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DOE OSTI2020

Materials Data on Ga17Rh10 by Materials Project

Rh10Ga17 crystallizes in the tetragonal P-4c2 space group. The structure is three-dimensional. there are eleven inequivalent Rh sites. In the first Rh site, Rh is bonded in a 8-coordinate geometry to eight Ga atoms. There are a spread of Rh–Ga bond distances ranging from 2.45–2.91 Å. In the second Rh site, Rh is bonded in a 6-coordinate geometry to six Ga atoms. There are four shorter (2.46 Å) and two longer (2.73 Å) Rh–Ga bond lengths. In the third Rh site, Rh is bonded in a 8-coordinate geometry to eight Ga atoms. There are four shorter (2.56 Å) and four longer (2.64 Å) Rh–Ga bond lengths. In the fourth Rh site, Rh is bonded in a 8-coordinate geometry to eight Ga atoms. There are a spread of Rh–Ga bond distances ranging from 2.45–2.99 Å. In the fifth Rh site, Rh is bonded in a 8-coordinate geometry to eight Ga atoms. There are a spread of Rh–Ga bond distances ranging from 2.55–2.66 Å. In the sixth Rh site, Rh is bonded in a 6-coordinate geometry to six Ga atoms. There are a spread of Rh–Ga bond distances ranging from 2.45–2.73 Å. In the seventh Rh site, Rh is bonded in a 8-coordinate geometry to eight Ga atoms. There are a spread of Rh–Ga bond distances ranging from 2.49–2.75 Å. In the eighth Rh site, Rh is bonded in a 8-coordinate geometry to eight Ga atoms. There are a spread of Rh–Ga bond distances ranging from 2.46–2.85 Å. In the ninth Rh site, Rh is bonded in a 8-coordinate geometry to eight Ga atoms. There are a spread of Rh–Ga bond distances ranging from 2.48–2.79 Å. In the tenth Rh site, Rh is bonded in a 8-coordinate geometry to eight Ga atoms. There are a spread of Rh–Ga bond distances ranging from 2.53–2.68 Å. In the eleventh Rh site, Rh is bonded in a 8-coordinate geometry to eight Ga atoms. There are a spread of Rh–Ga bond distances ranging from 2.51–2.71 Å. There are nine inequivalent Ga sites. In the first Ga site, Ga is bonded in a 2-coordinate geometry to five Rh atoms. In the second Ga site, Ga is bonded in a 4-coordinate geometry to four Rh atoms. In the third Ga site, Ga is bonded in a 4-coordinate geometry to four Rh atoms. In the fourth Ga site, Ga is bonded in a 4-coordinate geometry to five Rh atoms. In the fifth Ga site, Ga is bonded in a 4-coordinate geometry to four Rh atoms. In the sixth Ga site, Ga is bonded in a 2-coordinate geometry to five Rh atoms. In the seventh Ga site, Ga is bonded in a 2-coordinate geometry to five Rh atoms. In the eighth Ga site, Ga is bonded in a 4-coordinate geometry to four Rh atoms. In the ninth Ga site, Ga is bonded in a 2-coordinate geometry to five Rh atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on Bi6Rh12O29 by Materials Project

Rh12Bi6O29 crystallizes in the monoclinic C2/m space group. The structure is three-dimensional. there are nine inequivalent Rh+3.33+ sites. In the first Rh+3.33+ site, Rh+3.33+ is bonded to six O2- atoms to form a mixture of edge and corner-sharing RhO6 octahedra. The corner-sharing octahedra tilt angles range from 52–58°. There are a spread of Rh–O bond distances ranging from 1.96–2.11 Å. In the second Rh+3.33+ site, Rh+3.33+ is bonded to six O2- atoms to form a mixture of edge and corner-sharing RhO6 octahedra. The corner-sharing octahedra tilt angles range from 53–55°. There are a spread of Rh–O bond distances ranging from 1.93–2.10 Å. In the third Rh+3.33+ site, Rh+3.33+ is bonded to six O2- atoms to form edge-sharing RhO6 octahedra. There are a spread of Rh–O bond distances ranging from 2.05–2.07 Å. In the fourth Rh+3.33+ site, Rh+3.33+ is bonded to six O2- atoms to form a mixture of edge and corner-sharing RhO6 octahedra. The corner-sharing octahedra tilt angles range from 52–58°. There are a spread of Rh–O bond distances ranging from 2.00–2.07 Å. In the fifth Rh+3.33+ site, Rh+3.33+ is bonded to six O2- atoms to form edge-sharing RhO6 octahedra. There are a spread of Rh–O bond distances ranging from 2.05–2.09 Å. In the sixth Rh+3.33+ site, Rh+3.33+ is bonded to six O2- atoms to form a mixture of edge and corner-sharing RhO6 octahedra. The corner-sharing octahedra tilt angles range from 52–58°. There are a spread of Rh–O bond distances ranging from 1.99–2.11 Å. In the seventh Rh+3.33+ site, Rh+3.33+ is bonded to six O2- atoms to form edge-sharing RhO6 octahedra. There are a spread of Rh–O bond distances ranging from 2.06–2.10 Å. In the eighth Rh+3.33+ site, Rh+3.33+ is bonded to six O2- atoms to form a mixture of edge and corner-sharing RhO6 octahedra. The corner-sharing octahedra tilt angles range from 53–58°. There are a spread of Rh–O bond distances ranging from 1.99–2.14 Å. In the ninth Rh+3.33+ site, Rh+3.33+ is bonded to six O2- atoms to form edge-sharing RhO6 octahedra. There are two shorter (2.06 Å) and four longer (2.08 Å) Rh–O bond lengths. There are four inequivalent Bi3+ sites. In the first Bi3+ site, Bi3+ is bonded in a 6-coordinate geometry to six O2- atoms. There are a spread of Bi–O bond distances ranging from 2.30–2.60 Å. In the second Bi3+ site, Bi3+ is bonded in a 6-coordinate geometry to six O2- atoms. There are a spread of Bi–O bond distances ranging from 2.32–2.53 Å. In the third Bi3+ site, Bi3+ is bonded in a 5-coordinate geometry to six O2- atoms. There are a spread of Bi–O bond distances ranging from 2.22–2.98 Å. In the fourth Bi3+ site, Bi3+ is bonded in a 6-coordinate geometry to six O2- atoms. There are a spread of Bi–O bond distances ranging from 2.12–2.72 Å. There are eighteen inequivalent O2- sites. In the first O2- site, O2- is bonded to three Rh+3.33+ and one Bi3+ atom to form a mixture of edge and corner-sharing OBiRh3 trigonal pyramids. In the second O2- site, O2- is bonded to three Rh+3.33+ and one Bi3+ atom to form a mixture of distorted edge and corner-sharing OBiRh3 trigonal pyramids. In the third O2- site, O2- is bonded in a 3-coordinate geometry to three Rh+3.33+ and one Bi3+ atom. In the fourth O2- site, O2- is bonded in a 4-coordinate geometry to three Rh+3.33+ and one Bi3+ atom. In the fifth O2- site, O2- is bonded in a trigonal planar geometry to three Rh+3.33+ atoms. In the sixth O2- site, O2- is bonded in a rectangular see-saw-like geometry to three Rh+3.33+ and one Bi3+ atom. In the seventh O2- site, O2- is bonded in a trigonal planar geometry to three Rh+3.33+ atoms. In the eighth O2- site, O2- is bonded in a 3-coordinate geometry to four Bi3+ atoms. In the ninth O2- site, O2- is bonded to four Bi3+ atoms to form distorted OBi4 trigonal pyramids that share corners with two OBi4 tetrahedra, corners with seven OBiRh3 trigonal pyramids, and an edgeedge with one OBi4 trigonal pyramid. In the tenth O2- site, O2- is bonded to three Rh+3.33+ and one Bi3+ atom to form distorted OBiRh3 tetrahedra that share corners with two equivalent OBi4 tetrahedra, a cornercorner with one OBiRh3 trigonal pyramid, and edges with two equivalent OBiRh3 trigonal pyramids. In the eleventh O2- site, O2- is bonded in a distorted trigonal planar geometry to three Rh+3.33+ atoms. In the twelfth O2- site, O2- is bonded to four Bi3+ atoms to form distorted OBi4 tetrahedra that share corners with four OBiRh3 tetrahedra, corners with four OBiRh3 trigonal pyramids, and an edgeedge with one OBi4 tetrahedra. In the thirteenth O2- site, O2- is bonded to three Rh+3.33+ and one Bi3+ atom to form distorted OBiRh3 tetrahedra that share corners with three OBi4 tetrahedra, corners with four OBiRh3 trigonal pyramids, and edges with two OBiRh3 trigonal pyramids. In the fourteenth O2- site, O2- is bonded to three Rh+3.33+ and one Bi3+ atom to form distorted OBiRh3 trigonal pyramids that share corners with five OBi4 trigonal pyramids, an edgeedge with one OBiRh3 tetrahedra, and an edgeedge with one OBiRh3 trigonal pyramid. In the fifteenth O2- site, O2- is bonded in a 3-coordinate geometry to three Rh+3.33+ atoms. In the sixteenth O2- site, O2- is bonded in a 3-coordinate geometry to three Rh+3.33+ atoms. In the seventeenth O2- site, O2- is bonded in a distorted trigonal planar geometry to three Rh+3.33+ atoms. In the eighteenth O2- site, O2- is bonded to three Rh+3.33+ and one Bi3+ atom to form a mixture of distorted edge and corner-sharing OBiRh3 trigonal pyramids.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on Ca6P19Rh30 by Materials Project

