth Ga site, Ga is bonded in a 4-coordinate geometry to two equivalent Nd, two equivalent Co, and four equivalent Ga atoms. All Ga–Ga bond lengths are 2.80 Å. In the fifth Ga site, Ga is bonded in a 8-coordinate geometry to two equivalent Nd, two equivalent Co, and four equivalent Ga atoms. All Ga–Ga bond lengths are 2.75 Å. In the sixth Ga site, Ga is bonded in a 3-coordinate geometry to five Co and six Ga atoms. There are a spread of Ga–Ga bond distances ranging from 2.94–3.06 Å. In the seventh Ga site, Ga is bonded in a 2-coordinate geometry to two equivalent Nd, three Co, and four Ga atoms. There are one shorter (2.49 Å) and one longer (2.61 Å) Ga–Ga bond lengths. In the eighth Ga site, Ga is bonded in a 6-coordinate geometry to two equivalent Nd, two equivalent Co, and four Ga atoms. The Ga–Ga bond length is 2.57 Å. In the ninth Ga site, Ga is bonded in a 10-coordinate geometry to two equivalent Nd, two equivalent Co, and six Ga atoms. In the tenth Ga site, Ga is bonded in a 11-coordinate geometry to two equivalent Nd, three Co, and six Ga atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on Dy3(Ga2Cu)2 by Materials Project

Dy3(CuGa2)2 crystallizes in the monoclinic Cm space group. The structure is three-dimensional. there are six inequivalent Dy sites. In the first Dy site, Dy is bonded in a 12-coordinate geometry to five Cu and seven Ga atoms. There are a spread of Dy–Cu bond distances ranging from 2.99–3.21 Å. There are a spread of Dy–Ga bond distances ranging from 3.00–3.24 Å. In the second Dy site, Dy is bonded in a 12-coordinate geometry to four Cu and eight Ga atoms. There are a spread of Dy–Cu bond distances ranging from 2.98–3.24 Å. There are a spread of Dy–Ga bond distances ranging from 3.02–3.20 Å. In the third Dy site, Dy is bonded in a 12-coordinate geometry to three equivalent Cu and nine Ga atoms. There are one shorter (3.12 Å) and two longer (3.22 Å) Dy–Cu bond lengths. There are a spread of Dy–Ga bond distances ranging from 3.00–3.21 Å. In the fourth Dy site, Dy is bonded in a 12-coordinate geometry to six Cu and six Ga atoms. There are a spread of Dy–Cu bond distances ranging from 3.00–3.20 Å. There are a spread of Dy–Ga bond distances ranging from 3.04–3.23 Å. In the fifth Dy site, Dy is bonded in a 12-coordinate geometry to three Cu and nine Ga atoms. There are two shorter (3.01 Å) and one longer (3.04 Å) Dy–Cu bond lengths. There are a spread of Dy–Ga bond distances ranging from 3.04–3.22 Å. In the sixth Dy site, Dy is bonded in a 12-coordinate geometry to three Cu and nine Ga atoms. There are two shorter (3.01 Å) and one longer (3.04 Å) Dy–Cu bond lengths. There are a spread of Dy–Ga bond distances ranging from 3.04–3.23 Å. There are four inequivalent Cu sites. In the first Cu site, Cu is bonded in a 10-coordinate geometry to six Dy, one Cu, and three Ga atoms. The Cu–Cu bond length is 2.60 Å. There are two shorter (2.52 Å) and one longer (2.79 Å) Cu–Ga bond lengths. In the second Cu site, Cu is bonded in a 10-coordinate geometry to six Dy and four Ga atoms. There are a spread of Cu–Ga bond distances ranging from 2.51–2.79 Å. In the third Cu site, Cu is bonded in a 10-coordinate geometry to six Dy and four Ga atoms. There are a spread of Cu–Ga bond distances ranging from 2.52–2.80 Å. In the fourth Cu site, Cu is bonded in a 10-coordinate geometry to six Dy, one Cu, and three Ga atoms. There are two shorter (2.53 Å) and one longer (2.82 Å) Cu–Ga bond lengths. There are eight inequivalent Ga sites. In the first Ga site, Ga is bonded in a 10-coordinate geometry to six Dy, one Cu, and three Ga atoms. There are two shorter (2.59 Å) and one longer (2.85 Å) Ga–Ga bond lengths. In the second Ga site, Ga is bonded in a 10-coordinate geometry to six Dy, one Cu, and three Ga atoms. There are two shorter (2.59 Å) and one longer (2.85 Å) Ga–Ga bond lengths. In the third Ga site, Ga is bonded in a 10-coordinate geometry to six Dy, three Cu, and one Ga atom. The Ga–Ga bond length is 2.55 Å. In the fourth Ga site, Ga is bonded in a 10-coordinate geometry to six Dy, two equivalent Cu, and two Ga atoms. The Ga–Ga bond length is 2.60 Å. In the fifth Ga site, Ga is bonded in a 10-coordinate geometry to six Dy, two equivalent Cu, and two Ga atoms. The Ga–Ga bond length is 2.56 Å. In the sixth Ga site, Ga is bonded in a 10-coordinate geometry to six Dy, three Cu, and one Ga atom. In the seventh Ga site, Ga is bonded in a 10-coordinate geometry to six Dy, one Cu, and three Ga atoms. In the eighth Ga site, Ga is bonded in a 10-coordinate geometry to six Dy, one Cu, and three Ga atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on Sm8Ga21Ru11 by Materials Project

