Engineering Papers⌕ Search

SEARCH · Engineering Papers

Results for “Dy”

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 217 records · Page 12
All sourcesNASA NTRSDOE OSTI
DOE OSTI2020

Materials Data on Dy11S16 by Materials Project

Dy11S16 crystallizes in the orthorhombic P2_12_12 space group. The structure is three-dimensional. there are six inequivalent Dy sites. In the first Dy site, Dy is bonded in a 8-coordinate geometry to eight S atoms. There are a spread of Dy–S bond distances ranging from 2.73–3.17 Å. In the second Dy site, Dy is bonded in a 8-coordinate geometry to eight S atoms. There are a spread of Dy–S bond distances ranging from 2.77–3.14 Å. In the third Dy site, Dy is bonded in a 8-coordinate geometry to eight S atoms. There are a spread of Dy–S bond distances ranging from 2.75–3.02 Å. In the fourth Dy site, Dy is bonded in a 8-coordinate geometry to eight S atoms. There are a spread of Dy–S bond distances ranging from 2.74–3.23 Å. In the fifth Dy site, Dy is bonded in a 8-coordinate geometry to eight S atoms. There are a spread of Dy–S bond distances ranging from 2.72–3.15 Å. In the sixth Dy site, Dy is bonded in a 8-coordinate geometry to eight S atoms. There are a spread of Dy–S bond distances ranging from 2.75–3.03 Å. There are eight inequivalent S sites. In the first S site, S is bonded to five Dy atoms to form SDy5 trigonal bipyramids that share corners with ten SDy6 octahedra, corners with three SDy5 square pyramids, edges with three SDy6 octahedra, edges with two SDy5 square pyramids, edges with three SDy5 trigonal bipyramids, and faces with two SDy6 octahedra. The corner-sharing octahedra tilt angles range from 22–53°. In the second S site, S is bonded to five Dy atoms to form SDy5 trigonal bipyramids that share corners with eight SDy6 octahedra, corners with four SDy5 square pyramids, a cornercorner with one SDy5 trigonal bipyramid, edges with three SDy6 octahedra, edges with two SDy5 square pyramids, edges with three SDy5 trigonal bipyramids, and faces with two SDy6 octahedra. The corner-sharing octahedra tilt angles range from 23–53°. In the third S site, S is bonded to six Dy atoms to form distorted SDy6 octahedra that share corners with six SDy6 octahedra, corners with three SDy5 square pyramids, corners with six SDy5 trigonal bipyramids, edges with two SDy6 octahedra, edges with two equivalent SDy5 square pyramids, edges with two equivalent SDy5 trigonal bipyramids, faces with four SDy6 octahedra, and a faceface with one SDy5 square pyramid. The corner-sharing octahedra tilt angles range from 21–47°. In the fourth S site, S is bonded to six Dy atoms to form distorted SDy6 octahedra that share corners with eight SDy6 octahedra, corners with two SDy5 square pyramids, corners with five SDy5 trigonal bipyramids, edges with three SDy6 octahedra, an edgeedge with one SDy5 square pyramid, edges with two equivalent SDy5 trigonal bipyramids, faces with two SDy6 octahedra, and faces with three SDy5 square pyramids. The corner-sharing octahedra tilt angles range from 19–52°. In the fifth S site, S is bonded to five Dy atoms to form distorted SDy5 square pyramids that share corners with seven SDy6 octahedra, corners with six SDy5 square pyramids, corners with three SDy5 trigonal bipyramids, edges with three SDy6 octahedra, edges with two SDy5 trigonal bipyramids, and faces with three SDy6 octahedra. The corner-sharing octahedra tilt angles range from 12–50°. In the sixth S site, S is bonded to six Dy atoms to form distorted SDy6 octahedra that share corners with eight SDy6 octahedra, corners with five SDy5 square pyramids, corners with two SDy5 trigonal bipyramids, edges with four SDy6 octahedra, an edgeedge with one SDy5 square pyramid, an edgeedge with one SDy5 trigonal bipyramid, faces with two equivalent SDy6 octahedra, a faceface with one SDy5 square pyramid, and faces with two SDy5 trigonal bipyramids. The corner-sharing octahedra tilt angles range from 21–50°. In the seventh S site, S is bonded to five Dy atoms to form distorted SDy5 square pyramids that share corners with eight SDy6 octahedra, corners with four equivalent SDy5 square pyramids, corners with four SDy5 trigonal bipyramids, edges with three SDy6 octahedra, edges with two SDy5 trigonal bipyramids, faces with two SDy6 octahedra, and a faceface with one SDy5 square pyramid. The corner-sharing octahedra tilt angles range from 12–55°. In the eighth S site, S is bonded to six Dy atoms to form distorted SDy6 octahedra that share corners with five SDy6 octahedra, corners with five SDy5 square pyramids, corners with five SDy5 trigonal bipyramids, edges with three SDy6 octahedra, edges with two equivalent SDy5 square pyramids, an edgeedge with one SDy5 trigonal bipyramid, faces with three SDy6 octahedra, and faces with two SDy5 trigonal bipyramids. The corner-sharing octahedra tilt angles range from 26–50°.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on Dy3Ge4 by Materials Project

Dy3Ge4 crystallizes in the triclinic P1 space group. The structure is three-dimensional. there are six inequivalent Dy sites. In the first Dy site, Dy is bonded in a 8-coordinate geometry to eight Ge atoms. There are a spread of Dy–Ge bond distances ranging from 2.97–3.13 Å. In the second Dy site, Dy is bonded in a 8-coordinate geometry to eight Ge atoms. There are a spread of Dy–Ge bond distances ranging from 2.98–3.13 Å. In the third Dy site, Dy is bonded in a 8-coordinate geometry to eight Ge atoms. There are a spread of Dy–Ge bond distances ranging from 2.98–3.13 Å. In the fourth Dy site, Dy is bonded in a 8-coordinate geometry to eight Ge atoms. There are a spread of Dy–Ge bond distances ranging from 2.98–3.13 Å. In the fifth Dy site, Dy is bonded in a 5-coordinate geometry to seven Ge atoms. There are a spread of Dy–Ge bond distances ranging from 2.91–3.19 Å. In the sixth Dy site, Dy is bonded in a 5-coordinate geometry to seven Ge atoms. There are a spread of Dy–Ge bond distances ranging from 2.90–3.19 Å. There are eight inequivalent Ge sites. In the first Ge site, Ge is bonded in a 9-coordinate geometry to seven Dy and two Ge atoms. There are one shorter (2.62 Å) and one longer (2.63 Å) Ge–Ge bond lengths. In the second Ge site, Ge is bonded in a 9-coordinate geometry to seven Dy and two Ge atoms. There are one shorter (2.61 Å) and one longer (2.62 Å) Ge–Ge bond lengths. In the third Ge site, Ge is bonded in a 9-coordinate geometry to six Dy and three Ge atoms. There are one shorter (2.89 Å) and one longer (2.92 Å) Ge–Ge bond lengths. In the fourth Ge site, Ge is bonded in a 4-coordinate geometry to four Dy and four Ge atoms. There are one shorter (2.92 Å) and one longer (2.93 Å) Ge–Ge bond lengths. In the fifth Ge site, Ge is bonded in a 9-coordinate geometry to six Dy and three Ge atoms. There are one shorter (2.93 Å) and one longer (2.95 Å) Ge–Ge bond lengths. In the sixth Ge site, Ge is bonded in a 9-coordinate geometry to six Dy and three Ge atoms. In the seventh Ge site, Ge is bonded in a distorted square co-planar geometry to four Dy and four Ge atoms. There are one shorter (2.90 Å) and one longer (2.91 Å) Ge–Ge bond lengths. In the eighth Ge site, Ge is bonded in a 9-coordinate geometry to six Dy and three Ge atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on Dy6H40N8O49 by Materials Project