Ca6Rh30P19 crystallizes in the trigonal P3 space group. The structure is three-dimensional. there are two inequivalent Ca sites. In the first Ca site, Ca is bonded to six Rh and six P atoms to form distorted CaP6Rh6 cuboctahedra that share corners with four RhP4 tetrahedra, an edgeedge with one RhP4 tetrahedra, and faces with two equivalent CaP6Rh6 cuboctahedra. There are a spread of Ca–Rh bond distances ranging from 3.06–3.10 Å. There are a spread of Ca–P bond distances ranging from 2.98–3.02 Å. In the second Ca site, Ca is bonded to six Rh and six P atoms to form distorted CaP6Rh6 cuboctahedra that share corners with four RhP4 tetrahedra, an edgeedge with one RhP4 tetrahedra, and faces with two equivalent CaP6Rh6 cuboctahedra. There are a spread of Ca–Rh bond distances ranging from 3.07–3.11 Å. There are a spread of Ca–P bond distances ranging from 2.99–3.02 Å. There are ten inequivalent Rh sites. In the first Rh site, Rh is bonded in a 5-coordinate geometry to five P atoms. There are a spread of Rh–P bond distances ranging from 2.38–2.55 Å. In the second Rh site, Rh is bonded to four P atoms to form distorted RhP4 tetrahedra that share corners with four CaP6Rh6 cuboctahedra, corners with seven RhP4 tetrahedra, an edgeedge with one CaP6Rh6 cuboctahedra, and edges with two equivalent RhP4 tetrahedra. There are a spread of Rh–P bond distances ranging from 2.32–2.47 Å. In the third Rh site, Rh is bonded to four P atoms to form distorted RhP4 tetrahedra that share corners with four CaP6Rh6 cuboctahedra, corners with seven RhP4 tetrahedra, an edgeedge with one CaP6Rh6 cuboctahedra, and edges with two equivalent RhP4 tetrahedra. There are a spread of Rh–P bond distances ranging from 2.35–2.51 Å. In the fourth Rh site, Rh is bonded in a 12-coordinate geometry to two equivalent Ca and four P atoms. There are a spread of Rh–P bond distances ranging from 2.34–2.51 Å. In the fifth Rh site, Rh is bonded in a 12-coordinate geometry to two equivalent Ca and four P atoms. There are a spread of Rh–P bond distances ranging from 2.34–2.51 Å. In the sixth Rh site, Rh is bonded in a 12-coordinate geometry to two equivalent Ca and four P atoms. There are a spread of Rh–P bond distances ranging from 2.36–2.49 Å. In the seventh Rh site, Rh is bonded in a 6-coordinate geometry to two equivalent Ca and four P atoms. There are a spread of Rh–P bond distances ranging from 2.35–2.49 Å. In the eighth Rh site, Rh is bonded in a 12-coordinate geometry to two equivalent Ca and four P atoms. There are a spread of Rh–P bond distances ranging from 2.34–2.53 Å. In the ninth Rh site, Rh is bonded in a 12-coordinate geometry to two equivalent Ca and four P atoms. There are a spread of Rh–P bond distances ranging from 2.33–2.55 Å. In the tenth Rh site, Rh is bonded in a 5-coordinate geometry to five P atoms. There are one shorter (2.37 Å) and four longer (2.55 Å) Rh–P bond lengths. There are seven inequivalent P sites. In the first P site, P is bonded in a 9-coordinate geometry to two equivalent Ca and seven Rh atoms. In the second P site, P is bonded in a 9-coordinate geometry to two equivalent Ca and seven Rh atoms. In the third P site, P is bonded in a 9-coordinate geometry to two equivalent Ca and seven Rh atoms. In the fourth P site, P is bonded in a 9-coordinate geometry to two equivalent Ca and seven Rh atoms. In the fifth P site, P is bonded in a 8-coordinate geometry to two equivalent Ca and six Rh atoms. In the sixth P site, P is bonded in a 8-coordinate geometry to two equivalent Ca and six Rh atoms. In the seventh P site, P is bonded in a distorted octahedral geometry to six Rh atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on Sm6Si19Rh30 by Materials Project

Sm6Rh30Si19 crystallizes in the trigonal P3 space group. The structure is three-dimensional. there are two inequivalent Sm sites. In the first Sm site, Sm is bonded in a 12-coordinate geometry to twelve Rh and six Si atoms. There are a spread of Sm–Rh bond distances ranging from 3.12–3.51 Å. There are a spread of Sm–Si bond distances ranging from 3.10–3.12 Å. In the second Sm site, Sm is bonded to six Rh and six Si atoms to form distorted SmSi6Rh6 cuboctahedra that share corners with two equivalent RhSmSi4 tetrahedra and faces with two equivalent SmSi6Rh6 cuboctahedra. There are a spread of Sm–Rh bond distances ranging from 3.11–3.13 Å. There are a spread of Sm–Si bond distances ranging from 3.10–3.12 Å. There are ten inequivalent Rh sites. In the first Rh site, Rh is bonded in a 4-coordinate geometry to two equivalent Sm and four Si atoms. There are a spread of Rh–Si bond distances ranging from 2.44–2.49 Å. In the second Rh site, Rh is bonded in a 4-coordinate geometry to three Sm and four Si atoms. There are a spread of Rh–Si bond distances ranging from 2.40–2.51 Å. In the third Rh site, Rh is bonded in a 4-coordinate geometry to two equivalent Sm and four Si atoms. There are a spread of Rh–Si bond distances ranging from 2.39–2.52 Å. In the fourth Rh site, Rh is bonded to one Sm and four Si atoms to form distorted RhSmSi4 tetrahedra that share corners with two equivalent SmSi6Rh6 cuboctahedra and corners with four equivalent RhSmSi4 tetrahedra. There are a spread of Rh–Si bond distances ranging from 2.33–2.44 Å. In the fifth Rh site, Rh is bonded in a 4-coordinate geometry to four Si atoms. There are a spread of Rh–Si bond distances ranging from 2.39–2.67 Å. In the sixth Rh site, Rh is bonded in a 5-coordinate geometry to two equivalent Sm and five Si atoms. There are a spread of Rh–Si bond distances ranging from 2.38–2.53 Å. In the seventh Rh site, Rh is bonded in a 5-coordinate geometry to five Si atoms. There are a spread of Rh–Si bond distances ranging from 2.38–2.53 Å. In the eighth Rh site, Rh is bonded in a 4-coordinate geometry to three Sm and four Si atoms. There are a spread of Rh–Si bond distances ranging from 2.44–2.51 Å. In the ninth Rh site, Rh is bonded in a 4-coordinate geometry to two equivalent Sm and four Si atoms. There are a spread of Rh–Si bond distances ranging from 2.43–2.50 Å. In the tenth Rh site, Rh is bonded in a 4-coordinate geometry to three Sm and four Si atoms. There are a spread of Rh–Si bond distances ranging from 2.44–2.50 Å. There are seven inequivalent Si sites. In the first Si site, Si is bonded in a 9-coordinate geometry to two equivalent Sm and seven Rh atoms. In the second Si site, Si is bonded in a 9-coordinate geometry to two equivalent Sm and seven Rh atoms. In the third Si site, Si is bonded in a 10-coordinate geometry to two equivalent Sm and six Rh atoms. In the fourth Si site, Si is bonded in a 10-coordinate geometry to two equivalent Sm and six Rh atoms. In the fifth Si site, Si is bonded in a 9-coordinate geometry to two equivalent Sm and seven Rh atoms. In the sixth Si site, Si is bonded in a 9-coordinate geometry to two equivalent Sm and seven Rh atoms. In the seventh Si site, Si is bonded in a 6-coordinate geometry to six Rh atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on Yb6P19Rh30 by Materials Project