Sm8Ru11Ga21 crystallizes in the orthorhombic C222 space group. The structure is three-dimensional. there are two inequivalent Sm sites. In the first Sm site, Sm is bonded in a 11-coordinate geometry to three Ru and ten Ga atoms. There are two shorter (3.22 Å) and one longer (3.43 Å) Sm–Ru bond lengths. There are a spread of Sm–Ga bond distances ranging from 2.96–3.43 Å. In the second Sm site, Sm is bonded in a 11-coordinate geometry to four Ru and nine Ga atoms. There are a spread of Sm–Ru bond distances ranging from 3.21–3.44 Å. There are a spread of Sm–Ga bond distances ranging from 2.99–3.39 Å. There are five inequivalent Ru sites. In the first Ru site, Ru is bonded in a 12-coordinate geometry to four equivalent Sm, two equivalent Ru, and six Ga atoms. Both Ru–Ru bond lengths are 2.83 Å. There are four shorter (2.57 Å) and two longer (2.91 Å) Ru–Ga bond lengths. In the second Ru site, Ru is bonded in a 6-coordinate geometry to two equivalent Sm and six Ga atoms. There are a spread of Ru–Ga bond distances ranging from 2.54–2.60 Å. In the third Ru site, Ru is bonded in a 12-coordinate geometry to four equivalent Sm, two equivalent Ru, and six Ga atoms. There are four shorter (2.57 Å) and two longer (2.90 Å) Ru–Ga bond lengths. In the fourth Ru site, Ru is bonded in a 12-coordinate geometry to four equivalent Sm and eight Ga atoms. There are a spread of Ru–Ga bond distances ranging from 2.57–2.90 Å. In the fifth Ru site, Ru is bonded in a 6-coordinate geometry to two equivalent Sm and six Ga atoms. There are a spread of Ru–Ga bond distances ranging from 2.53–2.60 Å. There are nine inequivalent Ga sites. In the first Ga site, Ga is bonded to four equivalent Sm, two equivalent Ru, and six Ga atoms to form distorted corner-sharing GaSm4Ga6Ru2 cuboctahedra. There are four shorter (2.62 Å) and two longer (2.97 Å) Ga–Ga bond lengths. In the second Ga site, Ga is bonded in a 9-coordinate geometry to four Sm, four Ru, and one Ga atom. The Ga–Ga bond length is 2.77 Å. In the third Ga site, Ga is bonded in a 9-coordinate geometry to four Sm, four Ru, and one Ga atom. In the fourth Ga site, Ga is bonded in a 2-coordinate geometry to four Sm, two equivalent Ru, and five Ga atoms. There are two shorter (2.81 Å) and two longer (2.83 Å) Ga–Ga bond lengths. In the fifth Ga site, Ga is bonded in a 11-coordinate geometry to four Sm, three Ru, and four Ga atoms. There are two shorter (2.75 Å) and two longer (2.83 Å) Ga–Ga bond lengths. In the sixth Ga site, Ga is bonded in a 11-coordinate geometry to four Sm, three Ru, and four Ga atoms. Both Ga–Ga bond lengths are 2.75 Å. In the seventh Ga site, Ga is bonded in a 11-coordinate geometry to four Sm, three Ru, and four Ga atoms. Both Ga–Ga bond lengths are 2.72 Å. In the eighth Ga site, Ga is bonded in a 6-coordinate geometry to three equivalent Sm, three Ru, and three Ga atoms. In the ninth Ga site, Ga is bonded in a 7-coordinate geometry to three equivalent Sm, four Ru, and two Ga atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on U2Ga10CoNi by Materials Project

U2CoNiGa10 crystallizes in the tetragonal P4/mmm space group. The structure is three-dimensional. U is bonded to twelve Ga atoms to form UGa12 cuboctahedra that share corners with four equivalent UGa12 cuboctahedra, faces with four equivalent UGa12 cuboctahedra, and faces with four equivalent GaU4Ga8 cuboctahedra. There are a spread of U–Ga bond distances ranging from 2.97–3.00 Å. Co is bonded in a body-centered cubic geometry to eight Ga atoms. All Co–Ga bond lengths are 2.49 Å. Ni is bonded in a body-centered cubic geometry to eight Ga atoms. All Ni–Ga bond lengths are 2.51 Å. There are nine inequivalent Ga sites. In the first Ga site, Ga is bonded in a 4-coordinate geometry to two equivalent U, two equivalent Co, and seven Ga atoms. Both Ga–U bond lengths are 2.97 Å. There are a spread of Ga–Ga bond distances ranging from 2.62–3.00 Å. In the second Ga site, Ga is bonded in a 4-coordinate geometry to two equivalent U, two equivalent Ni, and seven Ga atoms. There are a spread of Ga–Ga bond distances ranging from 2.66–3.00 Å. In the third Ga site, Ga is bonded in a 4-coordinate geometry to two equivalent U, two equivalent Co, and seven Ga atoms. Both Ga–U bond lengths are 2.97 Å. There are one shorter (2.62 Å) and two longer (2.98 Å) Ga–Ga bond lengths. In the fourth Ga site, Ga is bonded in a 4-coordinate geometry to two equivalent U, two equivalent Ni, and seven Ga atoms. There are one shorter (2.66 Å) and two longer (2.97 Å) Ga–Ga bond lengths. In the fifth Ga site, Ga is bonded in a 4-coordinate geometry to two equivalent U, two equivalent Co, and seven Ga atoms. There are two shorter (2.98 Å) and four longer (3.00 Å) Ga–Ga bond lengths. In the sixth Ga site, Ga is bonded in a 4-coordinate geometry to two equivalent U, two equivalent Ni, and seven Ga atoms. Both Ga–U bond lengths are 2.98 Å. There are two shorter (2.97 Å) and four longer (3.00 Å) Ga–Ga bond lengths. In the seventh Ga site, Ga is bonded in a 4-coordinate geometry to two equivalent U, two equivalent Co, and seven Ga atoms. Both Ga–Ga bond lengths are 2.98 Å. In the eighth Ga site, Ga is bonded in a 4-coordinate geometry to two equivalent U, two equivalent Ni, and seven Ga atoms. Both Ga–U bond lengths are 2.98 Å. Both Ga–Ga bond lengths are 2.97 Å. In the ninth Ga site, Ga is bonded to four equivalent U and eight Ga atoms to form GaU4Ga8 cuboctahedra that share corners with four equivalent GaU4Ga8 cuboctahedra, faces with four equivalent UGa12 cuboctahedra, and faces with four equivalent GaU4Ga8 cuboctahedra.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on Li2Ga7 by Materials Project