Dy6N8H32O45(H2O)4 crystallizes in the triclinic P-1 space group. The structure is zero-dimensional and consists of four water molecules and one Dy6N8H32O45 cluster. In the Dy6N8H32O45 cluster, there are three inequivalent Dy sites. In the first Dy site, Dy is bonded in a 9-coordinate geometry to nine O atoms. There are a spread of Dy–O bond distances ranging from 2.33–2.64 Å. In the second Dy site, Dy is bonded in a 9-coordinate geometry to nine O atoms. There are a spread of Dy–O bond distances ranging from 2.32–2.57 Å. In the third Dy site, Dy is bonded in a 9-coordinate geometry to nine O atoms. There are a spread of Dy–O bond distances ranging from 2.31–2.56 Å. There are four inequivalent N sites. In the first N site, N is bonded in a trigonal planar geometry to three O atoms. There is one shorter (1.25 Å) and two longer (1.28 Å) N–O bond length. In the second N site, N is bonded in a trigonal planar geometry to three O atoms. There are a spread of N–O bond distances ranging from 1.25–1.29 Å. In the third N site, N is bonded in a trigonal planar geometry to three O atoms. There are a spread of N–O bond distances ranging from 1.24–1.29 Å. In the fourth N site, N is bonded in a trigonal planar geometry to three O atoms. There is two shorter (1.26 Å) and one longer (1.29 Å) N–O bond length. There are sixteen inequivalent H sites. In the first H site, H is bonded in a single-bond geometry to one O atom. The H–O bond length is 1.00 Å. In the second H site, H is bonded in a single-bond geometry to one O atom. The H–O bond length is 0.98 Å. In the third H site, H is bonded in a single-bond geometry to one O atom. The H–O bond length is 0.98 Å. In the fourth H site, H is bonded in a single-bond geometry to one O atom. The H–O bond length is 0.99 Å. In the fifth H site, H is bonded in a single-bond geometry to one O atom. The H–O bond length is 0.98 Å. In the sixth H site, H is bonded in a single-bond geometry to two O atoms. There is one shorter (1.00 Å) and one longer (1.70 Å) H–O bond length. In the seventh H site, H is bonded in a single-bond geometry to one O atom. The H–O bond length is 0.98 Å. In the eighth H site, H is bonded in a single-bond geometry to one O atom. The H–O bond length is 0.98 Å. In the ninth H site, H is bonded in a single-bond geometry to one O atom. The H–O bond length is 0.98 Å. In the tenth H site, H is bonded in a single-bond geometry to one O atom. The H–O bond length is 0.98 Å. In the eleventh H site, H is bonded in a single-bond geometry to one O atom. The H–O bond length is 0.99 Å. In the twelfth H site, H is bonded in a single-bond geometry to one O atom. The H–O bond length is 0.99 Å. In the thirteenth H site, H is bonded in a single-bond geometry to one O atom. The H–O bond length is 0.98 Å. In the fourteenth H site, H is bonded in a single-bond geometry to one O atom. The H–O bond length is 1.00 Å. In the fifteenth H site, H is bonded in a single-bond geometry to one O atom. The H–O bond length is 0.98 Å. In the sixteenth H site, H is bonded in a single-bond geometry to one O atom. The H–O bond length is 0.98 Å. There are twenty-three inequivalent O sites. In the first O site, O is bonded in an octahedral geometry to six Dy atoms. In the second O site, O is bonded in a distorted single-bond geometry to three Dy and one H atom. In the third O site, O is bonded in a distorted single-bond geometry to three Dy and one H atom. In the fourth O site, O is bonded in a distorted single-bond geometry to three Dy and one H atom. In the fifth O site, O is bonded in a distorted single-bond geometry to three Dy and one H atom. In the sixth O site, O is bonded in a water-like geometry to one Dy and two H atoms. In the seventh O site, O is bonded in a water-like geometry to one Dy and two H atoms. In the eighth O site, O is bonded in a water-like geometry to one Dy and two H atoms. In the ninth O site, O is bonded in a water-like geometry to one Dy and two H atoms. In the tenth O site, O is bonded in a water-like geometry to one Dy and two H atoms. In the eleventh O site, O is bonded in a water-like geometry to one Dy and two H atoms. In the twelfth O site, O is bonded in a distorted water-like geometry to one Dy and one N atom. In the thirteenth O site, O is bonded in a distorted single-bond geometry to one Dy and one N atom. In the fourteenth O site, O is bonded in a single-bond geometry to one N atom. In the fifteenth O site, O is bonded in a distorted water-like geometry to one Dy and one N atom. In the sixteenth O site, O is bonded in a distorted single-bond geometry to one Dy and one N atom. In the seventeenth O site, O is bonded in a single-bond geometry to one N atom. In the eighteenth O site, O is bonded in a distorted water-like geometry to one Dy and one N atom. In the nineteenth O site, O is bonded in a distorted single-bond geometry to one Dy and one N atom. In the twentieth O site, O is bonded in a single-bond geometry to one N atom. In the twenty-first O site, O is bonded in a single-bond geometry to one N atom. In the twenty-second O site, O is bonded in a single-bond geometry to one N atom. In the twenty-third O site, O is bonded in a distorted bent 120 degrees geometry to one N and one H atom.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on DyCO4 by Materials Project

DyCO4 crystallizes in the hexagonal P-6 space group. The structure is three-dimensional. there are three inequivalent Dy sites. In the first Dy site, Dy is bonded in a 9-coordinate geometry to nine O atoms. There are a spread of Dy–O bond distances ranging from 2.33–2.54 Å. In the second Dy site, Dy is bonded in a 9-coordinate geometry to nine O atoms. There are a spread of Dy–O bond distances ranging from 2.33–2.60 Å. In the third Dy site, Dy is bonded in a 9-coordinate geometry to nine O atoms. There are a spread of Dy–O bond distances ranging from 2.35–2.56 Å. There are six inequivalent C sites. In the first C site, C is bonded in a trigonal planar geometry to three O atoms. There is two shorter (1.29 Å) and one longer (1.30 Å) C–O bond length. In the second C site, C is bonded in a trigonal planar geometry to three O atoms. All C–O bond lengths are 1.29 Å. In the third C site, C is bonded in a trigonal planar geometry to three O atoms. All C–O bond lengths are 1.29 Å. In the fourth C site, C is bonded in a trigonal planar geometry to three O atoms. All C–O bond lengths are 1.29 Å. In the fifth C site, C is bonded in a trigonal planar geometry to three O atoms. There is two shorter (1.29 Å) and one longer (1.30 Å) C–O bond length. In the sixth C site, C is bonded in a trigonal planar geometry to three O atoms. All C–O bond lengths are 1.29 Å. There are seventeen inequivalent O sites. In the first O site, O is bonded in a single-bond geometry to two equivalent Dy and one C atom. In the second O site, O is bonded in a distorted single-bond geometry to two Dy and one C atom. In the third O site, O is bonded in a distorted single-bond geometry to two equivalent Dy and one C atom. In the fourth O site, O is bonded in a distorted single-bond geometry to two Dy and one C atom. In the fifth O site, O is bonded in a distorted single-bond geometry to two equivalent Dy and one C atom. In the sixth O site, O is bonded in a distorted single-bond geometry to two Dy and one C atom. In the seventh O site, O is bonded in a distorted single-bond geometry to two equivalent Dy and one C atom. In the eighth O site, O is bonded in a distorted single-bond geometry to two Dy and one C atom. In the ninth O site, O is bonded in a distorted single-bond geometry to two equivalent Dy and one C atom. In the tenth O site, O is bonded in a distorted single-bond geometry to two Dy and one C atom. In the eleventh O site, O is bonded in a single-bond geometry to two equivalent Dy and one C atom. In the twelfth O site, O is bonded in a distorted single-bond geometry to two Dy and one C atom. In the thirteenth O site, O is bonded in a trigonal planar geometry to three equivalent Dy atoms. In the fourteenth O site, O is bonded in a trigonal planar geometry to three equivalent Dy atoms. In the fifteenth O site, O is bonded in a trigonal planar geometry to three equivalent Dy atoms. In the sixteenth O site, O is bonded in a trigonal non-coplanar geometry to three Dy atoms. In the seventeenth O site, O is bonded in a trigonal non-coplanar geometry to three Dy atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on DyCd6 by Materials Project