Yb6Rh30P19 crystallizes in the trigonal P3 space group. The structure is three-dimensional. there are two inequivalent Yb sites. In the first Yb site, Yb is bonded to six Rh and six P atoms to form distorted YbP6Rh6 cuboctahedra that share corners with four RhP4 tetrahedra, an edgeedge with one RhP4 tetrahedra, and faces with two equivalent YbP6Rh6 cuboctahedra. There are a spread of Yb–Rh bond distances ranging from 3.05–3.07 Å. There are a spread of Yb–P bond distances ranging from 2.96–3.00 Å. In the second Yb site, Yb is bonded to six Rh and six P atoms to form distorted YbP6Rh6 cuboctahedra that share corners with four RhP4 tetrahedra, an edgeedge with one RhP4 tetrahedra, and faces with two equivalent YbP6Rh6 cuboctahedra. There are a spread of Yb–Rh bond distances ranging from 3.05–3.08 Å. There are a spread of Yb–P bond distances ranging from 2.96–2.99 Å. There are ten inequivalent Rh sites. In the first Rh site, Rh is bonded in a 5-coordinate geometry to five P atoms. There are one shorter (2.39 Å) and four longer (2.54 Å) Rh–P bond lengths. In the second Rh site, Rh is bonded in a 12-coordinate geometry to two equivalent Yb and four P atoms. There are a spread of Rh–P bond distances ranging from 2.35–2.48 Å. In the third Rh site, Rh is bonded in a 12-coordinate geometry to two equivalent Yb and four P atoms. There are a spread of Rh–P bond distances ranging from 2.35–2.48 Å. In the fourth Rh site, Rh is bonded to four P atoms to form distorted RhP4 tetrahedra that share corners with four YbP6Rh6 cuboctahedra, corners with seven RhP4 tetrahedra, an edgeedge with one YbP6Rh6 cuboctahedra, and edges with two equivalent RhP4 tetrahedra. There are a spread of Rh–P bond distances ranging from 2.30–2.46 Å. In the fifth Rh site, Rh is bonded to four P atoms to form distorted RhP4 tetrahedra that share corners with four YbP6Rh6 cuboctahedra, corners with seven RhP4 tetrahedra, an edgeedge with one YbP6Rh6 cuboctahedra, and edges with two equivalent RhP4 tetrahedra. There are a spread of Rh–P bond distances ranging from 2.35–2.49 Å. In the sixth Rh site, Rh is bonded in a 6-coordinate geometry to two equivalent Yb and four P atoms. There are a spread of Rh–P bond distances ranging from 2.32–2.51 Å. In the seventh Rh site, Rh is bonded in a 12-coordinate geometry to two equivalent Yb and four P atoms. There are a spread of Rh–P bond distances ranging from 2.32–2.51 Å. In the eighth Rh site, Rh is bonded in a 12-coordinate geometry to two equivalent Yb and four P atoms. There are a spread of Rh–P bond distances ranging from 2.32–2.52 Å. In the ninth Rh site, Rh is bonded in a 12-coordinate geometry to two equivalent Yb and four P atoms. There are a spread of Rh–P bond distances ranging from 2.31–2.54 Å. In the tenth Rh site, Rh is bonded in a 5-coordinate geometry to five P atoms. There are one shorter (2.38 Å) and four longer (2.54 Å) Rh–P bond lengths. There are seven inequivalent P sites. In the first P site, P is bonded in a 9-coordinate geometry to two equivalent Yb and seven Rh atoms. In the second P site, P is bonded in a 9-coordinate geometry to two equivalent Yb and seven Rh atoms. In the third P site, P is bonded in a 8-coordinate geometry to two equivalent Yb and six Rh atoms. In the fourth P site, P is bonded in a 8-coordinate geometry to two equivalent Yb and six Rh atoms. In the fifth P site, P is bonded in a 9-coordinate geometry to two equivalent Yb and seven Rh atoms. In the sixth P site, P is bonded in a 9-coordinate geometry to two equivalent Yb and seven Rh atoms. In the seventh P site, P is bonded in a distorted octahedral geometry to six Rh atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on YLuTh2(BRh)16 by Materials Project

Th2LuY(RhB)16 crystallizes in the orthorhombic Pmm2 space group. The structure is three-dimensional. there are two inequivalent Th sites. In the first Th site, Th is bonded in a 12-coordinate geometry to twelve Rh and twelve B atoms. There are a spread of Th–Rh bond distances ranging from 3.00–3.20 Å. There are a spread of Th–B bond distances ranging from 3.04–3.19 Å. In the second Th site, Th is bonded in a 12-coordinate geometry to twelve Rh and twelve B atoms. There are a spread of Th–Rh bond distances ranging from 3.00–3.21 Å. There are a spread of Th–B bond distances ranging from 3.04–3.20 Å. Lu is bonded in a 12-coordinate geometry to twelve Rh and twelve B atoms. There are a spread of Lu–Rh bond distances ranging from 2.94–3.19 Å. There are a spread of Lu–B bond distances ranging from 3.04–3.16 Å. Y is bonded in a 12-coordinate geometry to twelve Rh and twelve B atoms. There are a spread of Y–Rh bond distances ranging from 2.96–3.20 Å. There are a spread of Y–B bond distances ranging from 3.04–3.16 Å. There are eight inequivalent Rh sites. In the first Rh site, Rh is bonded in a 5-coordinate geometry to one Th, two equivalent Lu, and five B atoms. There are a spread of Rh–B bond distances ranging from 2.22–2.24 Å. In the second Rh site, Rh is bonded in a 5-coordinate geometry to two equivalent Th, one Y, and five B atoms. There are a spread of Rh–B bond distances ranging from 2.23–2.30 Å. In the third Rh site, Rh is bonded in a 5-coordinate geometry to two equivalent Lu, one Y, and five B atoms. There are two shorter (2.22 Å) and three longer (2.23 Å) Rh–B bond lengths. In the fourth Rh site, Rh is bonded in a 5-coordinate geometry to three Th and five B atoms. There are four shorter (2.24 Å) and one longer (2.28 Å) Rh–B bond lengths. In the fifth Rh site, Rh is bonded in a 5-coordinate geometry to two equivalent Th, one Lu, and five B atoms. There are four shorter (2.23 Å) and one longer (2.31 Å) Rh–B bond lengths. In the sixth Rh site, Rh is bonded in a 5-coordinate geometry to one Th, two equivalent Y, and five B atoms. There are a spread of Rh–B bond distances ranging from 2.22–2.25 Å. In the seventh Rh site, Rh is bonded in a 5-coordinate geometry to three Th and five B atoms. There are four shorter (2.24 Å) and one longer (2.28 Å) Rh–B bond lengths. In the eighth Rh site, Rh is bonded in a 5-coordinate geometry to one Lu, two equivalent Y, and five B atoms. There are four shorter (2.22 Å) and one longer (2.26 Å) Rh–B bond lengths. There are eight inequivalent B sites. In the first B site, B is bonded in a 6-coordinate geometry to one Th, two equivalent Lu, five Rh, and one B atom. The B–B bond length is 1.81 Å. In the second B site, B is bonded in a 6-coordinate geometry to two equivalent Th, one Y, five Rh, and one B atom. The B–B bond length is 1.79 Å. In the third B site, B is bonded in a 6-coordinate geometry to three Th, five Rh, and one B atom. The B–B bond length is 1.77 Å. In the fourth B site, B is bonded in a 6-coordinate geometry to one Lu, two equivalent Y, five Rh, and one B atom. The B–B bond length is 1.81 Å. In the fifth B site, B is bonded in a 6-coordinate geometry to two equivalent Th, one Lu, five Rh, and one B atom. The B–B bond length is 1.79 Å. In the sixth B site, B is bonded in a 6-coordinate geometry to one Th, two equivalent Y, five Rh, and one B atom. The B–B bond length is 1.81 Å. In the seventh B site, B is bonded in a 6-coordinate geometry to two equivalent Lu, one Y, five Rh, and one B atom. The B–B bond length is 1.81 Å. In the eighth B site, B is bonded in a 6-coordinate geometry to three Th, five Rh, and one B atom. The B–B bond length is 1.77 Å.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on Nd8Sb14Rh17 by Materials Project

Nd8Rh17Sb14 crystallizes in the tetragonal I4cm space group. The structure is three-dimensional. there are four inequivalent Nd sites. In the first Nd site, Nd is bonded in a 12-coordinate geometry to nine Rh and six Sb atoms. There are a spread of Nd–Rh bond distances ranging from 3.06–3.72 Å. There are a spread of Nd–Sb bond distances ranging from 3.27–3.37 Å. In the second Nd site, Nd is bonded in a 12-coordinate geometry to nine Rh and eight Sb atoms. There are a spread of Nd–Rh bond distances ranging from 3.51–3.62 Å. There are four shorter (3.37 Å) and four longer (3.44 Å) Nd–Sb bond lengths. In the third Nd site, Nd is bonded in a 10-coordinate geometry to ten Rh and six Sb atoms. There are a spread of Nd–Rh bond distances ranging from 3.17–3.66 Å. There are four shorter (3.38 Å) and two longer (3.44 Å) Nd–Sb bond lengths. In the fourth Nd site, Nd is bonded in a 1-coordinate geometry to eight Rh and seven Sb atoms. There are a spread of Nd–Rh bond distances ranging from 3.19–3.65 Å. There are a spread of Nd–Sb bond distances ranging from 3.25–3.86 Å. There are seven inequivalent Rh sites. In the first Rh site, Rh is bonded in a 12-coordinate geometry to four Nd and four Sb atoms. There are a spread of Rh–Sb bond distances ranging from 2.63–2.68 Å. In the second Rh site, Rh is bonded in a 11-coordinate geometry to four Nd, three Rh, and four Sb atoms. There are one shorter (2.88 Å) and two longer (2.95 Å) Rh–Rh bond lengths. There are two shorter (2.67 Å) and two longer (2.70 Å) Rh–Sb bond lengths. In the third Rh site, Rh is bonded in a 9-coordinate geometry to four equivalent Nd, one Rh, and four Sb atoms. There are one shorter (2.55 Å) and three longer (2.65 Å) Rh–Sb bond lengths. In the fourth Rh site, Rh is bonded in a 4-coordinate geometry to four Nd and four Sb atoms. There are a spread of Rh–Sb bond distances ranging from 2.62–2.69 Å. In the fifth Rh site, Rh is bonded in a 4-coordinate geometry to four Nd and four Sb atoms. There are a spread of Rh–Sb bond distances ranging from 2.62–2.67 Å. In the sixth Rh site, Rh is bonded in a 6-coordinate geometry to four Nd, one Rh, and four Sb atoms. There are a spread of Rh–Sb bond distances ranging from 2.58–2.70 Å. In the seventh Rh site, Rh is bonded in a 10-coordinate geometry to five Nd and five Sb atoms. There are four shorter (2.67 Å) and one longer (2.75 Å) Rh–Sb bond lengths. There are six inequivalent Sb sites. In the first Sb site, Sb is bonded in a 9-coordinate geometry to four Nd and five Rh atoms. In the second Sb site, Sb is bonded in a 8-coordinate geometry to four Nd and five Rh atoms. In the third Sb site, Sb is bonded in a 9-coordinate geometry to four equivalent Nd and five Rh atoms. In the fourth Sb site, Sb is bonded in a 7-coordinate geometry to three Nd and five Rh atoms. In the fifth Sb site, Sb is bonded in a 8-coordinate geometry to four equivalent Nd and four Rh atoms. In the sixth Sb site, Sb is bonded in a 9-coordinate geometry to four equivalent Nd and five Rh atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on Pr8Sb14Rh17 by Materials Project

