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DOE OSTI2020

Materials Data on Ho2SnAu2 by Materials Project

Ho2Au2Sn crystallizes in the tetragonal P4_2/mnm space group. The structure is three-dimensional. there are two inequivalent Ho sites. In the first Ho site, Ho is bonded in a 6-coordinate geometry to six equivalent Au and four equivalent Sn atoms. There are two shorter (2.93 Å) and four longer (3.08 Å) Ho–Au bond lengths. All Ho–Sn bond lengths are 3.52 Å. In the second Ho site, Ho is bonded in a 6-coordinate geometry to six equivalent Au and four equivalent Sn atoms. There are two shorter (2.96 Å) and four longer (3.01 Å) Ho–Au bond lengths. All Ho–Sn bond lengths are 3.45 Å. Au is bonded in a 8-coordinate geometry to six Ho and two equivalent Sn atoms. Both Au–Sn bond lengths are 3.13 Å. Sn is bonded to eight Ho and four equivalent Au atoms to form a mixture of distorted face and corner-sharing SnHo8Au4 cuboctahedra.

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Materials Data on Ho3Ga5 by Materials Project

Ho3Ga5 crystallizes in the orthorhombic Pnma space group. The structure is three-dimensional. there are two inequivalent Ho sites. In the first Ho site, Ho is bonded in a 5-coordinate geometry to nine Ga atoms. There are a spread of Ho–Ga bond distances ranging from 2.84–3.28 Å. In the second Ho site, Ho is bonded in a 10-coordinate geometry to ten Ga atoms. There are a spread of Ho–Ga bond distances ranging from 2.97–3.30 Å. There are four inequivalent Ga sites. In the first Ga site, Ga is bonded in a 10-coordinate geometry to six Ho and four Ga atoms. There are a spread of Ga–Ga bond distances ranging from 2.66–2.88 Å. In the second Ga site, Ga is bonded in a 1-coordinate geometry to five Ho and five Ga atoms. There are a spread of Ga–Ga bond distances ranging from 2.66–3.05 Å. In the third Ga site, Ga is bonded in a 10-coordinate geometry to six Ho and four Ga atoms. In the fourth Ga site, Ga is bonded in a 9-coordinate geometry to six Ho and three Ga atoms.

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Materials Data on Ho3Er by Materials Project

ErHo3 is Copper-derived structured and crystallizes in the tetragonal I4/mmm space group. The structure is three-dimensional. Er is bonded to twelve Ho atoms to form ErHo12 cuboctahedra that share corners with four equivalent ErHo12 cuboctahedra, corners with eight equivalent HoHo8Er4 cuboctahedra, edges with eight equivalent ErHo12 cuboctahedra, edges with sixteen equivalent HoHo8Er4 cuboctahedra, faces with four equivalent ErHo12 cuboctahedra, and faces with fourteen HoHo8Er4 cuboctahedra. All Er–Ho bond lengths are 3.52 Å. There are two inequivalent Ho sites. In the first Ho site, Ho is bonded to four equivalent Er and eight Ho atoms to form HoHo8Er4 cuboctahedra that share corners with twelve equivalent HoHo8Er4 cuboctahedra, edges with eight equivalent ErHo12 cuboctahedra, edges with sixteen HoHo8Er4 cuboctahedra, faces with four equivalent ErHo12 cuboctahedra, and faces with fourteen HoHo8Er4 cuboctahedra. All Ho–Ho bond lengths are 3.52 Å. In the second Ho site, Ho is bonded to four equivalent Er and eight equivalent Ho atoms to form HoHo8Er4 cuboctahedra that share corners with four equivalent HoHo8Er4 cuboctahedra, corners with eight equivalent ErHo12 cuboctahedra, edges with twenty-four HoHo8Er4 cuboctahedra, faces with six equivalent ErHo12 cuboctahedra, and faces with twelve HoHo8Er4 cuboctahedra.

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Materials Data on Ho3(FeGe)4 by Materials Project

Ho3(FeGe)4 crystallizes in the orthorhombic Immm space group. The structure is three-dimensional. there are two inequivalent Ho sites. In the first Ho site, Ho is bonded in a 12-coordinate geometry to six equivalent Fe and six Ge atoms. There are two shorter (2.92 Å) and four longer (3.06 Å) Ho–Fe bond lengths. There are two shorter (2.92 Å) and four longer (3.03 Å) Ho–Ge bond lengths. In the second Ho site, Ho is bonded to six Ge atoms to form distorted edge-sharing HoGe6 octahedra. There are four shorter (2.93 Å) and two longer (2.98 Å) Ho–Ge bond lengths. Fe is bonded in a 4-coordinate geometry to three equivalent Ho, one Fe, and four Ge atoms. The Fe–Fe bond length is 2.43 Å. There are a spread of Fe–Ge bond distances ranging from 2.50–2.57 Å. There are two inequivalent Ge sites. In the first Ge site, Ge is bonded in a 9-coordinate geometry to three Ho and six equivalent Fe atoms. In the second Ge site, Ge is bonded in a 9-coordinate geometry to six Ho, two equivalent Fe, and one Ge atom. The Ge–Ge bond length is 2.63 Å.