DyCd6 crystallizes in the orthorhombic Immm space group. The structure is three-dimensional. there are three inequivalent Dy sites. In the first Dy site, Dy is bonded in a 11-coordinate geometry to seventeen Cd atoms. There are a spread of Dy–Cd bond distances ranging from 3.29–3.65 Å. In the second Dy site, Dy is bonded in a 2-coordinate geometry to sixteen Cd atoms. There are a spread of Dy–Cd bond distances ranging from 3.28–3.66 Å. In the third Dy site, Dy is bonded in a 3-coordinate geometry to sixteen Cd atoms. There are a spread of Dy–Cd bond distances ranging from 3.27–3.61 Å. There are seventeen inequivalent Cd sites. In the first Cd site, Cd is bonded in a 10-coordinate geometry to three Dy and seven Cd atoms. There are a spread of Cd–Cd bond distances ranging from 2.74–3.11 Å. In the second Cd site, Cd is bonded in a 10-coordinate geometry to three Dy and seven Cd atoms. There are a spread of Cd–Cd bond distances ranging from 2.99–3.14 Å. In the third Cd site, Cd is bonded in a distorted q6 geometry to three Dy and six Cd atoms. There are a spread of Cd–Cd bond distances ranging from 2.91–3.04 Å. In the fourth Cd site, Cd is bonded in a 2-coordinate geometry to two equivalent Dy and nine Cd atoms. There are a spread of Cd–Cd bond distances ranging from 3.06–3.49 Å. In the fifth Cd site, Cd is bonded in a 10-coordinate geometry to three Dy and seven Cd atoms. There are a spread of Cd–Cd bond distances ranging from 2.93–3.14 Å. In the sixth Cd site, Cd is bonded in a 11-coordinate geometry to three Dy and eight Cd atoms. There are a spread of Cd–Cd bond distances ranging from 2.96–3.07 Å. In the seventh Cd site, Cd is bonded to two equivalent Dy and ten Cd atoms to form distorted CdDy2Cd10 cuboctahedra that share corners with two equivalent CdDy2Cd10 cuboctahedra, an edgeedge with one CdDy2Cd10 cuboctahedra, and faces with six CdDy3Cd9 cuboctahedra. There are a spread of Cd–Cd bond distances ranging from 2.84–3.36 Å. In the eighth Cd site, Cd is bonded to three Dy and nine Cd atoms to form a mixture of edge and face-sharing CdDy3Cd9 cuboctahedra. There are a spread of Cd–Cd bond distances ranging from 2.82–3.15 Å. In the ninth Cd site, Cd is bonded in a 8-coordinate geometry to one Dy and seven Cd atoms. There are a spread of Cd–Cd bond distances ranging from 2.72–3.00 Å. In the tenth Cd site, Cd is bonded to three Dy and nine Cd atoms to form a mixture of edge and face-sharing CdDy3Cd9 cuboctahedra. There are a spread of Cd–Cd bond distances ranging from 2.90–3.22 Å. In the eleventh Cd site, Cd is bonded to three Dy and nine Cd atoms to form a mixture of edge and face-sharing CdDy3Cd9 cuboctahedra. There are a spread of Cd–Cd bond distances ranging from 2.85–3.20 Å. In the twelfth Cd site, Cd is bonded to two equivalent Dy and ten Cd atoms to form distorted CdDy2Cd10 cuboctahedra that share corners with two equivalent CdDy2Cd10 cuboctahedra, an edgeedge with one CdDy2Cd10 cuboctahedra, and faces with six CdDy3Cd9 cuboctahedra. There are four shorter (3.11 Å) and two longer (3.39 Å) Cd–Cd bond lengths. In the thirteenth Cd site, Cd is bonded in a 10-coordinate geometry to three Dy and seven Cd atoms. The Cd–Cd bond length is 3.07 Å. In the fourteenth Cd site, Cd is bonded in a 11-coordinate geometry to two equivalent Dy and nine Cd atoms. The Cd–Cd bond length is 2.96 Å. In the fifteenth Cd site, Cd is bonded in a 12-coordinate geometry to two equivalent Dy and ten Cd atoms. In the sixteenth Cd site, Cd is bonded in a 11-coordinate geometry to two equivalent Dy and nine Cd atoms. The Cd–Cd bond length is 3.02 Å. In the seventeenth Cd site, Cd is bonded in a 10-coordinate geometry to three Dy and seven Cd atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on Dy4Zn5Ge6 by Materials Project

Dy4Zn5Ge6 crystallizes in the orthorhombic Cmc2_1 space group. The structure is three-dimensional. there are four inequivalent Dy sites. In the first Dy site, Dy is bonded in a 10-coordinate geometry to three Zn and seven Ge atoms. There are one shorter (3.10 Å) and two longer (3.24 Å) Dy–Zn bond lengths. There are a spread of Dy–Ge bond distances ranging from 3.00–3.18 Å. In the second Dy site, Dy is bonded to six Ge atoms to form a mixture of distorted edge and corner-sharing DyGe6 octahedra. The corner-sharing octahedral tilt angles are 45°. There are a spread of Dy–Ge bond distances ranging from 2.89–2.98 Å. In the third Dy site, Dy is bonded to six Ge atoms to form a mixture of distorted edge and corner-sharing DyGe6 octahedra. The corner-sharing octahedral tilt angles are 45°. There are a spread of Dy–Ge bond distances ranging from 2.94–3.04 Å. In the fourth Dy site, Dy is bonded in a 12-coordinate geometry to five Zn and seven Ge atoms. There are a spread of Dy–Zn bond distances ranging from 3.00–3.12 Å. There are a spread of Dy–Ge bond distances ranging from 3.03–3.46 Å. There are five inequivalent Zn sites. In the first Zn site, Zn is bonded in a 4-coordinate geometry to two equivalent Dy and four Ge atoms. There are a spread of Zn–Ge bond distances ranging from 2.56–2.73 Å. In the second Zn site, Zn is bonded in a 4-coordinate geometry to four Ge atoms. There are a spread of Zn–Ge bond distances ranging from 2.52–2.72 Å. In the third Zn site, Zn is bonded in a 4-coordinate geometry to two equivalent Dy and four Ge atoms. There are a spread of Zn–Ge bond distances ranging from 2.53–2.72 Å. In the fourth Zn site, Zn is bonded in a 4-coordinate geometry to two Dy and four Ge atoms. There are a spread of Zn–Ge bond distances ranging from 2.55–2.66 Å. In the fifth Zn site, Zn is bonded in a 4-coordinate geometry to two equivalent Dy and four Ge atoms. There are a spread of Zn–Ge bond distances ranging from 2.55–2.60 Å. There are six inequivalent Ge sites. In the first Ge site, Ge is bonded to three Dy and four Zn atoms to form distorted edge-sharing GeDy3Zn4 pentagonal bipyramids. In the second Ge site, Ge is bonded in a 8-coordinate geometry to six Dy, one Zn, and one Ge atom. The Ge–Ge bond length is 2.51 Å. In the third Ge site, Ge is bonded to three Dy and four Zn atoms to form distorted edge-sharing GeDy3Zn4 pentagonal bipyramids. In the fourth Ge site, Ge is bonded in a 9-coordinate geometry to six Dy, two Zn, and one Ge atom. In the fifth Ge site, Ge is bonded in a 9-coordinate geometry to four Dy and five Zn atoms. In the sixth Ge site, Ge is bonded in a 7-coordinate geometry to four Dy and four Zn atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on Dy6Se11 by Materials Project