Pr8Rh17Sb14 crystallizes in the tetragonal I4cm space group. The structure is three-dimensional. there are four inequivalent Pr sites. In the first Pr site, Pr is bonded in a 12-coordinate geometry to nine Rh and six Sb atoms. There are a spread of Pr–Rh bond distances ranging from 3.11–3.72 Å. There are a spread of Pr–Sb bond distances ranging from 3.29–3.37 Å. In the second Pr site, Pr is bonded in a 12-coordinate geometry to nine Rh and eight Sb atoms. There are a spread of Pr–Rh bond distances ranging from 3.46–3.67 Å. There are four shorter (3.38 Å) and four longer (3.48 Å) Pr–Sb bond lengths. In the third Pr site, Pr is bonded in a 4-coordinate geometry to ten Rh and six Sb atoms. There are a spread of Pr–Rh bond distances ranging from 3.18–3.69 Å. There are four shorter (3.39 Å) and two longer (3.40 Å) Pr–Sb bond lengths. In the fourth Pr site, Pr is bonded in a 1-coordinate geometry to eight Rh and seven Sb atoms. There are a spread of Pr–Rh bond distances ranging from 3.17–3.65 Å. There are a spread of Pr–Sb bond distances ranging from 3.26–3.81 Å. There are seven inequivalent Rh sites. In the first Rh site, Rh is bonded in a 4-coordinate geometry to four Pr and four Sb atoms. There are a spread of Rh–Sb bond distances ranging from 2.61–2.68 Å. In the second Rh site, Rh is bonded in a 11-coordinate geometry to four Pr, three Rh, and four Sb atoms. There are two shorter (2.90 Å) and one longer (2.91 Å) Rh–Rh bond lengths. There are two shorter (2.69 Å) and two longer (2.71 Å) Rh–Sb bond lengths. In the third Rh site, Rh is bonded in a 6-coordinate geometry to four equivalent Pr, one Rh, and four Sb atoms. There are a spread of Rh–Sb bond distances ranging from 2.55–2.67 Å. In the fourth Rh site, Rh is bonded to four Pr and four Sb atoms to form a mixture of distorted face and edge-sharing RhPr4Sb4 tetrahedra. There are three shorter (2.63 Å) and one longer (2.69 Å) Rh–Sb bond lengths. In the fifth Rh site, Rh is bonded in a 4-coordinate geometry to four Pr and four Sb atoms. There are a spread of Rh–Sb bond distances ranging from 2.63–2.66 Å. In the sixth Rh site, Rh is bonded in a 6-coordinate geometry to four Pr, one Rh, and four Sb atoms. There are a spread of Rh–Sb bond distances ranging from 2.59–2.69 Å. In the seventh Rh site, Rh is bonded in a 10-coordinate geometry to five Pr and five Sb atoms. There are four shorter (2.68 Å) and one longer (2.77 Å) Rh–Sb bond lengths. There are six inequivalent Sb sites. In the first Sb site, Sb is bonded in a 9-coordinate geometry to four Pr and five Rh atoms. In the second Sb site, Sb is bonded in a 8-coordinate geometry to four Pr and five Rh atoms. In the third Sb site, Sb is bonded in a 9-coordinate geometry to four equivalent Pr and five Rh atoms. In the fourth Sb site, Sb is bonded in a 7-coordinate geometry to three Pr, five Rh, and one Sb atom. The Sb–Sb bond length is 3.11 Å. In the fifth Sb site, Sb is bonded in a 8-coordinate geometry to four equivalent Pr and four Rh atoms. In the sixth Sb site, Sb is bonded in a 9-coordinate geometry to four equivalent Pr and five Rh atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on Na3Cd(RhO2)8 by Materials Project

Na3Cd(RhO2)8 crystallizes in the monoclinic Pm space group. The structure is three-dimensional. there are three inequivalent Na1+ sites. In the first Na1+ site, Na1+ is bonded in a 8-coordinate geometry to eight O2- atoms. There are a spread of Na–O bond distances ranging from 2.42–2.64 Å. In the second Na1+ site, Na1+ is bonded in a 8-coordinate geometry to eight O2- atoms. There are a spread of Na–O bond distances ranging from 2.41–2.55 Å. In the third Na1+ site, Na1+ is bonded in a 8-coordinate geometry to eight O2- atoms. There are a spread of Na–O bond distances ranging from 2.41–2.58 Å. There are eight inequivalent Rh+3.38+ sites. In the first Rh+3.38+ site, Rh+3.38+ is bonded to six O2- atoms to form a mixture of edge and corner-sharing RhO6 octahedra. The corner-sharing octahedra tilt angles range from 50–59°. There are a spread of Rh–O bond distances ranging from 2.02–2.07 Å. In the second Rh+3.38+ site, Rh+3.38+ is bonded to six O2- atoms to form a mixture of edge and corner-sharing RhO6 octahedra. The corner-sharing octahedra tilt angles range from 50–59°. There are a spread of Rh–O bond distances ranging from 2.02–2.12 Å. In the third Rh+3.38+ site, Rh+3.38+ is bonded to six O2- atoms to form a mixture of edge and corner-sharing RhO6 octahedra. The corner-sharing octahedra tilt angles range from 50–60°. There are a spread of Rh–O bond distances ranging from 2.04–2.11 Å. In the fourth Rh+3.38+ site, Rh+3.38+ is bonded to six O2- atoms to form a mixture of edge and corner-sharing RhO6 octahedra. The corner-sharing octahedra tilt angles range from 50–60°. There are a spread of Rh–O bond distances ranging from 2.04–2.07 Å. In the fifth Rh+3.38+ site, Rh+3.38+ is bonded to six O2- atoms to form a mixture of edge and corner-sharing RhO6 octahedra. The corner-sharing octahedra tilt angles range from 50–60°. There are a spread of Rh–O bond distances ranging from 2.05–2.10 Å. In the sixth Rh+3.38+ site, Rh+3.38+ is bonded to six O2- atoms to form a mixture of edge and corner-sharing RhO6 octahedra. The corner-sharing octahedra tilt angles range from 50–60°. There are a spread of Rh–O bond distances ranging from 2.05–2.12 Å. In the seventh Rh+3.38+ site, Rh+3.38+ is bonded to six O2- atoms to form a mixture of edge and corner-sharing RhO6 octahedra. The corner-sharing octahedra tilt angles range from 50–59°. There are a spread of Rh–O bond distances ranging from 2.03–2.07 Å. In the eighth Rh+3.38+ site, Rh+3.38+ is bonded to six O2- atoms to form a mixture of edge and corner-sharing RhO6 octahedra. The corner-sharing octahedra tilt angles range from 50–59°. There are a spread of Rh–O bond distances ranging from 2.03–2.07 Å. Cd2+ is bonded in a 8-coordinate geometry to eight O2- atoms. There are a spread of Cd–O bond distances ranging from 2.42–2.50 Å. There are sixteen inequivalent O2- sites. In the first O2- site, O2- is bonded to one Na1+, three Rh+3.38+, and one Cd2+ atom to form distorted ONaCdRh3 trigonal bipyramids that share corners with four ONa2Rh3 square pyramids, corners with four ONaCdRh3 trigonal bipyramids, and edges with three ONa2Rh3 square pyramids. In the second O2- site, O2- is bonded to one Na1+, three Rh+3.38+, and one Cd2+ atom to form distorted ONaCdRh3 trigonal bipyramids that share corners with four ONa2Rh3 square pyramids, corners with four ONaCdRh3 trigonal bipyramids, and edges with three ONa2Rh3 square pyramids. In the third O2- site, O2- is bonded to two Na1+ and three Rh+3.38+ atoms to form a mixture of distorted edge and corner-sharing ONa2Rh3 trigonal bipyramids. In the fourth O2- site, O2- is bonded to two Na1+ and three Rh+3.38+ atoms to form a mixture of distorted edge and corner-sharing ONa2Rh3 trigonal bipyramids. In the fifth O2- site, O2- is bonded in a 5-coordinate geometry to two equivalent Na1+ and three Rh+3.38+ atoms. In the sixth O2- site, O2- is bonded in a 5-coordinate geometry to two equivalent Na1+ and three Rh+3.38+ atoms. In the seventh O2- site, O2- is bonded in a 5-coordinate geometry to three Rh+3.38+ and two equivalent Cd2+ atoms. In the eighth O2- site, O2- is bonded in a 5-coordinate geometry to two equivalent Na1+ and three Rh+3.38+ atoms. In the ninth O2- site, O2- is bonded to two equivalent Na1+ and three Rh+3.38+ atoms to form distorted ONa2Rh3 square pyramids that share corners with four ONaCdRh3 trigonal bipyramids, edges with four ONa2Rh3 square pyramids, and edges with three ONaCdRh3 trigonal bipyramids. In the tenth O2- site, O2- is bonded to two equivalent Na1+ and three Rh+3.38+ atoms to form distorted ONa2Rh3 square pyramids that share corners with four ONaCdRh3 trigonal bipyramids, edges with four ONa2Rh3 square pyramids, and edges with three ONaCdRh3 trigonal bipyramids. In the eleventh O2- site, O2- is bonded to three Rh+3.38+ and two equivalent Cd2+ atoms to form distorted OCd2Rh3 square pyramids that share corners with four ONaCdRh3 trigonal bipyramids, edges with four ONa2Rh3 square pyramids, and edges with three ONaCdRh3 trigonal bipyramids. In the twelfth O2- site, O2- is bonded to two equivalent Na1+ and three Rh+3.38+ atoms to form distorted ONa2Rh3 square pyramids that share corners with four ONaCdRh3 trigonal bipyramids, edges with four ONa2Rh3 square pyramids, and edges with three ONaCdRh3 trigonal bipyramids. In the thirteenth O2- site, O2- is bonded in a 5-coordinate geometry to two equivalent Na1+ and three Rh+3.38+ atoms. In the fourteenth O2- site, O2- is bonded in a 5-coordinate geometry to two equivalent Na1+ and three Rh+3.38+ atoms. In the fifteenth O2- site, O2- is bonded in a 5-coordinate geometry to three Rh+3.38+ and two equivalent Cd2+ atoms. In the sixteenth O2- site, O2- is bonded in a 5-coordinate geometry to two equivalent Na1+ and three Rh+3.38+ atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on Ca7(B7Rh10)2 by Materials Project