Li2Ga7 crystallizes in the monoclinic Cm space group. The structure is three-dimensional. there are three inequivalent Li sites. In the first Li site, Li is bonded in a 9-coordinate geometry to nine Ga atoms. There are a spread of Li–Ga bond distances ranging from 2.86–3.04 Å. In the second Li site, Li is bonded in a 9-coordinate geometry to nine Ga atoms. There are a spread of Li–Ga bond distances ranging from 2.83–3.01 Å. In the third Li site, Li is bonded in a 9-coordinate geometry to nine Ga atoms. There are a spread of Li–Ga bond distances ranging from 2.87–3.05 Å. There are ten inequivalent Ga sites. In the first Ga site, Ga is bonded in a 9-coordinate geometry to three Li and six Ga atoms. There are a spread of Ga–Ga bond distances ranging from 2.57–2.82 Å. In the second Ga site, Ga is bonded in a 8-coordinate geometry to two equivalent Li and six Ga atoms. There are a spread of Ga–Ga bond distances ranging from 2.53–2.76 Å. In the third Ga site, Ga is bonded in a 9-coordinate geometry to three Li and six Ga atoms. There are one shorter (2.58 Å) and three longer (2.66 Å) Ga–Ga bond lengths. In the fourth Ga site, Ga is bonded in a 2-coordinate geometry to two equivalent Li and six Ga atoms. There are a spread of Ga–Ga bond distances ranging from 2.57–2.70 Å. In the fifth Ga site, Ga is bonded in a 9-coordinate geometry to three Li and six Ga atoms. There are a spread of Ga–Ga bond distances ranging from 2.52–2.70 Å. In the sixth Ga site, Ga is bonded in a 8-coordinate geometry to two equivalent Li and six Ga atoms. The Ga–Ga bond length is 2.49 Å. In the seventh Ga site, Ga is bonded in a 9-coordinate geometry to three Li and six Ga atoms. There are one shorter (2.71 Å) and one longer (2.73 Å) Ga–Ga bond lengths. In the eighth Ga site, Ga is bonded in a 8-coordinate geometry to two equivalent Li and six Ga atoms. In the ninth Ga site, Ga is bonded in a distorted hexagonal pyramidal geometry to three Li and four Ga atoms. The Ga–Ga bond length is 2.65 Å. In the tenth Ga site, Ga is bonded in a 5-coordinate geometry to one Li and four Ga atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on Tm6Ga17Pd5 by Materials Project

Tm6Pd5Ga17 crystallizes in the monoclinic C2/m space group. The structure is three-dimensional. there are three inequivalent Tm sites. In the first Tm site, Tm is bonded to twelve Ga atoms to form distorted TmGa12 cuboctahedra that share an edgeedge with one PdTm4Ga4Pd4 cuboctahedra, an edgeedge with one GaTm4Ga4Pd4 cuboctahedra, and faces with two equivalent TmGa12 cuboctahedra. There are a spread of Tm–Ga bond distances ranging from 3.15–3.23 Å. In the second Tm site, Tm is bonded in a 10-coordinate geometry to two equivalent Pd and twelve Ga atoms. There are one shorter (3.03 Å) and one longer (3.04 Å) Tm–Pd bond lengths. There are a spread of Tm–Ga bond distances ranging from 3.03–3.43 Å. In the third Tm site, Tm is bonded in a 12-coordinate geometry to four Pd and nine Ga atoms. There are a spread of Tm–Pd bond distances ranging from 3.06–3.19 Å. There are a spread of Tm–Ga bond distances ranging from 3.06–3.43 Å. There are three inequivalent Pd sites. In the first Pd site, Pd is bonded in a 12-coordinate geometry to two equivalent Tm, two equivalent Pd, and six Ga atoms. Both Pd–Pd bond lengths are 2.88 Å. There are a spread of Pd–Ga bond distances ranging from 2.54–2.69 Å. In the second Pd site, Pd is bonded in a 10-coordinate geometry to two equivalent Tm and eight Ga atoms. There are a spread of Pd–Ga bond distances ranging from 2.63–2.77 Å. In the third Pd site, Pd is bonded to four equivalent Tm, four equivalent Pd, and four Ga atoms to form distorted PdTm4Ga4Pd4 cuboctahedra that share edges with two equivalent TmGa12 cuboctahedra and faces with two equivalent PdTm4Ga4Pd4 cuboctahedra. There are two shorter (2.64 Å) and two longer (2.65 Å) Pd–Ga bond lengths. There are nine inequivalent Ga sites. In the first Ga site, Ga is bonded in a 10-coordinate geometry to four Tm, two equivalent Pd, and four Ga atoms. There are a spread of Ga–Ga bond distances ranging from 2.57–2.73 Å. In the second Ga site, Ga is bonded in a 9-coordinate geometry to three Tm, three Pd, and three equivalent Ga atoms. There are two shorter (2.62 Å) and one longer (2.70 Å) Ga–Ga bond lengths. In the third Ga site, Ga is bonded in a 10-coordinate geometry to four Tm, three Pd, and three Ga atoms. There are two shorter (2.62 Å) and one longer (2.75 Å) Ga–Ga bond lengths. In the fourth Ga site, Ga is bonded in a 10-coordinate geometry to four Tm, two equivalent Pd, and four Ga atoms. There are a spread of Ga–Ga bond distances ranging from 2.57–2.71 Å. In the fifth Ga site, Ga is bonded in a 1-coordinate geometry to four Tm, one Pd, and four Ga atoms. The Ga–Ga bond length is 2.54 Å. In the sixth Ga site, Ga is bonded in a 1-coordinate geometry to four Tm, one Pd, and four Ga atoms. The Ga–Ga bond length is 2.53 Å. In the seventh Ga site, Ga is bonded in a 1-coordinate geometry to four Tm, one Pd, and four Ga atoms. In the eighth Ga site, Ga is bonded in a 1-coordinate geometry to four Tm, one Pd, and four Ga atoms. In the ninth Ga site, Ga is bonded to four equivalent Tm, four equivalent Pd, and four Ga atoms to form distorted GaTm4Ga4Pd4 cuboctahedra that share edges with two equivalent TmGa12 cuboctahedra and faces with two equivalent GaTm4Ga4Pd4 cuboctahedra.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on Er6Ga17Pd5 by Materials Project