Dy6Se11 crystallizes in the triclinic P1 space group. The structure is three-dimensional. there are twenty-four inequivalent Dy3+ sites. In the first Dy3+ site, Dy3+ is bonded in a 9-coordinate geometry to nine Se+1.64- atoms. There are a spread of Dy–Se bond distances ranging from 2.98–3.14 Å. In the second Dy3+ site, Dy3+ is bonded in a 8-coordinate geometry to eight Se+1.64- atoms. There are a spread of Dy–Se bond distances ranging from 2.96–3.00 Å. In the third Dy3+ site, Dy3+ is bonded in a 8-coordinate geometry to eight Se+1.64- atoms. There are a spread of Dy–Se bond distances ranging from 2.94–3.03 Å. In the fourth Dy3+ site, Dy3+ is bonded in a distorted pentagonal bipyramidal geometry to seven Se+1.64- atoms. There are a spread of Dy–Se bond distances ranging from 2.89–2.99 Å. In the fifth Dy3+ site, Dy3+ is bonded in a 8-coordinate geometry to eight Se+1.64- atoms. There are a spread of Dy–Se bond distances ranging from 2.93–3.00 Å. In the sixth Dy3+ site, Dy3+ is bonded in a 9-coordinate geometry to nine Se+1.64- atoms. There are a spread of Dy–Se bond distances ranging from 2.95–3.13 Å. In the seventh Dy3+ site, Dy3+ is bonded in a 9-coordinate geometry to nine Se+1.64- atoms. There are a spread of Dy–Se bond distances ranging from 2.94–3.13 Å. In the eighth Dy3+ site, Dy3+ is bonded in a 9-coordinate geometry to nine Se+1.64- atoms. There are a spread of Dy–Se bond distances ranging from 2.94–3.25 Å. In the ninth Dy3+ site, Dy3+ is bonded in a 9-coordinate geometry to nine Se+1.64- atoms. There are a spread of Dy–Se bond distances ranging from 2.93–3.08 Å. In the tenth Dy3+ site, Dy3+ is bonded in a 8-coordinate geometry to eight Se+1.64- atoms. There are a spread of Dy–Se bond distances ranging from 2.95–2.99 Å. In the eleventh Dy3+ site, Dy3+ is bonded in a pentagonal bipyramidal geometry to seven Se+1.64- atoms. There are a spread of Dy–Se bond distances ranging from 2.87–2.93 Å. In the twelfth Dy3+ site, Dy3+ is bonded in a 8-coordinate geometry to eight Se+1.64- atoms. There are a spread of Dy–Se bond distances ranging from 2.94–3.08 Å. In the thirteenth Dy3+ site, Dy3+ is bonded in a 9-coordinate geometry to nine Se+1.64- atoms. There are a spread of Dy–Se bond distances ranging from 2.95–3.25 Å. In the fourteenth Dy3+ site, Dy3+ is bonded in a 9-coordinate geometry to nine Se+1.64- atoms. There are a spread of Dy–Se bond distances ranging from 2.95–3.20 Å. In the fifteenth Dy3+ site, Dy3+ is bonded in a pentagonal bipyramidal geometry to seven Se+1.64- atoms. There are a spread of Dy–Se bond distances ranging from 2.86–2.95 Å. In the sixteenth Dy3+ site, Dy3+ is bonded in a 8-coordinate geometry to eight Se+1.64- atoms. There are a spread of Dy–Se bond distances ranging from 2.93–3.03 Å. In the seventeenth Dy3+ site, Dy3+ is bonded in a 9-coordinate geometry to nine Se+1.64- atoms. There are a spread of Dy–Se bond distances ranging from 2.95–3.18 Å. In the eighteenth Dy3+ site, Dy3+ is bonded in a 8-coordinate geometry to eight Se+1.64- atoms. There are a spread of Dy–Se bond distances ranging from 2.92–3.00 Å. In the nineteenth Dy3+ site, Dy3+ is bonded in a 8-coordinate geometry to eight Se+1.64- atoms. There are a spread of Dy–Se bond distances ranging from 2.92–3.03 Å. In the twentieth Dy3+ site, Dy3+ is bonded in a 8-coordinate geometry to eight Se+1.64- atoms. There are a spread of Dy–Se bond distances ranging from 2.92–3.03 Å. In the twenty-first Dy3+ site, Dy3+ is bonded in a 9-coordinate geometry to nine Se+1.64- atoms. There are a spread of Dy–Se bond distances ranging from 2.96–3.12 Å. In the twenty-second Dy3+ site, Dy3+ is bonded in a 8-coordinate geometry to eight Se+1.64- atoms. There are a spread of Dy–Se bond distances ranging from 2.97–3.04 Å. In the twenty-third Dy3+ site, Dy3+ is bonded in a 8-coordinate geometry to eight Se+1.64- atoms. There are a spread of Dy–Se bond distances ranging from 2.92–3.01 Å. In the twenty-fourth Dy3+ site, Dy3+ is bonded in a 8-coordinate geometry to eight Se+1.64- atoms. There are a spread of Dy–Se bond distances ranging from 2.93–3.05 Å. There are forty-four inequivalent Se+1.64- sites. In the first Se+1.64- site, Se+1.64- is bonded in a 4-coordinate geometry to four Dy3+ atoms. In the second Se+1.64- site, Se+1.64- is bonded to five Dy3+ atoms to form a mixture of distorted edge and corner-sharing SeDy5 trigonal bipyramids. In the third Se+1.64- site, Se+1.64- is bonded to five Dy3+ atoms to form a mixture of distorted edge and corner-sharing SeDy5 trigonal bipyramids. In the fourth Se+1.64- site, Se+1.64- is bonded to five Dy3+ atoms to form a mixture of distorted edge and corner-sharing SeDy5 trigonal bipyramids. In the fifth Se+1.64- site, Se+1.64- is bonded in a 5-coordinate geometry to five Dy3+ atoms. In the sixth Se+1.64- site, Se+1.64- is bonded to five Dy3+ atoms to form a mixture of distorted edge and corner-sharing SeDy5 trigonal bipyramids. In the seventh Se+1.64- site, Se+1.64- is bonded to five Dy3+ atoms to form a mixture of distorted edge and corner-sharing SeDy5 trigonal bipyramids. In the eighth Se+1.64- site, Se+1.64- is bonded in a 4-coordinate geometry to three Dy3+ and one Se+1.64- atom. The Se–Se bond length is 2.46 Å. In the ninth Se+1.64- site, Se+1.64- is bonded in a 4-coordinate geometry to four Dy3+ and one Se+1.64- atom. The Se–Se bond length is 2.55 Å. In the tenth Se+1.64- site, Se+1.64- is bonded in a 4-coordinate geometry to four Dy3+ atoms. In the eleventh Se+1.64- site, Se+1.64- is bonded in a 6-coordinate geometry to four Dy3+ atoms. In the twelfth Se+1.64- site, Se+1.64- is bonded in a 4-coordinate geometry to four Dy3+ and one Se+1.64- atom. In the thirteenth Se+1.64- site, Se+1.64- is bonded in a 4-coordinate geometry to four Dy3+ and one Se+1.64- atom. The Se–Se bond length is 2.84 Å. In the fourteenth Se+1.64- site, Se+1.64- is bonded to five Dy3+ atoms to form a mixture of distorted edge and corner-sharing SeDy5 trigonal bipyramids. In the fifteenth Se+1.64- site, Se+1.64- is bonded to five Dy3+ atoms to form a mixture of distorted edge and corner-sharing SeDy5 trigonal bipyramids. In the sixteenth Se+1.64- site, Se+1.64- is bonded to five Dy3+ atoms to form a mixture of distorted edge and corner-sharing SeDy5 trigonal bipyramids. In the seventeenth Se+1.64- site, Se+1.64- is bonded to five Dy3+ atoms to form a mixture of distorted edge and corner-sharing SeDy5 trigonal bipyramids. In the eighteenth Se+1.64- site, Se+1.64- is bonded to five Dy3+ atoms to form a mixture of distorted edge and corner-sharing SeDy5 trigonal bipyramids. In the nineteenth Se+1.64- site, Se+1.64- is bonded to five Dy3+ atoms to form a mixture of distorted edge and corner-sharing SeDy5 trigonal bipyramids. In the twentieth Se+1.64- site, Se+1.64- is bonded in a 4-coordinate geometry to four Dy3+ atoms. In the twenty-first Se+1.64- site, Se+1.64- is bonded in a 6-coordinate geometry to four Dy3+ and two Se+1.64- atoms. The Se–Se bond length is 2.54 Å. In the twenty-second Se+1.64- site, Se+1.64- is bonded in a 6-coordinate geometry to four Dy3+ atoms. In the twenty-third Se+1.64- site, Se+1.64- is bonded in a 2-coordinate geometry to four Dy3+ and one Se+1.64- atom. In the twenty-fourth Se+1.64- site, Se+1.64- is bonded in a 4-coordinate geometry to four Dy3+ and one Se+1.64- atom. The Se–Se bond length is 2.85 Å. In the twenty-fifth Se+1.64- site, Se+1.64- is bonded to five Dy3+ atoms to form a mixture of distorted edge and corner-sharing SeDy5 trigonal bipyramids. In the twenty-sixth Se+1.64- site, Se+1.64- is bonded to five Dy3+ atoms to form a mixture of distorted edge and corner-sharing SeDy5 trigonal bipyramids. In the twenty-seventh Se+1.64- site, Se+1.64- is bonded to five Dy3+ atoms to form a mixture of distorted edge and corner-sharing SeDy5 trigonal bipyramids. In the twenty-eighth Se+1.64- site, Se+1.64- is bonded to five Dy3+ atoms to form a mixture of distorted edge and corner-sharing SeDy5 trigonal bipyramids. In the twenty-ninth Se+1.64- site, Se+1.64- is bonded to five Dy3+ atoms to form a mixture of distorted edge and corner-sharing SeDy5 trigonal bipyramids. In the thirtieth Se+1.64- site, Se+1.64- is bonded in a 5-coordinate geometry to five Dy3+ atoms. In the thirty-first Se+1.64- site, Se+1.64- is bonded in a 6-coordinate geometry to four Dy3+ and two Se+1.64- atoms. The Se–Se bond length is 2.53 Å. In the thirty-second Se+1.64- site, Se+1.64- is bonded in a 4-coordinate geometry to four Dy3+ atoms. In the thirty-third Se+1.64- site, Se+1.64- is bonded in a 4-coordinate geometry to four Dy3+ and one Se+1.64- atom. In the thirty-fourth Se+1.64- site, Se+1.64- is bonded in a 6-coordinate geometry to four Dy3+ atoms. In the thirty-fifth Se+1.64- site, Se+1.64- is bonded in a 4-coordinate geometry to four Dy3+ atoms. In the thirty-sixth Se+1.64- site, Se+1.64- is bonded to five Dy3+ atoms to form a mixture of distorted edge and corner-sharing SeDy5 trigonal bipyramids. In the thirty-seventh Se+1.64- site, Se+1.64- is bonded to five Dy3+ atoms to form a mixture of distorted edge and corner-sharing SeDy5 trigonal bipyramids. In the thirty-eighth Se+1.64- site, Se+1.64- is bonded in a 5-coordinate geometry to five Dy3+ atoms. In the thirty-ninth Se+1.64- site, Se+1.64- is bonded in a 5-coordinate geometry to five Dy3+ atoms. In the fortieth Se+1.64- site, Se+1.64- is bonded to five Dy3+ atoms to form a mixture of distorted edge and corner-sharing SeDy5 trigonal bipyramids. In the forty-first Se+1.64- site, Se+1.64- is bonded to five Dy3+ atoms to form a mixture of distorted edge and corner-sharing SeDy5 trigonal bipyramids. In the forty-second Se+1.64- site, Se+1.64- is bonded in a 4-coordinate geometry to four Dy3+ atoms. In the forty-third Se+1.64- site, Se+1.64- is bonded in a 4-coordinate geometry to four Dy3+ atoms. In the forty-fourth Se+1.64- site, Se+1.64- is bonded in a 4-coordinate geometry to three Dy3+ and one Se+1.64- atom.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on Dy2(Ni2B)5 by Materials Project