Ca7(Rh10B7)2 crystallizes in the orthorhombic Fmmm space group. The structure is three-dimensional. there are five inequivalent Ca sites. In the first Ca site, Ca is bonded in a 12-coordinate geometry to two Ca, twelve Rh, and six equivalent B atoms. There are one shorter (2.99 Å) and one longer (3.07 Å) Ca–Ca bond lengths. There are a spread of Ca–Rh bond distances ranging from 3.12–3.21 Å. There are four shorter (3.24 Å) and two longer (3.25 Å) Ca–B bond lengths. In the second Ca site, Ca is bonded in a 6-coordinate geometry to one Ca, ten Rh, and six equivalent B atoms. There are a spread of Ca–Rh bond distances ranging from 3.03–3.29 Å. There are two shorter (2.95 Å) and four longer (3.22 Å) Ca–B bond lengths. In the third Ca site, Ca is bonded in a 12-coordinate geometry to two equivalent Ca, twelve Rh, and six equivalent B atoms. Both Ca–Ca bond lengths are 2.96 Å. There are four shorter (3.16 Å) and eight longer (3.17 Å) Ca–Rh bond lengths. There are four shorter (3.23 Å) and two longer (3.26 Å) Ca–B bond lengths. In the fourth Ca site, Ca is bonded in a 12-coordinate geometry to two Ca, twelve Rh, and six equivalent B atoms. There are a spread of Ca–Rh bond distances ranging from 3.14–3.19 Å. There are four shorter (3.23 Å) and two longer (3.25 Å) Ca–B bond lengths. In the fifth Ca site, Ca is bonded in a 12-coordinate geometry to two Ca, twelve Rh, and six equivalent B atoms. There are one shorter (2.96 Å) and one longer (2.99 Å) Ca–Ca bond lengths. There are a spread of Ca–Rh bond distances ranging from 3.14–3.19 Å. There are four shorter (3.23 Å) and two longer (3.25 Å) Ca–B bond lengths. There are seven inequivalent Rh sites. In the first Rh site, Rh is bonded in a 4-coordinate geometry to four equivalent Ca and four equivalent B atoms. All Rh–B bond lengths are 2.13 Å. In the second Rh site, Rh is bonded in a distorted square co-planar geometry to four Ca and four B atoms. There are two shorter (2.18 Å) and two longer (2.21 Å) Rh–B bond lengths. In the third Rh site, Rh is bonded in a distorted square co-planar geometry to four Ca and four B atoms. There are two shorter (2.18 Å) and two longer (2.19 Å) Rh–B bond lengths. In the fourth Rh site, Rh is bonded in a distorted square co-planar geometry to four Ca and four B atoms. There are two shorter (2.18 Å) and two longer (2.19 Å) Rh–B bond lengths. In the fifth Rh site, Rh is bonded in a distorted square co-planar geometry to four Ca and four B atoms. There are two shorter (2.14 Å) and two longer (2.20 Å) Rh–B bond lengths. In the sixth Rh site, Rh is bonded in a distorted square co-planar geometry to four Ca and four B atoms. All Rh–B bond lengths are 2.18 Å. In the seventh Rh site, Rh is bonded in a distorted square co-planar geometry to four Ca and four B atoms. There are two shorter (2.18 Å) and two longer (2.19 Å) Rh–B bond lengths. There are five inequivalent B sites. In the first B site, B is bonded in a 5-coordinate geometry to three equivalent Ca and five Rh atoms. In the second B site, B is bonded in a 6-coordinate geometry to three equivalent Ca and six Rh atoms. All B–Rh bond lengths are 2.18 Å. In the third B site, B is bonded in a 6-coordinate geometry to three equivalent Ca and six Rh atoms. There are two shorter (3.23 Å) and one longer (3.26 Å) B–Ca bond lengths. Both B–Rh bond lengths are 2.18 Å. In the fourth B site, B is bonded in a 6-coordinate geometry to three equivalent Ca and six Rh atoms. In the fifth B site, B is bonded in a 6-coordinate geometry to three equivalent Ca and six Rh atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on Dy20In40Rh19 by Materials Project

Dy20Rh19In40 crystallizes in the tetragonal P-4m2 space group. The structure is three-dimensional. there are five inequivalent Dy sites. In the first Dy site, Dy is bonded in a 4-coordinate geometry to four equivalent Rh and eight In atoms. All Dy–Rh bond lengths are 2.98 Å. There are a spread of Dy–In bond distances ranging from 3.28–3.47 Å. In the second Dy site, Dy is bonded in a 4-coordinate geometry to four Rh and eight In atoms. There are two shorter (3.03 Å) and two longer (3.07 Å) Dy–Rh bond lengths. There are a spread of Dy–In bond distances ranging from 3.34–3.36 Å. In the third Dy site, Dy is bonded in a 2-coordinate geometry to two equivalent Rh and five In atoms. Both Dy–Rh bond lengths are 2.91 Å. There are a spread of Dy–In bond distances ranging from 3.12–3.42 Å. In the fourth Dy site, Dy is bonded in a 2-coordinate geometry to two equivalent Rh and seven In atoms. Both Dy–Rh bond lengths are 2.93 Å. There are a spread of Dy–In bond distances ranging from 3.13–3.46 Å. In the fifth Dy site, Dy is bonded in a 3-coordinate geometry to four Rh and ten In atoms. There are a spread of Dy–Rh bond distances ranging from 3.06–3.62 Å. There are a spread of Dy–In bond distances ranging from 3.18–3.74 Å. There are six inequivalent Rh sites. In the first Rh site, Rh is bonded in a 10-coordinate geometry to three Dy and six In atoms. There are a spread of Rh–In bond distances ranging from 2.73–3.00 Å. In the second Rh site, Rh is bonded in a 10-coordinate geometry to three Dy and six In atoms. There are a spread of Rh–In bond distances ranging from 2.73–2.99 Å. In the third Rh site, Rh is bonded in a 8-coordinate geometry to eight In atoms. There are four shorter (2.72 Å) and four longer (2.90 Å) Rh–In bond lengths. In the fourth Rh site, Rh is bonded in a distorted hexagonal bipyramidal geometry to eight In atoms. There are four shorter (2.70 Å) and four longer (2.91 Å) Rh–In bond lengths. In the fifth Rh site, Rh is bonded in a 9-coordinate geometry to five Dy and five In atoms. There are a spread of Rh–In bond distances ranging from 2.83–2.86 Å. In the sixth Rh site, Rh is bonded in a 8-coordinate geometry to eight In atoms. There are four shorter (2.74 Å) and four longer (2.90 Å) Rh–In bond lengths. There are nine inequivalent In sites. In the first In site, In is bonded in a 3-coordinate geometry to four Dy and three Rh atoms. In the second In site, In is bonded in a 2-coordinate geometry to two equivalent Dy and two equivalent Rh atoms. In the third In site, In is bonded in a 2-coordinate geometry to five Dy, three Rh, and five In atoms. There are a spread of In–In bond distances ranging from 3.23–3.32 Å. In the fourth In site, In is bonded in a 7-coordinate geometry to five Dy, three Rh, and five In atoms. There are one shorter (3.22 Å) and two longer (3.32 Å) In–In bond lengths. In the fifth In site, In is bonded in a 11-coordinate geometry to four Dy, three Rh, and two equivalent In atoms. In the sixth In site, In is bonded in a 3-coordinate geometry to six Dy and three Rh atoms. In the seventh In site, In is bonded in a 11-coordinate geometry to four Dy, three Rh, and two equivalent In atoms. In the eighth In site, In is bonded in a 2-coordinate geometry to two equivalent Dy, two Rh, and one In atom. In the ninth In site, In is bonded in a 3-coordinate geometry to two equivalent Dy, three Rh, and one In atom.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on Ho20In40Rh19 by Materials Project