Er6Pd5Ga17 crystallizes in the monoclinic C2/m space group. The structure is three-dimensional. there are three inequivalent Er sites. In the first Er site, Er is bonded to twelve Ga atoms to form distorted ErGa12 cuboctahedra that share an edgeedge with one PdEr4Ga4Pd4 cuboctahedra, an edgeedge with one GaEr4Ga4Pd4 cuboctahedra, and faces with two equivalent ErGa12 cuboctahedra. There are a spread of Er–Ga bond distances ranging from 3.16–3.22 Å. In the second Er site, Er is bonded in a 10-coordinate geometry to two equivalent Pd and twelve Ga atoms. There are one shorter (3.03 Å) and one longer (3.04 Å) Er–Pd bond lengths. There are a spread of Er–Ga bond distances ranging from 3.04–3.44 Å. In the third Er site, Er is bonded in a 12-coordinate geometry to four Pd and nine Ga atoms. There are a spread of Er–Pd bond distances ranging from 3.06–3.20 Å. There are a spread of Er–Ga bond distances ranging from 3.07–3.42 Å. There are three inequivalent Pd sites. In the first Pd site, Pd is bonded in a 12-coordinate geometry to two equivalent Er, two equivalent Pd, and six Ga atoms. Both Pd–Pd bond lengths are 2.88 Å. There are a spread of Pd–Ga bond distances ranging from 2.53–2.69 Å. In the second Pd site, Pd is bonded in a 10-coordinate geometry to two equivalent Er and eight Ga atoms. There are a spread of Pd–Ga bond distances ranging from 2.63–2.77 Å. In the third Pd site, Pd is bonded to four equivalent Er, four equivalent Pd, and four Ga atoms to form distorted PdEr4Ga4Pd4 cuboctahedra that share edges with two equivalent ErGa12 cuboctahedra and faces with two equivalent PdEr4Ga4Pd4 cuboctahedra. There are two shorter (2.63 Å) and two longer (2.64 Å) Pd–Ga bond lengths. There are nine inequivalent Ga sites. In the first Ga site, Ga is bonded in a 10-coordinate geometry to four Er, two equivalent Pd, and four Ga atoms. There are a spread of Ga–Ga bond distances ranging from 2.58–2.72 Å. In the second Ga site, Ga is bonded in a 9-coordinate geometry to three Er, three Pd, and three equivalent Ga atoms. There are two shorter (2.63 Å) and one longer (2.70 Å) Ga–Ga bond lengths. In the third Ga site, Ga is bonded in a 10-coordinate geometry to four Er, three Pd, and three Ga atoms. There are two shorter (2.62 Å) and one longer (2.74 Å) Ga–Ga bond lengths. In the fourth Ga site, Ga is bonded in a 10-coordinate geometry to four Er, two equivalent Pd, and four Ga atoms. There are a spread of Ga–Ga bond distances ranging from 2.58–2.70 Å. In the fifth Ga site, Ga is bonded in a 1-coordinate geometry to four Er, one Pd, and four Ga atoms. The Ga–Ga bond length is 2.55 Å. In the sixth Ga site, Ga is bonded in a 1-coordinate geometry to four Er, one Pd, and four Ga atoms. The Ga–Ga bond length is 2.54 Å. In the seventh Ga site, Ga is bonded in a 1-coordinate geometry to four Er, one Pd, and four Ga atoms. In the eighth Ga site, Ga is bonded in a 1-coordinate geometry to four Er, one Pd, and four Ga atoms. In the ninth Ga site, Ga is bonded to four equivalent Er, four equivalent Pd, and four Ga atoms to form distorted GaEr4Ga4Pd4 cuboctahedra that share edges with two equivalent ErGa12 cuboctahedra and faces with two equivalent GaEr4Ga4Pd4 cuboctahedra.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on Y6Ga17Pd5 by Materials Project