Dy2(Ni2B)5 crystallizes in the orthorhombic Pbca space group. The structure is three-dimensional. there are two inequivalent Dy sites. In the first Dy site, Dy is bonded in a 2-coordinate geometry to fourteen Ni and five B atoms. There are a spread of Dy–Ni bond distances ranging from 2.80–3.16 Å. There are a spread of Dy–B bond distances ranging from 2.72–3.03 Å. In the second Dy site, Dy is bonded in a 4-coordinate geometry to fifteen Ni and three B atoms. There are a spread of Dy–Ni bond distances ranging from 2.76–3.34 Å. There are two shorter (2.74 Å) and one longer (2.86 Å) Dy–B bond lengths. There are ten inequivalent Ni sites. In the first Ni site, Ni is bonded in a 3-coordinate geometry to three equivalent Dy and three B atoms. There are a spread of Ni–B bond distances ranging from 1.96–2.06 Å. In the second Ni site, Ni is bonded in a 2-coordinate geometry to three Dy and three B atoms. There are a spread of Ni–B bond distances ranging from 2.03–2.14 Å. In the third Ni site, Ni is bonded in a 4-coordinate geometry to two Dy and three B atoms. There are a spread of Ni–B bond distances ranging from 2.06–2.10 Å. In the fourth Ni site, Ni is bonded in a 12-coordinate geometry to three Dy and three B atoms. There are a spread of Ni–B bond distances ranging from 2.03–2.06 Å. In the fifth Ni site, Ni is bonded in a 3-coordinate geometry to three equivalent Dy and three B atoms. There are a spread of Ni–B bond distances ranging from 1.92–2.19 Å. In the sixth Ni site, Ni is bonded in a 4-coordinate geometry to two Dy and four B atoms. There are a spread of Ni–B bond distances ranging from 2.06–2.15 Å. In the seventh Ni site, Ni is bonded in a 4-coordinate geometry to three Dy and four B atoms. There are two shorter (2.05 Å) and two longer (2.09 Å) Ni–B bond lengths. In the eighth Ni site, Ni is bonded in a 3-coordinate geometry to three equivalent Dy and three B atoms. There are a spread of Ni–B bond distances ranging from 2.02–2.09 Å. In the ninth Ni site, Ni is bonded in a 2-coordinate geometry to four Dy and three B atoms. There are a spread of Ni–B bond distances ranging from 2.04–2.13 Å. In the tenth Ni site, Ni is bonded in a 1-coordinate geometry to three equivalent Dy and two B atoms. There are one shorter (2.01 Å) and one longer (2.22 Å) Ni–B bond lengths. There are five inequivalent B sites. In the first B site, B is bonded in a 7-coordinate geometry to two equivalent Dy, six Ni, and one B atom. The B–B bond length is 1.73 Å. In the second B site, B is bonded in a 8-coordinate geometry to one Dy, six Ni, and one B atom. In the third B site, B is bonded in a 9-coordinate geometry to two equivalent Dy, six Ni, and one B atom. The B–B bond length is 1.90 Å. In the fourth B site, B is bonded in a 7-coordinate geometry to one Dy and seven Ni atoms. In the fifth B site, B is bonded in a 9-coordinate geometry to two equivalent Dy, six Ni, and one B atom.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on Dy2Fe12P7 by Materials Project

Dy2Fe12P7 crystallizes in the monoclinic Pm space group. The structure is three-dimensional. there are two inequivalent Dy sites. In the first Dy site, Dy is bonded in a 12-coordinate geometry to twelve Fe and six P atoms. There are a spread of Dy–Fe bond distances ranging from 2.98–3.15 Å. All Dy–P bond lengths are 2.86 Å. In the second Dy site, Dy is bonded in a 12-coordinate geometry to nine Fe and six P atoms. There are six shorter (2.96 Å) and three longer (3.08 Å) Dy–Fe bond lengths. All Dy–P bond lengths are 2.82 Å. There are twelve inequivalent Fe sites. In the first Fe site, Fe is bonded to three Dy and four P atoms to form a mixture of distorted corner, edge, and face-sharing FeDy3P4 tetrahedra. There are a spread of Fe–P bond distances ranging from 2.24–2.29 Å. In the second Fe site, Fe is bonded to three Dy and four P atoms to form a mixture of distorted corner, edge, and face-sharing FeDy3P4 tetrahedra. There are a spread of Fe–P bond distances ranging from 2.25–2.28 Å. In the third Fe site, Fe is bonded to three Dy and four P atoms to form a mixture of distorted corner, edge, and face-sharing FeDy3P4 tetrahedra. There are a spread of Fe–P bond distances ranging from 2.24–2.28 Å. In the fourth Fe site, Fe is bonded to one Dy and four P atoms to form a mixture of distorted corner, edge, and face-sharing FeDyP4 tetrahedra. There are a spread of Fe–P bond distances ranging from 2.14–2.28 Å. In the fifth Fe site, Fe is bonded to one Dy and four P atoms to form a mixture of distorted corner, edge, and face-sharing FeDyP4 tetrahedra. There are a spread of Fe–P bond distances ranging from 2.14–2.28 Å. In the sixth Fe site, Fe is bonded to one Dy and four P atoms to form a mixture of distorted corner, edge, and face-sharing FeDyP4 tetrahedra. There are a spread of Fe–P bond distances ranging from 2.14–2.28 Å. In the seventh Fe site, Fe is bonded to three Dy and four P atoms to form a mixture of distorted corner, edge, and face-sharing FeDy3P4 tetrahedra. There are a spread of Fe–P bond distances ranging from 2.26–2.31 Å. In the eighth Fe site, Fe is bonded to three Dy and four P atoms to form a mixture of distorted corner, edge, and face-sharing FeDy3P4 tetrahedra. There are three shorter (2.26 Å) and one longer (2.31 Å) Fe–P bond lengths. In the ninth Fe site, Fe is bonded to three Dy and four P atoms to form a mixture of distorted corner, edge, and face-sharing FeDy3P4 tetrahedra. There are a spread of Fe–P bond distances ranging from 2.26–2.31 Å. In the tenth Fe site, Fe is bonded in a 5-coordinate geometry to five P atoms. There are a spread of Fe–P bond distances ranging from 2.26–2.53 Å. In the eleventh Fe site, Fe is bonded in a 5-coordinate geometry to five P atoms. There are a spread of Fe–P bond distances ranging from 2.27–2.54 Å. In the twelfth Fe site, Fe is bonded in a 5-coordinate geometry to five P atoms. There are a spread of Fe–P bond distances ranging from 2.27–2.53 Å. There are seven inequivalent P sites. In the first P site, P is bonded in a 9-coordinate geometry to two equivalent Dy and seven Fe atoms. In the second P site, P is bonded in a 9-coordinate geometry to two equivalent Dy and seven Fe atoms. In the third P site, P is bonded in a 9-coordinate geometry to two equivalent Dy and seven Fe atoms. In the fourth P site, P is bonded in a 9-coordinate geometry to two equivalent Dy and seven Fe atoms. In the fifth P site, P is bonded in a 9-coordinate geometry to two equivalent Dy and seven Fe atoms. In the sixth P site, P is bonded in a 9-coordinate geometry to two equivalent Dy and seven Fe atoms. In the seventh P site, P is bonded in a 3-coordinate geometry to nine Fe atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on Dy12Co7 by Materials Project