Ho20Rh19In40 crystallizes in the tetragonal P-4m2 space group. The structure is three-dimensional. there are five inequivalent Ho sites. In the first Ho site, Ho is bonded in a 4-coordinate geometry to four equivalent Rh and eight In atoms. All Ho–Rh bond lengths are 3.00 Å. There are four shorter (3.28 Å) and four longer (3.46 Å) Ho–In bond lengths. In the second Ho site, Ho is bonded in a 4-coordinate geometry to four Rh and eight In atoms. There are two shorter (3.02 Å) and two longer (3.05 Å) Ho–Rh bond lengths. There are two shorter (3.34 Å) and six longer (3.35 Å) Ho–In bond lengths. In the third Ho site, Ho is bonded in a 3-coordinate geometry to four Rh and ten In atoms. There are a spread of Ho–Rh bond distances ranging from 3.06–3.58 Å. There are a spread of Ho–In bond distances ranging from 3.18–3.73 Å. In the fourth Ho site, Ho is bonded in a 2-coordinate geometry to two equivalent Rh and five In atoms. Both Ho–Rh bond lengths are 2.90 Å. There are a spread of Ho–In bond distances ranging from 3.11–3.40 Å. In the fifth Ho site, Ho is bonded in a 2-coordinate geometry to two equivalent Rh and seven In atoms. Both Ho–Rh bond lengths are 2.93 Å. There are a spread of Ho–In bond distances ranging from 3.11–3.44 Å. There are six inequivalent Rh sites. In the first Rh site, Rh is bonded in a 9-coordinate geometry to five Ho and five In atoms. There are a spread of Rh–In bond distances ranging from 2.82–2.86 Å. In the second Rh site, Rh is bonded in a 10-coordinate geometry to three Ho and six In atoms. There are a spread of Rh–In bond distances ranging from 2.73–2.98 Å. In the third Rh site, Rh is bonded in a 8-coordinate geometry to eight In atoms. There are four shorter (2.72 Å) and four longer (2.88 Å) Rh–In bond lengths. In the fourth Rh site, Rh is bonded in a 8-coordinate geometry to eight In atoms. There are four shorter (2.74 Å) and four longer (2.88 Å) Rh–In bond lengths. In the fifth Rh site, Rh is bonded in a distorted hexagonal bipyramidal geometry to eight In atoms. There are four shorter (2.69 Å) and four longer (2.89 Å) Rh–In bond lengths. In the sixth Rh site, Rh is bonded in a 10-coordinate geometry to three Ho and six In atoms. There are a spread of Rh–In bond distances ranging from 2.73–2.97 Å. There are nine inequivalent In sites. In the first In site, In is bonded in a 2-coordinate geometry to two equivalent Ho, two Rh, and one In atom. The In–In bond length is 3.23 Å. In the second In site, In is bonded in a 3-coordinate geometry to two equivalent Ho, three Rh, and one In atom. The In–In bond length is 3.22 Å. In the third In site, In is bonded in a 3-coordinate geometry to four Ho and three Rh atoms. In the fourth In site, In is bonded in a 2-coordinate geometry to two equivalent Ho and two equivalent Rh atoms. In the fifth In site, In is bonded in a 11-coordinate geometry to four Ho, three Rh, and two equivalent In atoms. Both In–In bond lengths are 3.31 Å. In the sixth In site, In is bonded in a 3-coordinate geometry to six Ho and three Rh atoms. In the seventh In site, In is bonded in a 11-coordinate geometry to four Ho, three Rh, and two equivalent In atoms. Both In–In bond lengths are 3.31 Å. In the eighth In site, In is bonded in a 2-coordinate geometry to five Ho, three Rh, and five In atoms. Both In–In bond lengths are 3.25 Å. In the ninth In site, In is bonded in a 7-coordinate geometry to five Ho, three Rh, and five In atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on Tb20In40Rh19 by Materials Project

Tb20Rh19In40 crystallizes in the tetragonal P-4m2 space group. The structure is three-dimensional. there are five inequivalent Tb sites. In the first Tb site, Tb is bonded in a 9-coordinate geometry to four Rh and ten In atoms. There are a spread of Tb–Rh bond distances ranging from 3.07–3.60 Å. There are a spread of Tb–In bond distances ranging from 3.19–3.75 Å. In the second Tb site, Tb is bonded in a 12-coordinate geometry to four Rh and eight In atoms. There are two shorter (3.05 Å) and two longer (3.09 Å) Tb–Rh bond lengths. There are six shorter (3.35 Å) and two longer (3.36 Å) Tb–In bond lengths. In the third Tb site, Tb is bonded in a 2-coordinate geometry to three Rh and seven In atoms. There are two shorter (2.93 Å) and one longer (3.48 Å) Tb–Rh bond lengths. There are a spread of Tb–In bond distances ranging from 3.12–3.43 Å. In the fourth Tb site, Tb is bonded in a 2-coordinate geometry to three Rh and seven In atoms. There are two shorter (2.95 Å) and one longer (3.47 Å) Tb–Rh bond lengths. There are a spread of Tb–In bond distances ranging from 3.13–3.47 Å. In the fifth Tb site, Tb is bonded in a 4-coordinate geometry to four equivalent Rh and eight In atoms. All Tb–Rh bond lengths are 3.00 Å. There are a spread of Tb–In bond distances ranging from 3.28–3.47 Å. There are six inequivalent Rh sites. In the first Rh site, Rh is bonded in a 9-coordinate geometry to five Tb and five In atoms. There are a spread of Rh–In bond distances ranging from 2.82–2.88 Å. In the second Rh site, Rh is bonded in a 10-coordinate geometry to four Tb and six In atoms. There are a spread of Rh–In bond distances ranging from 2.73–3.01 Å. In the third Rh site, Rh is bonded in a 8-coordinate geometry to eight In atoms. There are four shorter (2.72 Å) and four longer (2.91 Å) Rh–In bond lengths. In the fourth Rh site, Rh is bonded in a 8-coordinate geometry to eight In atoms. There are four shorter (2.74 Å) and four longer (2.90 Å) Rh–In bond lengths. In the fifth Rh site, Rh is bonded in a 8-coordinate geometry to eight In atoms. There are four shorter (2.69 Å) and four longer (2.91 Å) Rh–In bond lengths. In the sixth Rh site, Rh is bonded in a 10-coordinate geometry to four Tb and six In atoms. There are a spread of Rh–In bond distances ranging from 2.74–2.99 Å. There are nine inequivalent In sites. In the first In site, In is bonded in a 2-coordinate geometry to four Tb and two equivalent Rh atoms. In the second In site, In is bonded in a 9-coordinate geometry to six Tb and three Rh atoms. In the third In site, In is bonded in a 11-coordinate geometry to four Tb, three Rh, and two equivalent In atoms. Both In–In bond lengths are 3.33 Å. In the fourth In site, In is bonded in a 11-coordinate geometry to four Tb, three Rh, and two equivalent In atoms. Both In–In bond lengths are 3.32 Å. In the fifth In site, In is bonded in a 2-coordinate geometry to two equivalent Tb, two Rh, and one In atom. The In–In bond length is 3.23 Å. In the sixth In site, In is bonded in a 2-coordinate geometry to five Tb, three Rh, and five In atoms. Both In–In bond lengths are 3.27 Å. In the seventh In site, In is bonded in a 3-coordinate geometry to two equivalent Tb, three Rh, and one In atom. The In–In bond length is 3.22 Å. In the eighth In site, In is bonded in a 7-coordinate geometry to five Tb, three Rh, and five In atoms. In the ninth In site, In is bonded in a 3-coordinate geometry to four Tb and three Rh atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on V3Rh5 by Materials Project