Y6Pd5Ga17 crystallizes in the monoclinic C2/m space group. The structure is three-dimensional. there are three inequivalent Y sites. In the first Y site, Y is bonded to twelve Ga atoms to form distorted YGa12 cuboctahedra that share an edgeedge with one GaY4Ga4Pd4 cuboctahedra and faces with two equivalent YGa12 cuboctahedra. There are a spread of Y–Ga bond distances ranging from 3.19–3.23 Å. In the second Y site, Y is bonded in a 12-coordinate geometry to four Pd and ten Ga atoms. There are two shorter (3.10 Å) and two longer (3.26 Å) Y–Pd bond lengths. There are a spread of Y–Ga bond distances ranging from 3.09–3.52 Å. In the third Y site, Y is bonded in a 10-coordinate geometry to two equivalent Pd and twelve Ga atoms. Both Y–Pd bond lengths are 3.07 Å. There are a spread of Y–Ga bond distances ranging from 3.07–3.46 Å. There are three inequivalent Pd sites. In the first Pd site, Pd is bonded in a 10-coordinate geometry to two equivalent Y and eight Ga atoms. There are a spread of Pd–Ga bond distances ranging from 2.62–2.79 Å. In the second Pd site, Pd is bonded in a 12-coordinate geometry to two equivalent Y and six Ga atoms. There are a spread of Pd–Ga bond distances ranging from 2.55–2.72 Å. In the third Pd site, Pd is bonded in a 12-coordinate geometry to four equivalent Y and four Ga atoms. There are two shorter (2.62 Å) and two longer (2.63 Å) Pd–Ga bond lengths. There are nine inequivalent Ga sites. In the first Ga site, Ga is bonded in a 10-coordinate geometry to four Y, three Pd, and three equivalent Ga atoms. There are two shorter (2.65 Å) and one longer (2.73 Å) Ga–Ga bond lengths. In the second Ga site, Ga is bonded in a 10-coordinate geometry to four Y, two equivalent Pd, and four Ga atoms. There are two shorter (2.60 Å) and two longer (2.71 Å) Ga–Ga bond lengths. In the third Ga site, Ga is bonded in a 10-coordinate geometry to four Y, two equivalent Pd, and four Ga atoms. There are a spread of Ga–Ga bond distances ranging from 2.60–2.71 Å. In the fourth Ga site, Ga is bonded in a 10-coordinate geometry to four Y, three Pd, and three Ga atoms. There are two shorter (2.65 Å) and one longer (2.74 Å) Ga–Ga bond lengths. In the fifth Ga site, Ga is bonded in a 1-coordinate geometry to four Y, one Pd, and four Ga atoms. The Ga–Ga bond length is 2.55 Å. In the sixth Ga site, Ga is bonded in a 1-coordinate geometry to four Y, one Pd, and four Ga atoms. The Ga–Ga bond length is 2.58 Å. In the seventh Ga site, Ga is bonded in a 1-coordinate geometry to four Y, one Pd, and four Ga atoms. In the eighth Ga site, Ga is bonded in a 1-coordinate geometry to four Y, one Pd, and four Ga atoms. In the ninth Ga site, Ga is bonded to four equivalent Y, four equivalent Pd, and four Ga atoms to form distorted GaY4Ga4Pd4 cuboctahedra that share edges with two equivalent YGa12 cuboctahedra and faces with two equivalent GaY4Ga4Pd4 cuboctahedra.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on Y6Ga17Pt5 by Materials Project

Y6Pt5Ga17 crystallizes in the monoclinic C2/m space group. The structure is three-dimensional. there are three inequivalent Y sites. In the first Y site, Y is bonded to twelve Ga atoms to form distorted YGa12 cuboctahedra that share an edgeedge with one GaY4Ga4Pt4 cuboctahedra and faces with two equivalent YGa12 cuboctahedra. There are a spread of Y–Ga bond distances ranging from 3.16–3.26 Å. In the second Y site, Y is bonded in a 10-coordinate geometry to two equivalent Pt and twelve Ga atoms. There are one shorter (3.06 Å) and one longer (3.07 Å) Y–Pt bond lengths. There are a spread of Y–Ga bond distances ranging from 3.04–3.45 Å. In the third Y site, Y is bonded in a 12-coordinate geometry to four Pt and nine Ga atoms. There are a spread of Y–Pt bond distances ranging from 3.08–3.19 Å. There are a spread of Y–Ga bond distances ranging from 3.09–3.42 Å. There are three inequivalent Pt sites. In the first Pt site, Pt is bonded in a 12-coordinate geometry to two equivalent Y and six Ga atoms. There are a spread of Pt–Ga bond distances ranging from 2.54–2.71 Å. In the second Pt site, Pt is bonded in a 10-coordinate geometry to two equivalent Y and eight Ga atoms. There are a spread of Pt–Ga bond distances ranging from 2.58–2.83 Å. In the third Pt site, Pt is bonded in a 12-coordinate geometry to four equivalent Y and four Ga atoms. There are two shorter (2.63 Å) and two longer (2.64 Å) Pt–Ga bond lengths. There are nine inequivalent Ga sites. In the first Ga site, Ga is bonded in a 10-coordinate geometry to four Y, two equivalent Pt, and four Ga atoms. There are a spread of Ga–Ga bond distances ranging from 2.62–2.73 Å. In the second Ga site, Ga is bonded in a 3-coordinate geometry to three Y, three Pt, and three equivalent Ga atoms. There are one shorter (2.64 Å) and two longer (2.68 Å) Ga–Ga bond lengths. In the third Ga site, Ga is bonded in a 10-coordinate geometry to four Y, three Pt, and three Ga atoms. There are two shorter (2.67 Å) and one longer (2.68 Å) Ga–Ga bond lengths. In the fourth Ga site, Ga is bonded in a 10-coordinate geometry to four Y, two equivalent Pt, and four Ga atoms. There are a spread of Ga–Ga bond distances ranging from 2.61–2.71 Å. In the fifth Ga site, Ga is bonded in a 1-coordinate geometry to four Y, one Pt, and four Ga atoms. The Ga–Ga bond length is 2.56 Å. In the sixth Ga site, Ga is bonded in a 1-coordinate geometry to four Y, one Pt, and four Ga atoms. The Ga–Ga bond length is 2.51 Å. In the seventh Ga site, Ga is bonded in a 1-coordinate geometry to four Y, one Pt, and four Ga atoms. In the eighth Ga site, Ga is bonded in a 1-coordinate geometry to four Y, one Pt, and four Ga atoms. In the ninth Ga site, Ga is bonded to four equivalent Y, four equivalent Pt, and four Ga atoms to form distorted GaY4Ga4Pt4 cuboctahedra that share edges with two equivalent YGa12 cuboctahedra and faces with two equivalent GaY4Ga4Pt4 cuboctahedra.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on Ga5Pt by Materials Project