Dy12Co7 crystallizes in the monoclinic P2_1/c space group. The structure is three-dimensional. there are six inequivalent Dy sites. In the first Dy site, Dy is bonded in a 4-coordinate geometry to four Co atoms. There are a spread of Dy–Co bond distances ranging from 2.76–2.96 Å. In the second Dy site, Dy is bonded in a 4-coordinate geometry to four Co atoms. There are a spread of Dy–Co bond distances ranging from 2.80–3.04 Å. In the third Dy site, Dy is bonded to four Co atoms to form distorted corner-sharing DyCo4 tetrahedra. There are a spread of Dy–Co bond distances ranging from 2.71–3.00 Å. In the fourth Dy site, Dy is bonded in a 5-coordinate geometry to five Co atoms. There are a spread of Dy–Co bond distances ranging from 2.81–3.39 Å. In the fifth Dy site, Dy is bonded in a 5-coordinate geometry to five Co atoms. There are a spread of Dy–Co bond distances ranging from 2.74–3.12 Å. In the sixth Dy site, Dy is bonded in a 5-coordinate geometry to five Co atoms. There are a spread of Dy–Co bond distances ranging from 2.89–3.09 Å. There are four inequivalent Co sites. In the first Co site, Co is bonded in a body-centered cubic geometry to eight Dy atoms. In the second Co site, Co is bonded in a 10-coordinate geometry to seven Dy and one Co atom. The Co–Co bond length is 2.31 Å. In the third Co site, Co is bonded in a 9-coordinate geometry to eight Dy and one Co atom. In the fourth Co site, Co is bonded in a 8-coordinate geometry to eight Dy atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on Dy3(Ge3Pt2)2 by Materials Project

Dy3(Pt2Ge3)2 crystallizes in the orthorhombic Pnma space group. The structure is three-dimensional. there are three inequivalent Dy sites. In the first Dy site, Dy is bonded in a 12-coordinate geometry to six Pt and eight Ge atoms. There are a spread of Dy–Pt bond distances ranging from 3.19–3.30 Å. There are six shorter (3.04 Å) and two longer (3.10 Å) Dy–Ge bond lengths. In the second Dy site, Dy is bonded in a 12-coordinate geometry to six Pt and nine Ge atoms. There are four shorter (3.27 Å) and two longer (3.34 Å) Dy–Pt bond lengths. There are a spread of Dy–Ge bond distances ranging from 3.24–3.42 Å. In the third Dy site, Dy is bonded in a 6-coordinate geometry to six Pt and nine Ge atoms. There are a spread of Dy–Pt bond distances ranging from 3.29–3.38 Å. There are a spread of Dy–Ge bond distances ranging from 3.21–3.41 Å. There are four inequivalent Pt sites. In the first Pt site, Pt is bonded in a 5-coordinate geometry to four Dy and five Ge atoms. There are a spread of Pt–Ge bond distances ranging from 2.42–2.53 Å. In the second Pt site, Pt is bonded in a 10-coordinate geometry to five Dy and five Ge atoms. There are a spread of Pt–Ge bond distances ranging from 2.48–2.67 Å. In the third Pt site, Pt is bonded in a 10-coordinate geometry to five Dy and five Ge atoms. There are a spread of Pt–Ge bond distances ranging from 2.48–2.68 Å. In the fourth Pt site, Pt is bonded in a 9-coordinate geometry to four Dy and five Ge atoms. There are a spread of Pt–Ge bond distances ranging from 2.46–2.52 Å. There are six inequivalent Ge sites. In the first Ge site, Ge is bonded in a 4-coordinate geometry to four Dy and four Pt atoms. In the second Ge site, Ge is bonded in a 3-coordinate geometry to six Dy and three Pt atoms. In the third Ge site, Ge is bonded in a distorted trigonal planar geometry to four Dy and three Pt atoms. In the fourth Ge site, Ge is bonded in a 8-coordinate geometry to four Dy, three Pt, and one Ge atom. The Ge–Ge bond length is 2.60 Å. In the fifth Ge site, Ge is bonded in a 4-coordinate geometry to four Dy and four Pt atoms. In the sixth Ge site, Ge is bonded in a 8-coordinate geometry to four Dy, three Pt, and one Ge atom.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on Dy4Ga21Ni10 by Materials Project

Dy4Ni10Ga21 crystallizes in the monoclinic C2/m space group. The structure is three-dimensional. there are two inequivalent Dy sites. In the first Dy site, Dy is bonded in a 7-coordinate geometry to four Ni and eleven Ga atoms. There are two shorter (3.11 Å) and two longer (3.18 Å) Dy–Ni bond lengths. There are a spread of Dy–Ga bond distances ranging from 2.88–3.42 Å. In the second Dy site, Dy is bonded in a 2-coordinate geometry to four Ni and eleven Ga atoms. There are two shorter (3.01 Å) and two longer (3.11 Å) Dy–Ni bond lengths. There are a spread of Dy–Ga bond distances ranging from 2.89–3.47 Å. There are five inequivalent Ni sites. In the first Ni site, Ni is bonded in a 10-coordinate geometry to two equivalent Dy, one Ni, and seven Ga atoms. The Ni–Ni bond length is 2.77 Å. There are a spread of Ni–Ga bond distances ranging from 2.39–2.59 Å. In the second Ni site, Ni is bonded in a 9-coordinate geometry to nine Ga atoms. There are a spread of Ni–Ga bond distances ranging from 2.48–2.60 Å. In the third Ni site, Ni is bonded in a 10-coordinate geometry to two equivalent Dy, one Ni, and seven Ga atoms. There are a spread of Ni–Ga bond distances ranging from 2.46–2.58 Å. In the fourth Ni site, Ni is bonded in a 9-coordinate geometry to two equivalent Dy and seven Ga atoms. There are a spread of Ni–Ga bond distances ranging from 2.37–2.57 Å. In the fifth Ni site, Ni is bonded in a 10-coordinate geometry to two equivalent Dy and eight Ga atoms. There are a spread of Ni–Ga bond distances ranging from 2.46–2.73 Å. There are eleven inequivalent Ga sites. In the first Ga site, Ga is bonded in a 4-coordinate geometry to one Dy, four Ni, and five Ga atoms. There are a spread of Ga–Ga bond distances ranging from 2.76–2.88 Å. In the second Ga site, Ga is bonded in a 5-coordinate geometry to two equivalent Dy, three Ni, and one Ga atom. The Ga–Ga bond length is 2.66 Å. In the third Ga site, Ga is bonded in a 10-coordinate geometry to three Dy, three Ni, and three Ga atoms. There are one shorter (2.69 Å) and two longer (2.91 Å) Ga–Ga bond lengths. In the fourth Ga site, Ga is bonded in a 3-coordinate geometry to one Dy, four Ni, and six Ga atoms. There are a spread of Ga–Ga bond distances ranging from 2.67–2.91 Å. In the fifth Ga site, Ga is bonded in a 12-coordinate geometry to three Dy, four Ni, and five Ga atoms. In the sixth Ga site, Ga is bonded in a 5-coordinate geometry to two Dy, five Ni, and two Ga atoms. The Ga–Ga bond length is 2.81 Å. In the seventh Ga site, Ga is bonded in a 5-coordinate geometry to two equivalent Dy, three Ni, and two Ga atoms. There are one shorter (2.62 Å) and one longer (2.79 Å) Ga–Ga bond lengths. In the eighth Ga site, Ga is bonded in a 1-coordinate geometry to two Dy, three Ni, and four Ga atoms. There are two shorter (2.93 Å) and two longer (3.10 Å) Ga–Ga bond lengths. In the ninth Ga site, Ga is bonded in a 12-coordinate geometry to four equivalent Ni and eight Ga atoms. In the tenth Ga site, Ga is bonded in a 12-coordinate geometry to three equivalent Dy, three equivalent Ni, and six Ga atoms. Both Ga–Ga bond lengths are 2.89 Å. In the eleventh Ga site, Ga is bonded in a 12-coordinate geometry to three equivalent Dy, four Ni, and five Ga atoms. Both Ga–Ga bond lengths are 2.95 Å.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on DyGePd by Materials Project