V3Rh5 crystallizes in the orthorhombic Amm2 space group. The structure is three-dimensional. there are three inequivalent V sites. In the first V site, V is bonded to ten Rh atoms to form distorted VRh10 cuboctahedra that share corners with six equivalent VRh10 cuboctahedra, corners with twelve RhV4Rh8 cuboctahedra, edges with six VRh10 cuboctahedra, edges with twelve RhV4Rh8 cuboctahedra, faces with eight VV2Rh10 cuboctahedra, and faces with eight RhV4Rh8 cuboctahedra. There are a spread of V–Rh bond distances ranging from 2.64–2.72 Å. In the second V site, V is bonded to two equivalent V and ten Rh atoms to form distorted VV2Rh10 cuboctahedra that share corners with eight RhV6Rh6 cuboctahedra, corners with ten VV2Rh10 cuboctahedra, edges with two equivalent VV2Rh8 cuboctahedra, edges with sixteen RhV4Rh8 cuboctahedra, faces with ten VRh10 cuboctahedra, and faces with ten RhV4Rh8 cuboctahedra. Both V–V bond lengths are 2.72 Å. There are a spread of V–Rh bond distances ranging from 2.65–2.77 Å. In the third V site, V is bonded to two equivalent V and eight Rh atoms to form distorted VV2Rh8 cuboctahedra that share corners with eight RhV6Rh6 cuboctahedra, corners with ten VV2Rh10 cuboctahedra, edges with eight VRh10 cuboctahedra, edges with ten RhV6Rh6 cuboctahedra, faces with four VRh10 cuboctahedra, and faces with twelve RhV4Rh8 cuboctahedra. There are a spread of V–Rh bond distances ranging from 2.65–2.74 Å. There are six inequivalent Rh sites. In the first Rh site, Rh is bonded to four V and eight Rh atoms to form distorted RhV4Rh8 cuboctahedra that share corners with four equivalent VRh10 cuboctahedra, corners with fourteen RhV6Rh6 cuboctahedra, edges with six VRh10 cuboctahedra, edges with twelve RhV6Rh6 cuboctahedra, faces with ten VRh10 cuboctahedra, and faces with ten RhV4Rh8 cuboctahedra. There are six shorter (2.66 Å) and two longer (2.75 Å) Rh–Rh bond lengths. In the second Rh site, Rh is bonded to six V and six Rh atoms to form distorted RhV6Rh6 cuboctahedra that share corners with eight VRh10 cuboctahedra, corners with ten RhV6Rh6 cuboctahedra, edges with seven VRh10 cuboctahedra, edges with ten RhV4Rh8 cuboctahedra, faces with five VRh10 cuboctahedra, and faces with fourteen RhV4Rh8 cuboctahedra. There are a spread of Rh–Rh bond distances ranging from 2.71–2.74 Å. In the third Rh site, Rh is bonded to six V and six Rh atoms to form distorted RhV6Rh6 cuboctahedra that share corners with eight VRh10 cuboctahedra, corners with ten RhV6Rh6 cuboctahedra, edges with seven VRh10 cuboctahedra, edges with ten RhV4Rh8 cuboctahedra, faces with five VRh10 cuboctahedra, and faces with fourteen RhV4Rh8 cuboctahedra. Both Rh–V bond lengths are 2.64 Å. Both Rh–Rh bond lengths are 2.74 Å. In the fourth Rh site, Rh is bonded to six V and six Rh atoms to form distorted RhV6Rh6 cuboctahedra that share corners with four VRh10 cuboctahedra, corners with fourteen RhV4Rh8 cuboctahedra, edges with eight RhV4Rh8 cuboctahedra, edges with nine VRh10 cuboctahedra, faces with five VRh10 cuboctahedra, and faces with fourteen RhV4Rh8 cuboctahedra. Both Rh–V bond lengths are 2.65 Å. There are two shorter (2.72 Å) and two longer (2.74 Å) Rh–Rh bond lengths. In the fifth Rh site, Rh is bonded to six V and six Rh atoms to form distorted RhV6Rh6 cuboctahedra that share corners with four VRh10 cuboctahedra, corners with fourteen RhV4Rh8 cuboctahedra, edges with eight RhV4Rh8 cuboctahedra, edges with nine VRh10 cuboctahedra, faces with five VRh10 cuboctahedra, and faces with fourteen RhV4Rh8 cuboctahedra. In the sixth Rh site, Rh is bonded to six V and six Rh atoms to form distorted RhV6Rh6 cuboctahedra that share corners with eight VRh10 cuboctahedra, corners with ten RhV6Rh6 cuboctahedra, edges with seven VRh10 cuboctahedra, edges with ten RhV4Rh8 cuboctahedra, faces with five VRh10 cuboctahedra, and faces with fourteen RhV4Rh8 cuboctahedra. There are a spread of Rh–Rh bond distances ranging from 2.66–2.73 Å.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on Ti7B8(IrRh2)2 by Materials Project

Ti7B8(IrRh2)2 crystallizes in the monoclinic Pm space group. The structure is three-dimensional. there are seven inequivalent Ti sites. In the first Ti site, Ti is bonded to twelve B atoms to form face-sharing TiB12 cuboctahedra. All Ti–B bond lengths are 2.40 Å. In the second Ti site, Ti is bonded in a 11-coordinate geometry to four Ir, two equivalent Rh, and five B atoms. There are two shorter (2.69 Å) and two longer (2.89 Å) Ti–Ir bond lengths. Both Ti–Rh bond lengths are 2.72 Å. There are a spread of Ti–B bond distances ranging from 2.34–2.61 Å. In the third Ti site, Ti is bonded in a 11-coordinate geometry to two equivalent Ir, four Rh, and five B atoms. Both Ti–Ir bond lengths are 2.68 Å. There are two shorter (2.72 Å) and two longer (2.89 Å) Ti–Rh bond lengths. There are a spread of Ti–B bond distances ranging from 2.34–2.61 Å. In the fourth Ti site, Ti is bonded in a 11-coordinate geometry to two equivalent Ir, four Rh, and five B atoms. Both Ti–Ir bond lengths are 2.88 Å. There are two shorter (2.68 Å) and two longer (2.72 Å) Ti–Rh bond lengths. There are a spread of Ti–B bond distances ranging from 2.35–2.61 Å. In the fifth Ti site, Ti is bonded in a 11-coordinate geometry to two equivalent Ir, four Rh, and five B atoms. Both Ti–Ir bond lengths are 2.72 Å. There are two shorter (2.68 Å) and two longer (2.87 Å) Ti–Rh bond lengths. There are a spread of Ti–B bond distances ranging from 2.35–2.60 Å. In the sixth Ti site, Ti is bonded in a 11-coordinate geometry to six Rh and five B atoms. There are a spread of Ti–Rh bond distances ranging from 2.68–2.87 Å. There are a spread of Ti–B bond distances ranging from 2.35–2.60 Å. In the seventh Ti site, Ti is bonded in a 11-coordinate geometry to two equivalent Ir, four Rh, and five B atoms. Both Ti–Ir bond lengths are 2.72 Å. There are two shorter (2.68 Å) and two longer (2.87 Å) Ti–Rh bond lengths. There are a spread of Ti–B bond distances ranging from 2.35–2.60 Å. There are two inequivalent Ir sites. In the first Ir site, Ir is bonded in a 2-coordinate geometry to six Ti, one Rh, and three B atoms. The Ir–Rh bond length is 2.80 Å. There are two shorter (2.24 Å) and one longer (2.39 Å) Ir–B bond lengths. In the second Ir site, Ir is bonded in a 12-coordinate geometry to six Ti, one Rh, and three B atoms. The Ir–Rh bond length is 2.81 Å. There are two shorter (2.24 Å) and one longer (2.38 Å) Ir–B bond lengths. There are four inequivalent Rh sites. In the first Rh site, Rh is bonded in a 12-coordinate geometry to six Ti and three B atoms. There are two shorter (2.25 Å) and one longer (2.39 Å) Rh–B bond lengths. In the second Rh site, Rh is bonded in a 10-coordinate geometry to six Ti, one Ir, and three B atoms. There are two shorter (2.24 Å) and one longer (2.40 Å) Rh–B bond lengths. In the third Rh site, Rh is bonded in a 10-coordinate geometry to six Ti, one Ir, and three B atoms. There are two shorter (2.24 Å) and one longer (2.40 Å) Rh–B bond lengths. In the fourth Rh site, Rh is bonded in a 9-coordinate geometry to six Ti and three B atoms. There are two shorter (2.24 Å) and one longer (2.40 Å) Rh–B bond lengths. There are eight inequivalent B sites. In the first B site, B is bonded in a 9-coordinate geometry to six Ti, one Rh, and two B atoms. Both B–B bond lengths are 1.79 Å. In the second B site, B is bonded in a 9-coordinate geometry to six Ti, one Rh, and two B atoms. Both B–B bond lengths are 1.79 Å. In the third B site, B is bonded in a 9-coordinate geometry to six Ti, one Rh, and two B atoms. Both B–B bond lengths are 1.79 Å. In the fourth B site, B is bonded in a 9-coordinate geometry to six Ti, one Ir, and two B atoms. In the fifth B site, B is bonded in a 9-coordinate geometry to six Ti, one Rh, and two B atoms. In the sixth B site, B is bonded in a 9-coordinate geometry to six Ti, one Ir, and two B atoms. In the seventh B site, B is bonded in a 9-coordinate geometry to three Ti, four Ir, and two equivalent Rh atoms. In the eighth B site, B is bonded in a 9-coordinate geometry to three Ti and six Rh atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on ThSc2(BRh)12 by Materials Project