Ga5Pt crystallizes in the monoclinic P2_1/m space group. The structure is three-dimensional. there are two inequivalent Pt sites. In the first Pt site, Pt is bonded in a 9-coordinate geometry to nine Ga atoms. There are a spread of Pt–Ga bond distances ranging from 2.56–2.79 Å. In the second Pt site, Pt is bonded in a 9-coordinate geometry to nine Ga atoms. There are a spread of Pt–Ga bond distances ranging from 2.57–2.77 Å. There are eleven inequivalent Ga sites. In the first Ga site, Ga is bonded in a distorted single-bond geometry to one Pt and four Ga atoms. There are a spread of Ga–Ga bond distances ranging from 2.62–2.93 Å. In the second Ga site, Ga is bonded in a 2-coordinate geometry to two Pt and five Ga atoms. There are a spread of Ga–Ga bond distances ranging from 2.52–2.92 Å. In the third Ga site, Ga is bonded in a distorted single-bond geometry to one Pt and three Ga atoms. There are a spread of Ga–Ga bond distances ranging from 2.66–2.87 Å. In the fourth Ga site, Ga is bonded in a 3-coordinate geometry to two equivalent Pt and five Ga atoms. There are one shorter (2.54 Å) and two longer (2.93 Å) Ga–Ga bond lengths. In the fifth Ga site, Ga is bonded in a 2-coordinate geometry to two equivalent Pt and five Ga atoms. Both Ga–Ga bond lengths are 2.92 Å. In the sixth Ga site, Ga is bonded in a 1-coordinate geometry to one Pt and eight Ga atoms. There are a spread of Ga–Ga bond distances ranging from 2.64–2.93 Å. In the seventh Ga site, Ga is bonded in a 1-coordinate geometry to one Pt and eight Ga atoms. There are a spread of Ga–Ga bond distances ranging from 2.66–2.93 Å. In the eighth Ga site, Ga is bonded in a 3-coordinate geometry to three Pt and one Ga atom. In the ninth Ga site, Ga is bonded in a distorted trigonal non-coplanar geometry to three Pt and two Ga atoms. In the tenth Ga site, Ga is bonded in a 2-coordinate geometry to two Pt and two Ga atoms. In the eleventh Ga site, Ga is bonded in a 2-coordinate geometry to two Pt and two Ga atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on CeGa8Pd3 by Materials Project

CePd3Ga8 crystallizes in the trigonal R-3m space group. The structure is three-dimensional. Ce is bonded in a 12-coordinate geometry to six Pd and fourteen Ga atoms. There are four shorter (3.19 Å) and two longer (3.47 Å) Ce–Pd bond lengths. There are a spread of Ce–Ga bond distances ranging from 3.14–3.63 Å. There are three inequivalent Pd sites. In the first Pd site, Pd is bonded in a 6-coordinate geometry to three equivalent Ce and six Ga atoms. There are three shorter (2.59 Å) and three longer (2.68 Å) Pd–Ga bond lengths. In the second Pd site, Pd is bonded in a 10-coordinate geometry to two equivalent Ce and eight Ga atoms. There are a spread of Pd–Ga bond distances ranging from 2.62–2.71 Å. In the third Pd site, Pd is bonded in a cuboctahedral geometry to twelve Ga atoms. There are six shorter (2.81 Å) and six longer (2.87 Å) Pd–Ga bond lengths. There are eight inequivalent Ga sites. In the first Ga site, Ga is bonded in a 10-coordinate geometry to two equivalent Ce, three Pd, and five Ga atoms. There are a spread of Ga–Ga bond distances ranging from 2.68–2.74 Å. In the second Ga site, Ga is bonded in a 10-coordinate geometry to one Ce, three Pd, and six Ga atoms. The Ga–Ce bond length is 3.14 Å. There are two shorter (2.71 Å) and one longer (2.87 Å) Ga–Pd bond lengths. There are a spread of Ga–Ga bond distances ranging from 2.74–2.87 Å. In the third Ga site, Ga is bonded in a 10-coordinate geometry to one Ce, three Pd, and six Ga atoms. The Ga–Ce bond length is 3.14 Å. There are two shorter (2.71 Å) and one longer (2.87 Å) Ga–Pd bond lengths. There are two shorter (2.76 Å) and two longer (2.87 Å) Ga–Ga bond lengths. In the fourth Ga site, Ga is bonded in a 10-coordinate geometry to one Ce, three Pd, and six Ga atoms. There are a spread of Ga–Ga bond distances ranging from 2.74–2.87 Å. In the fifth Ga site, Ga is bonded in a 10-coordinate geometry to one Ce, three Pd, and six Ga atoms. Both Ga–Pd bond lengths are 2.71 Å. There are a spread of Ga–Ga bond distances ranging from 2.74–2.87 Å. In the sixth Ga site, Ga is bonded in a 10-coordinate geometry to one Ce, three Pd, and six Ga atoms. The Ga–Ce bond length is 3.14 Å. There are two shorter (2.76 Å) and one longer (2.87 Å) Ga–Ga bond lengths. In the seventh Ga site, Ga is bonded in a 3-coordinate geometry to three equivalent Ce, three Pd, and one Ga atom. In the eighth Ga site, Ga is bonded in a 3-coordinate geometry to one Ce, three Pd, and four Ga atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on Sm(Ga3Co)3 by Materials Project