DyPdGe crystallizes in the orthorhombic Imm2 space group. The structure is three-dimensional. there are four inequivalent Dy sites. In the first Dy site, Dy is bonded in a 12-coordinate geometry to six Pd and six Ge atoms. There are two shorter (3.12 Å) and four longer (3.13 Å) Dy–Pd bond lengths. There are four shorter (3.10 Å) and two longer (3.21 Å) Dy–Ge bond lengths. In the second Dy site, Dy is bonded in a 12-coordinate geometry to six Pd and six Ge atoms. There are a spread of Dy–Pd bond distances ranging from 2.96–3.21 Å. There are a spread of Dy–Ge bond distances ranging from 3.04–3.27 Å. In the third Dy site, Dy is bonded in a 12-coordinate geometry to six Pd and six Ge atoms. There are two shorter (3.22 Å) and four longer (3.25 Å) Dy–Pd bond lengths. There are two shorter (3.00 Å) and four longer (3.02 Å) Dy–Ge bond lengths. In the fourth Dy site, Dy is bonded in a 12-coordinate geometry to six Pd and six Ge atoms. There are a spread of Dy–Pd bond distances ranging from 3.05–3.15 Å. There are a spread of Dy–Ge bond distances ranging from 3.09–3.23 Å. There are three inequivalent Pd sites. In the first Pd site, Pd is bonded in a 10-coordinate geometry to six Dy and four Ge atoms. There are a spread of Pd–Ge bond distances ranging from 2.58–2.76 Å. In the second Pd site, Pd is bonded in a 10-coordinate geometry to six Dy and four Ge atoms. There are a spread of Pd–Ge bond distances ranging from 2.57–2.93 Å. In the third Pd site, Pd is bonded in a 10-coordinate geometry to six Dy, one Pd, and three Ge atoms. The Pd–Pd bond length is 3.04 Å. There are two shorter (2.56 Å) and one longer (2.58 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 Dy, three Pd, 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 Dy and four Pd atoms. In the third Ge site, Ge is bonded in a 10-coordinate geometry to six Dy and four Pd atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on Dy6N8O33 by Materials Project

Dy6N8O33 crystallizes in the triclinic P-1 space group. The structure is one-dimensional and consists of one Dy6N8O33 ribbon oriented in the (1, 0, 0) direction. there are three inequivalent Dy sites. In the first Dy site, Dy is bonded in a 7-coordinate geometry to seven O atoms. There are a spread of Dy–O bond distances ranging from 2.23–2.57 Å. In the second Dy site, Dy is bonded in a 6-coordinate geometry to eight O atoms. There are a spread of Dy–O bond distances ranging from 2.23–3.18 Å. In the third Dy site, Dy is bonded in a 8-coordinate geometry to eight O atoms. There are a spread of Dy–O bond distances ranging from 2.23–2.55 Å. There are four inequivalent N sites. In the first N site, N is bonded in a trigonal planar geometry to three O atoms. There is two shorter (1.25 Å) and one longer (1.26 Å) N–O bond length. In the second N site, N is bonded in a trigonal planar geometry to three O atoms. There is one shorter (1.25 Å) and two longer (1.28 Å) N–O bond length. In the third N site, N is bonded in a trigonal planar geometry to three O atoms. There is one shorter (1.23 Å) and two longer (1.28 Å) N–O bond length. In the fourth N site, N is bonded in a trigonal planar geometry to three O atoms. There are a spread of N–O bond distances ranging from 1.23–1.29 Å. There are seventeen inequivalent O sites. In the first O site, O is bonded in a trigonal non-coplanar geometry to three Dy atoms. In the second O site, O is bonded in a distorted bent 120 degrees geometry to one Dy and one N atom. In the third O site, O is bonded in a single-bond geometry to one N atom. In the fourth O site, O is bonded in a single-bond geometry to one N atom. In the fifth O site, O is bonded in a trigonal non-coplanar geometry to three Dy atoms. In the sixth O site, O is bonded in a trigonal non-coplanar geometry to three Dy atoms. In the seventh O site, O is bonded in an L-shaped geometry to one Dy and one N atom. In the eighth O site, O is bonded in a distorted L-shaped geometry to one Dy and one N atom. In the ninth O site, O is bonded in a trigonal non-coplanar geometry to three Dy atoms. In the tenth O site, O is bonded in a single-bond geometry to one N atom. In the eleventh O site, O is bonded in an L-shaped geometry to one Dy and one N atom. In the twelfth O site, O is bonded in an octahedral geometry to six Dy atoms. In the thirteenth O site, O is bonded in a single-bond geometry to one Dy and one N atom. In the fourteenth O site, O is bonded in a distorted L-shaped geometry to one Dy and one N atom. In the fifteenth O site, O is bonded in a single-bond geometry to one N atom. In the sixteenth O site, O is bonded in a water-like geometry to one Dy and one N atom. In the seventeenth O site, O is bonded in a distorted water-like geometry to one Dy and one N atom.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on Dy3Ga15Ru4 by Materials Project

Dy3Ru4Ga15 crystallizes in the orthorhombic Pnma space group. The structure is three-dimensional. there are three inequivalent Dy sites. In the first Dy site, Dy is bonded in a 12-coordinate geometry to four Ru and twelve Ga atoms. There are two shorter (3.35 Å) and two longer (3.36 Å) Dy–Ru bond lengths. There are a spread of Dy–Ga bond distances ranging from 2.98–3.26 Å. In the second Dy site, Dy is bonded to twelve Ga atoms to form distorted face-sharing DyGa12 cuboctahedra. There are a spread of Dy–Ga bond distances ranging from 3.00–3.14 Å. In the third Dy site, Dy is bonded in a 11-coordinate geometry to eleven Ga atoms. There are a spread of Dy–Ga bond distances ranging from 3.01–3.09 Å. There are two inequivalent Ru sites. In the first Ru site, Ru is bonded in a 8-coordinate geometry to one Dy and eight Ga atoms. There are a spread of Ru–Ga bond distances ranging from 2.51–2.71 Å. In the second Ru site, Ru is bonded in a 9-coordinate geometry to one Dy and nine Ga atoms. There are a spread of Ru–Ga bond distances ranging from 2.54–2.79 Å. There are ten inequivalent Ga sites. In the first Ga site, Ga is bonded in a 11-coordinate geometry to three Dy, three Ru, and five Ga atoms. There are a spread of Ga–Ga bond distances ranging from 2.75–2.90 Å. In the second Ga site, Ga is bonded in a 2-coordinate geometry to two Dy, two equivalent Ru, and five Ga atoms. There are a spread of Ga–Ga bond distances ranging from 2.57–2.97 Å. In the third Ga site, Ga is bonded in a 2-coordinate geometry to four Dy, two Ru, and four Ga atoms. There are a spread of Ga–Ga bond distances ranging from 2.85–2.99 Å. In the fourth Ga site, Ga is bonded in a 2-coordinate geometry to three Dy, two Ru, and six Ga atoms. There are a spread of Ga–Ga bond distances ranging from 2.59–3.00 Å. In the fifth Ga site, Ga is bonded in a 2-coordinate geometry to two Dy, two equivalent Ru, and five Ga atoms. There are one shorter (2.67 Å) and two longer (2.76 Å) Ga–Ga bond lengths. In the sixth Ga site, Ga is bonded in a 4-coordinate geometry to one Dy, three Ru, and six Ga atoms. There are a spread of Ga–Ga bond distances ranging from 2.74–2.90 Å. In the seventh Ga site, Ga is bonded in a 8-coordinate geometry to two equivalent Dy, two equivalent Ru, and four Ga atoms. The Ga–Ga bond length is 2.52 Å. In the eighth Ga site, Ga is bonded in a 10-coordinate geometry to one Dy, two equivalent Ru, and seven Ga atoms. The Ga–Ga bond length is 2.67 Å. In the ninth Ga site, Ga is bonded in a 9-coordinate geometry to two Dy, two equivalent Ru, and five Ga atoms. Both Ga–Ga bond lengths are 2.79 Å. In the tenth Ga site, Ga is bonded in a 2-coordinate geometry to two equivalent Dy, two Ru, and six Ga atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on Dy4In20Ni11 by Materials Project