ThSc2(RhB)12 crystallizes in the tetragonal P-4m2 space group. The structure is three-dimensional. Th is bonded in a 12-coordinate geometry to twelve Rh and twelve B atoms. There are four shorter (3.00 Å) and eight longer (3.20 Å) Th–Rh bond lengths. There are a spread of Th–B bond distances ranging from 3.02–3.19 Å. There are three inequivalent Sc sites. In the first Sc site, Sc is bonded in a 12-coordinate geometry to twelve Rh and twelve B atoms. There are a spread of Sc–Rh bond distances ranging from 2.89–3.19 Å. There are a spread of Sc–B bond distances ranging from 3.00–3.17 Å. In the second Sc site, Sc is bonded in a 12-coordinate geometry to twelve Rh and twelve B atoms. There are four shorter (2.91 Å) and eight longer (3.16 Å) Sc–Rh bond lengths. There are eight shorter (3.02 Å) and four longer (3.16 Å) Sc–B bond lengths. In the third Sc site, Sc is bonded in a 12-coordinate geometry to twelve Rh and twelve B atoms. There are four shorter (2.92 Å) and eight longer (3.18 Å) Sc–Rh bond lengths. There are eight shorter (3.02 Å) and four longer (3.12 Å) Sc–B bond lengths. There are six inequivalent Rh sites. In the first Rh site, Rh is bonded in a 5-coordinate geometry to one Th, two equivalent Sc, and five B atoms. There are a spread of Rh–B bond distances ranging from 2.19–2.23 Å. In the second Rh site, Rh is bonded in a 5-coordinate geometry to three Sc and five B atoms. There are four shorter (2.20 Å) and one longer (2.23 Å) Rh–B bond lengths. In the third Rh site, Rh is bonded in a 5-coordinate geometry to two equivalent Th, one Sc, and five B atoms. There are a spread of Rh–B bond distances ranging from 2.21–2.32 Å. In the fourth Rh site, Rh is bonded in a 5-coordinate geometry to two equivalent Th, one Sc, and five B atoms. There are a spread of Rh–B bond distances ranging from 2.20–2.31 Å. In the fifth Rh site, Rh is bonded in a 5-coordinate geometry to one Th, two equivalent Sc, and five B atoms. There are a spread of Rh–B bond distances ranging from 2.21–2.24 Å. In the sixth Rh site, Rh is bonded in a 5-coordinate geometry to three Sc and five B atoms. There are a spread of Rh–B bond distances ranging from 2.20–2.22 Å. There are six inequivalent B sites. In the first B site, B is bonded in a 6-coordinate geometry to three Sc, five Rh, and one B atom. The B–B bond length is 1.81 Å. In the second B site, B is bonded in a 6-coordinate geometry to one Th, two equivalent Sc, five Rh, and one B atom. The B–B bond length is 1.80 Å. In the third B site, B is bonded in a 6-coordinate geometry to one Th, two equivalent Sc, five Rh, and one B atom. The B–B bond length is 1.81 Å. In the fourth B site, B is bonded in a 6-coordinate geometry to three Sc, five Rh, and one B atom. The B–B bond length is 1.81 Å. In the fifth B site, B is bonded in a 6-coordinate geometry to two equivalent Th, one Sc, five Rh, and one B atom. The B–B bond length is 1.78 Å. In the sixth B site, B is bonded in a 6-coordinate geometry to two equivalent Th, one Sc, five Rh, and one B atom. The B–B bond length is 1.78 Å.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on YU2(BRh)12 by Materials Project

U2Y(RhB)12 crystallizes in the tetragonal P-4m2 space group. The structure is three-dimensional. there are three inequivalent U sites. In the first U site, U is bonded in a 12-coordinate geometry to twelve Rh and twelve B atoms. There are a spread of U–Rh bond distances ranging from 2.96–3.18 Å. There are a spread of U–B bond distances ranging from 3.02–3.18 Å. In the second U site, U is bonded in a 12-coordinate geometry to twelve Rh and twelve B atoms. There are four shorter (2.96 Å) and eight longer (3.17 Å) U–Rh bond lengths. There are eight shorter (3.02 Å) and four longer (3.16 Å) U–B bond lengths. In the third U site, U is bonded in a 12-coordinate geometry to twelve Rh and twelve B atoms. There are four shorter (2.97 Å) and eight longer (3.18 Å) U–Rh bond lengths. There are eight shorter (3.02 Å) and four longer (3.20 Å) U–B bond lengths. Y is bonded in a 12-coordinate geometry to twelve Rh and twelve B atoms. There are four shorter (2.98 Å) and eight longer (3.18 Å) Y–Rh bond lengths. There are a spread of Y–B bond distances ranging from 3.03–3.19 Å. There are six inequivalent Rh sites. In the first Rh site, Rh is bonded in a 5-coordinate geometry to two equivalent U, one Y, and five B atoms. There are a spread of Rh–B bond distances ranging from 2.22–2.24 Å. In the second Rh site, Rh is bonded in a 5-coordinate geometry to three U and five B atoms. There are a spread of Rh–B bond distances ranging from 2.22–2.27 Å. In the third Rh site, Rh is bonded in a 5-coordinate geometry to one U, two equivalent Y, and five B atoms. There are a spread of Rh–B bond distances ranging from 2.21–2.28 Å. In the fourth Rh site, Rh is bonded in a 5-coordinate geometry to one U, two equivalent Y, and five B atoms. There are a spread of Rh–B bond distances ranging from 2.21–2.28 Å. In the fifth Rh site, Rh is bonded in a 5-coordinate geometry to two equivalent U, one Y, and five B atoms. There are two shorter (2.22 Å) and three longer (2.23 Å) Rh–B bond lengths. In the sixth Rh site, Rh is bonded in a 5-coordinate geometry to three U and five B atoms. There are a spread of Rh–B bond distances ranging from 2.22–2.26 Å. There are six inequivalent B sites. In the first B site, B is bonded in a 6-coordinate geometry to three U, five Rh, and one B atom. The B–B bond length is 1.78 Å. In the second B site, B is bonded in a 6-coordinate geometry to two equivalent U, one Y, five Rh, and one B atom. The B–B bond length is 1.78 Å. In the third B site, B is bonded in a 6-coordinate geometry to two equivalent U, one Y, five Rh, and one B atom. The B–B bond length is 1.78 Å. In the fourth B site, B is bonded in a 6-coordinate geometry to three U, five Rh, and one B atom. The B–B bond length is 1.78 Å. In the fifth B site, B is bonded in a 6-coordinate geometry to one U, two equivalent Y, five Rh, and one B atom. The B–B bond length is 1.81 Å. In the sixth B site, B is bonded in a 6-coordinate geometry to one U, two equivalent Y, five Rh, and one B atom. The B–B bond length is 1.80 Å.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on La15Cd2Rh5 by Materials Project

La15Rh5Cd2 crystallizes in the trigonal R3m space group. The structure is three-dimensional. there are twelve inequivalent La sites. In the first La site, La is bonded in a distorted water-like geometry to two equivalent Rh atoms. Both La–Rh bond lengths are 2.92 Å. In the second La site, La is bonded in a 3-coordinate geometry to three Rh and three Cd atoms. There are two shorter (2.95 Å) and one longer (2.99 Å) La–Rh bond lengths. There are two shorter (3.59 Å) and one longer (3.64 Å) La–Cd bond lengths. In the third La site, La is bonded in a distorted water-like geometry to four Rh and one Cd atom. There are two shorter (2.89 Å) and two longer (3.70 Å) La–Rh bond lengths. The La–Cd bond length is 3.46 Å. In the fourth La site, La is bonded in a 3-coordinate geometry to two equivalent Rh and one Cd atom. Both La–Rh bond lengths are 3.65 Å. The La–Cd bond length is 3.49 Å. In the fifth La site, La is bonded in a 4-coordinate geometry to two Rh and two equivalent Cd atoms. There are one shorter (3.42 Å) and one longer (3.67 Å) La–Rh bond lengths. Both La–Cd bond lengths are 3.49 Å. In the sixth La site, La is bonded in a distorted bent 150 degrees geometry to two equivalent Rh and two Cd atoms. Both La–Rh bond lengths are 2.91 Å. There are one shorter (3.73 Å) and one longer (3.79 Å) La–Cd bond lengths. In the seventh La site, La is bonded in a 3-coordinate geometry to three Rh atoms. There are two shorter (3.02 Å) and one longer (3.07 Å) La–Rh bond lengths. In the eighth La site, La is bonded in a distorted bent 150 degrees geometry to two Rh and two equivalent Cd atoms. There are one shorter (2.85 Å) and one longer (2.92 Å) La–Rh bond lengths. Both La–Cd bond lengths are 3.73 Å. In the ninth La site, La is bonded in a 3-coordinate geometry to three Rh atoms. There are two shorter (2.95 Å) and one longer (3.22 Å) La–Rh bond lengths. In the tenth La site, La is bonded in a 3-coordinate geometry to three equivalent Rh atoms. All La–Rh bond lengths are 3.00 Å. In the eleventh La site, La is bonded in a 3-coordinate geometry to three equivalent Rh and three equivalent Cd atoms. All La–Rh bond lengths are 2.94 Å. All La–Cd bond lengths are 3.59 Å. In the twelfth La site, La is bonded in a 3-coordinate geometry to three equivalent Rh atoms. All La–Rh bond lengths are 2.99 Å. There are four inequivalent Rh sites. In the first Rh site, Rh is bonded in a 6-coordinate geometry to six La atoms. In the second Rh site, Rh is bonded in a 9-coordinate geometry to nine La atoms. In the third Rh site, Rh is bonded in a 6-coordinate geometry to eight La atoms. In the fourth Rh site, Rh is bonded in a 6-coordinate geometry to nine La atoms. There are two inequivalent Cd sites. In the first Cd site, Cd is bonded to nine La and three equivalent Cd atoms to form face-sharing CdLa9Cd3 cuboctahedra. All Cd–Cd bond lengths are 3.18 Å. In the second Cd site, Cd is bonded to nine La and three Cd atoms to form a mixture of distorted corner and face-sharing CdLa9Cd3 cuboctahedra. Both Cd–Cd bond lengths are 3.23 Å.

36 MATERIALS SCIENCE↗