Sm(CoGa3)3 crystallizes in the monoclinic C2/m space group. The structure is three-dimensional. Sm is bonded in a 12-coordinate geometry to thirteen Ga atoms. There are a spread of Sm–Ga bond distances ranging from 3.07–3.57 Å. There are three inequivalent Co sites. In the first Co site, Co is bonded in a 8-coordinate geometry to one Co and seven Ga atoms. The Co–Co bond length is 2.74 Å. There are a spread of Co–Ga bond distances ranging from 2.33–2.63 Å. In the second Co site, Co is bonded in a 9-coordinate geometry to two equivalent Co and seven Ga atoms. Both Co–Co bond lengths are 2.68 Å. There are a spread of Co–Ga bond distances ranging from 2.32–2.57 Å. In the third Co site, Co is bonded in a 11-coordinate geometry to three Co and eight Ga atoms. There are a spread of Co–Ga bond distances ranging from 2.54–2.98 Å. There are ten inequivalent Ga sites. In the first Ga site, Ga is bonded in a 6-coordinate geometry to two equivalent Sm, three Co, and two Ga atoms. There are one shorter (2.49 Å) and one longer (2.60 Å) Ga–Ga bond lengths. In the second Ga site, Ga is bonded in a 6-coordinate geometry to two equivalent Sm, two equivalent Co, and two Ga atoms. The Ga–Ga bond length is 2.56 Å. In the third Ga site, Ga is bonded in a 1-coordinate geometry to three Co and seven Ga atoms. There are a spread of Ga–Ga bond distances ranging from 2.61–2.86 Å. In the fourth Ga site, Ga is bonded in a 10-coordinate geometry to one Sm, two Co, and seven Ga atoms. There are a spread of Ga–Ga bond distances ranging from 2.81–2.92 Å. In the fifth Ga site, Ga is bonded in a 10-coordinate geometry to two equivalent Sm, two equivalent Co, and six Ga atoms. There are one shorter (2.61 Å) and two longer (2.74 Å) Ga–Ga bond lengths. In the sixth Ga site, Ga is bonded in a 11-coordinate geometry to two equivalent Sm, three Co, and six Ga atoms. There are one shorter (2.65 Å) and two longer (2.79 Å) Ga–Ga bond lengths. In the seventh Ga site, Ga is bonded in a 4-coordinate geometry to two equivalent Sm, two equivalent Co, and four equivalent Ga atoms. In the eighth Ga site, Ga is bonded in a 8-coordinate geometry to two equivalent Sm, two equivalent Co, and four equivalent Ga atoms. In the ninth Ga site, Ga is bonded in a 10-coordinate geometry to two equivalent Sm and eight Ga atoms. In the tenth Ga site, Ga is bonded in a 3-coordinate geometry to five Co atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on Er3Ga8Ni3 by Materials Project

Er3Ni3Ga8 is beta Plutonium-derived structured and crystallizes in the monoclinic Cm space group. The structure is three-dimensional. there are three inequivalent Er sites. In the first Er site, Er is bonded in a 9-coordinate geometry to four Ni and ten Ga atoms. There are two shorter (3.01 Å) and two longer (3.03 Å) Er–Ni bond lengths. There are a spread of Er–Ga bond distances ranging from 3.06–3.19 Å. In the second Er site, Er is bonded in a 10-coordinate geometry to two equivalent Ni and twelve Ga atoms. Both Er–Ni bond lengths are 3.16 Å. There are a spread of Er–Ga bond distances ranging from 2.98–3.18 Å. In the third Er site, Er is bonded in a 12-coordinate geometry to six Ni and ten Ga atoms. There are a spread of Er–Ni bond distances ranging from 3.01–3.19 Å. There are a spread of Er–Ga bond distances ranging from 3.05–3.51 Å. There are three inequivalent Ni sites. In the first Ni site, Ni is bonded in a 9-coordinate geometry to four Er, one Ni, and four Ga atoms. The Ni–Ni bond length is 2.45 Å. There are a spread of Ni–Ga bond distances ranging from 2.42–2.46 Å. In the second Ni site, Ni is bonded in a 5-coordinate geometry to four Er and five Ga atoms. There are a spread of Ni–Ga bond distances ranging from 2.33–2.45 Å. In the third Ni site, Ni is bonded in a 9-coordinate geometry to four Er, one Ni, and four Ga atoms. There are a spread of Ni–Ga bond distances ranging from 2.43–2.49 Å. There are eight inequivalent Ga sites. In the first Ga site, Ga is bonded in a 12-coordinate geometry to four Er, one Ni, and seven Ga atoms. There are a spread of Ga–Ga bond distances ranging from 2.61–2.89 Å. In the second Ga site, Ga is bonded in a 12-coordinate geometry to four Er, two Ni, and six Ga atoms. There are a spread of Ga–Ga bond distances ranging from 2.82–2.92 Å. In the third Ga site, Ga is bonded in a 2-coordinate geometry to four Er, two equivalent Ni, and four Ga atoms. There are one shorter (2.67 Å) and one longer (2.91 Å) Ga–Ga bond lengths. In the fourth Ga site, Ga is bonded in a 1-coordinate geometry to four Er, one Ni, and five Ga atoms. There are two shorter (2.65 Å) and one longer (2.87 Å) Ga–Ga bond lengths. In the fifth Ga site, Ga is bonded in a 3-coordinate geometry to four Er, three Ni, and three Ga atoms. The Ga–Ga bond length is 2.93 Å. In the sixth Ga site, Ga is bonded in a 3-coordinate geometry to four Er, three Ni, and three Ga atoms. The Ga–Ga bond length is 3.00 Å. In the seventh Ga site, Ga is bonded to four Er and eight Ga atoms to form face-sharing GaEr4Ga8 cuboctahedra. In the eighth Ga site, Ga is bonded in a 1-coordinate geometry to four Er, one Ni, and four Ga atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on Ho3(Ga2Cu)2 by Materials Project