Dy4Ni11In20 crystallizes in the monoclinic C2/m space group. The structure is three-dimensional. there are two inequivalent Dy sites. In the first Dy site, Dy is bonded in a 8-coordinate geometry to four Ni and eleven In atoms. There are two shorter (3.14 Å) and two longer (3.30 Å) Dy–Ni bond lengths. There are a spread of Dy–In bond distances ranging from 3.12–3.73 Å. In the second Dy site, Dy is bonded in a 8-coordinate geometry to four Ni and eleven In atoms. There are two shorter (3.08 Å) and two longer (3.24 Å) Dy–Ni bond lengths. There are a spread of Dy–In bond distances ranging from 3.11–3.68 Å. There are six inequivalent Ni sites. In the first Ni site, Ni is bonded to four equivalent Ni and eight In atoms to form distorted face-sharing NiIn8Ni4 cuboctahedra. All Ni–Ni bond lengths are 2.57 Å. There are a spread of Ni–In bond distances ranging from 2.64–3.08 Å. In the second Ni site, Ni is bonded in a 10-coordinate geometry to two equivalent Dy and eight In atoms. There are a spread of Ni–In bond distances ranging from 2.63–3.05 Å. In the third Ni site, Ni is bonded in a 9-coordinate geometry to two equivalent Dy and seven In atoms. There are a spread of Ni–In bond distances ranging from 2.62–2.68 Å. In the fourth Ni site, Ni is bonded in a 9-coordinate geometry to two equivalent Dy and seven In atoms. There are a spread of Ni–In bond distances ranging from 2.62–2.74 Å. In the fifth Ni site, Ni is bonded in a 9-coordinate geometry to two equivalent Dy and seven In atoms. There are a spread of Ni–In bond distances ranging from 2.66–2.72 Å. In the sixth Ni site, Ni is bonded in a 10-coordinate geometry to three Ni and seven In atoms. The Ni–Ni bond length is 2.85 Å. There are a spread of Ni–In bond distances ranging from 2.60–2.72 Å. There are ten inequivalent In sites. In the first In site, In is bonded in a 12-coordinate geometry to two equivalent Dy and four Ni atoms. In the second In site, In is bonded in a 12-coordinate geometry to three equivalent Dy, four Ni, and five In atoms. There are a spread of In–In bond distances ranging from 3.02–3.09 Å. In the third In site, In is bonded in a 5-coordinate geometry to two Dy, five Ni, and two equivalent In atoms. Both In–In bond lengths are 3.28 Å. In the fourth In site, In is bonded in a 12-coordinate geometry to two equivalent Dy, four Ni, and one In atom. The In–In bond length is 2.97 Å. In the fifth In site, In is bonded in a 5-coordinate geometry to two Dy, five Ni, and two In atoms. The In–In bond length is 3.12 Å. In the sixth In site, In is bonded in a 12-coordinate geometry to three equivalent Dy, three equivalent Ni, and six In atoms. There are one shorter (2.92 Å) and two longer (3.03 Å) In–In bond lengths. In the seventh In site, In is bonded in a 12-coordinate geometry to three Dy, four Ni, and five In atoms. There are a spread of In–In bond distances ranging from 3.05–3.07 Å. In the eighth In site, In is bonded in a 3-coordinate geometry to one Dy, four Ni, and six In atoms. There are one shorter (2.88 Å) and two longer (2.97 Å) In–In bond lengths. In the ninth In site, In is bonded in a 4-coordinate geometry to one Dy, four Ni, and five In atoms. In the tenth In site, In is bonded in a 12-coordinate geometry to three Dy, three Ni, and three In atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on Dy3Ni7B2 by Materials Project

Dy3Ni7B2 crystallizes in the hexagonal P6_3/mmc space group. The structure is three-dimensional. there are three inequivalent Dy sites. In the first Dy site, Dy is bonded in a 12-coordinate geometry to one Dy and twelve Ni atoms. The Dy–Dy bond length is 3.12 Å. There are a spread of Dy–Ni bond distances ranging from 2.96–3.04 Å. In the second Dy site, Dy is bonded in a 12-coordinate geometry to one Dy and twelve Ni atoms. The Dy–Dy bond length is 3.12 Å. There are a spread of Dy–Ni bond distances ranging from 2.96–3.04 Å. In the third Dy site, Dy is bonded in a 12-coordinate geometry to two equivalent Dy, twelve equivalent Ni, and six B atoms. All Dy–Ni bond lengths are 2.92 Å. All Dy–B bond lengths are 2.93 Å. There are two inequivalent Ni sites. In the first Ni site, Ni is bonded in a distorted L-shaped geometry to five Dy, one Ni, and two B atoms. The Ni–Ni bond length is 2.58 Å. There are one shorter (2.05 Å) and one longer (2.06 Å) Ni–B bond lengths. In the second Ni site, Ni is bonded to six equivalent Dy and six equivalent Ni atoms to form edge-sharing NiDy6Ni6 cuboctahedra. There are two inequivalent B sites. In the first B site, B is bonded in a 6-coordinate geometry to three equivalent Dy and six equivalent Ni atoms. In the second B site, B is bonded in a 6-coordinate geometry to three equivalent Dy and six equivalent Ni atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on Dy2Te by Materials Project

Dy2Te crystallizes in the orthorhombic Pnma space group. The structure is three-dimensional. there are six inequivalent Dy sites. In the first Dy site, Dy is bonded in a 3-coordinate geometry to three Te atoms. There are two shorter (3.19 Å) and one longer (3.27 Å) Dy–Te bond lengths. In the second Dy site, Dy is bonded to five Te atoms to form a mixture of distorted edge and corner-sharing DyTe5 square pyramids. There are a spread of Dy–Te bond distances ranging from 3.04–3.12 Å. In the third Dy site, Dy is bonded in a 4-coordinate geometry to four Te atoms. There are a spread of Dy–Te bond distances ranging from 3.10–3.35 Å. In the fourth Dy site, Dy is bonded to five Te atoms to form a mixture of distorted edge and corner-sharing DyTe5 trigonal bipyramids. There are a spread of Dy–Te bond distances ranging from 3.09–3.16 Å. In the fifth Dy site, Dy is bonded in a 4-coordinate geometry to four Te atoms. All Dy–Te bond lengths are 3.13 Å. In the sixth Dy site, Dy is bonded in a distorted L-shaped geometry to two Te atoms. There are one shorter (3.18 Å) and one longer (3.34 Å) Dy–Te bond lengths. There are three inequivalent Te sites. In the first Te site, Te is bonded in a 8-coordinate geometry to eight Dy atoms. In the second Te site, Te is bonded in a 8-coordinate geometry to eight Dy atoms. In the third Te site, Te is bonded to seven Dy atoms to form distorted edge-sharing TeDy7 pentagonal bipyramids.

36 MATERIALS SCIENCE↗