Ho3(CuGa2)2 crystallizes in the trigonal P3m1 space group. The structure is three-dimensional. there are six inequivalent Ho sites. In the first Ho site, Ho is bonded in a 12-coordinate geometry to three equivalent Cu and nine Ga atoms. All Ho–Cu bond lengths are 2.91 Å. There are a spread of Ho–Ga bond distances ranging from 3.00–3.35 Å. In the second Ho site, Ho is bonded in a 12-coordinate geometry to three equivalent Cu and nine Ga atoms. All Ho–Cu bond lengths are 2.91 Å. There are a spread of Ho–Ga bond distances ranging from 3.00–3.35 Å. In the third Ho site, Ho is bonded in a 12-coordinate geometry to six Cu and six Ga atoms. There are three shorter (2.94 Å) and three longer (3.12 Å) Ho–Cu bond lengths. There are three shorter (3.01 Å) and three longer (3.35 Å) Ho–Ga bond lengths. In the fourth Ho site, Ho is bonded in a 12-coordinate geometry to six Cu and six Ga atoms. There are three shorter (2.95 Å) and three longer (3.13 Å) Ho–Cu bond lengths. There are three shorter (3.00 Å) and three longer (3.36 Å) Ho–Ga bond lengths. In the fifth Ho site, Ho is bonded in a 12-coordinate geometry to three equivalent Cu and nine Ga atoms. All Ho–Cu bond lengths are 3.15 Å. There are a spread of Ho–Ga bond distances ranging from 2.97–3.33 Å. In the sixth Ho site, Ho is bonded in a 12-coordinate geometry to three equivalent Cu and nine Ga atoms. All Ho–Cu bond lengths are 3.16 Å. There are a spread of Ho–Ga bond distances ranging from 2.96–3.33 Å. There are four inequivalent Cu sites. In the first Cu site, Cu is bonded in a 10-coordinate geometry to six Ho and four Ga atoms. There are three shorter (2.51 Å) and one longer (3.17 Å) Cu–Ga bond lengths. In the second Cu site, Cu is bonded in a 10-coordinate geometry to six Ho and four Ga atoms. There are three shorter (2.52 Å) and one longer (3.17 Å) Cu–Ga bond lengths. In the third Cu site, Cu is bonded in a 9-coordinate geometry to six Ho, three equivalent Cu, and one Ga atom. All Cu–Cu bond lengths are 2.51 Å. The Cu–Ga bond length is 3.23 Å. In the fourth Cu site, Cu is bonded in a 9-coordinate geometry to six Ho, three equivalent Cu, and one Ga atom. The Cu–Ga bond length is 3.24 Å. There are eight inequivalent Ga sites. In the first Ga site, Ga is bonded in a 9-coordinate geometry to six Ho and three equivalent Cu atoms. In the second Ga site, Ga is bonded in a 9-coordinate geometry to six Ho and three equivalent Cu atoms. In the third Ga site, Ga is bonded in a 6-coordinate geometry to six Ho, one Cu, and three equivalent Ga atoms. All Ga–Ga bond lengths are 2.56 Å. In the fourth Ga site, Ga is bonded in a 9-coordinate geometry to six Ho and three equivalent Ga atoms. All Ga–Ga bond lengths are 2.56 Å. In the fifth Ga site, Ga is bonded in a 9-coordinate geometry to six Ho and three equivalent Ga atoms. All Ga–Ga bond lengths are 2.56 Å. In the sixth Ga site, Ga is bonded in a 10-coordinate geometry to six Ho, one Cu, and three equivalent Ga atoms. In the seventh Ga site, Ga is bonded in a 10-coordinate geometry to six Ho, one Cu, and three equivalent Ga atoms. In the eighth Ga site, Ga is bonded in a 10-coordinate geometry to six Ho, one Cu, and three equivalent Ga atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on CeGa6Ni by Materials Project

CeNiGa6 crystallizes in the tetragonal P4/mmm space group. The structure is three-dimensional. Ce is bonded in a 8-coordinate geometry to sixteen Ga atoms. There are a spread of Ce–Ga bond distances ranging from 3.24–3.43 Å. There are two inequivalent Ni sites. In the first Ni site, Ni is bonded in a body-centered cubic geometry to eight Ga atoms. All Ni–Ga bond lengths are 2.51 Å. In the second Ni site, Ni is bonded in a body-centered cubic geometry to eight Ga atoms. All Ni–Ga bond lengths are 2.51 Å. There are eight inequivalent Ga sites. In the first Ga site, Ga is bonded in a 9-coordinate geometry to four equivalent Ce and five Ga atoms. There are one shorter (2.39 Å) and four longer (2.61 Å) Ga–Ga bond lengths. In the second Ga site, Ga is bonded in a 2-coordinate geometry to two equivalent Ce, two equivalent Ni, and seven Ga atoms. There are one shorter (2.65 Å) and four longer (3.02 Å) Ga–Ga bond lengths. In the third Ga site, Ga is bonded in a 2-coordinate geometry to two equivalent Ce, two equivalent Ni, and seven Ga atoms. The Ga–Ga bond length is 2.65 Å. In the fourth Ga site, Ga is bonded in a 2-coordinate geometry to two equivalent Ce, two equivalent Ni, and seven Ga atoms. Both Ga–Ce bond lengths are 3.41 Å. There are two shorter (2.61 Å) and four longer (3.02 Å) Ga–Ga bond lengths. In the fifth Ga site, Ga is bonded in a 2-coordinate geometry to two equivalent Ce, two equivalent Ni, and seven Ga atoms. Both Ga–Ce bond lengths are 3.41 Å. Both Ga–Ga bond lengths are 2.61 Å. In the sixth Ga site, Ga is bonded in a 9-coordinate geometry to four equivalent Ce and five Ga atoms. All Ga–Ga bond lengths are 2.59 Å. In the seventh Ga site, Ga is bonded in a 2-coordinate geometry to two equivalent Ce, two equivalent Ni, and seven Ga atoms. There are one shorter (2.62 Å) and four longer (3.02 Å) Ga–Ga bond lengths. In the eighth Ga site, Ga is bonded in a 2-coordinate geometry to two equivalent Ce, two equivalent Ni, and seven Ga atoms. The Ga–Ga bond length is 2.62 Å.

36 MATERIALS SCIENCE↗