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Materials Data on Ho3(P3Pd10)2 by Materials Project

Ho3(Pd10P3)2 crystallizes in the cubic Fm-3m space group. The structure is three-dimensional. there are two inequivalent Ho sites. In the first Ho site, Ho is bonded to sixteen Pd atoms to form distorted HoPd16 tetrahedra that share edges with six equivalent HoPd16 tetrahedra and faces with four equivalent HoP6Pd12 cuboctahedra. There are four shorter (2.84 Å) and twelve longer (3.35 Å) Ho–Pd bond lengths. In the second Ho site, Ho is bonded to twelve equivalent Pd and six equivalent P atoms to form distorted face-sharing HoP6Pd12 cuboctahedra. All Ho–Pd bond lengths are 2.99 Å. All Ho–P bond lengths are 3.24 Å. There are two inequivalent Pd sites. In the first Pd site, Pd is bonded in a 4-coordinate geometry to one Ho, six equivalent Pd, and three equivalent P atoms. All Pd–Pd bond lengths are 3.04 Å. All Pd–P bond lengths are 2.49 Å. In the second Pd site, Pd is bonded in a 6-coordinate geometry to three Ho, nine Pd, and two equivalent P atoms. There are one shorter (2.69 Å) and four longer (2.99 Å) Pd–Pd bond lengths. Both Pd–P bond lengths are 2.40 Å. P is bonded in a 9-coordinate geometry to one Ho and eight Pd atoms.

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Materials Data on Ho3Al2 by Materials Project

Al2Ho3 crystallizes in the tetragonal P4_2/mnm space group. The structure is three-dimensional. there are three inequivalent Ho sites. In the first Ho site, Ho is bonded in a 6-coordinate geometry to six equivalent Al atoms. There are two shorter (3.08 Å) and four longer (3.11 Å) Ho–Al bond lengths. In the second Ho site, Ho is bonded in a distorted square co-planar geometry to four equivalent Al atoms. All Ho–Al bond lengths are 3.26 Å. In the third Ho site, Ho is bonded in a 6-coordinate geometry to six equivalent Al atoms. There are two shorter (3.06 Å) and four longer (3.17 Å) Ho–Al bond lengths. Al is bonded in a 9-coordinate geometry to eight Ho and one Al atom. The Al–Al bond length is 2.78 Å.

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Materials Data on Ho3MnB7 by Materials Project

Ho3MnB7 crystallizes in the orthorhombic Cmcm space group. The structure is three-dimensional. there are two inequivalent Ho sites. In the first Ho site, Ho is bonded in a 11-coordinate geometry to eleven B atoms. There are a spread of Ho–B bond distances ranging from 2.60–2.71 Å. In the second Ho site, Ho is bonded in a 12-coordinate geometry to ten B atoms. There are a spread of Ho–B bond distances ranging from 2.59–2.66 Å. Mn is bonded in a 10-coordinate geometry to ten B atoms. There are two shorter (2.26 Å) and eight longer (2.27 Å) Mn–B bond lengths. There are four inequivalent B sites. In the first B site, B is bonded in a 9-coordinate geometry to six Ho and three B atoms. There is one shorter (1.88 Å) and two longer (1.95 Å) B–B bond length. In the second B site, B is bonded in a 9-coordinate geometry to four Ho, two equivalent Mn, and three B atoms. There is one shorter (1.77 Å) and one longer (1.80 Å) B–B bond length. In the third B site, B is bonded in a 9-coordinate geometry to four equivalent Ho, two equivalent Mn, and three B atoms. There is one shorter (1.71 Å) and one longer (1.94 Å) B–B bond length. In the fourth B site, B is bonded in a 8-coordinate geometry to four equivalent Ho, two equivalent Mn, and two equivalent B atoms.

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Materials Data on CeHo4S7 by Materials Project

Ho4CeS7 crystallizes in the monoclinic C2/m space group. The structure is three-dimensional. there are two inequivalent Ho sites. In the first Ho site, Ho is bonded to six S atoms to form HoS6 octahedra that share a cornercorner with one CeS6 octahedra, corners with two equivalent HoS6 octahedra, corners with six equivalent HoS7 pentagonal bipyramids, edges with five equivalent HoS6 octahedra, and an edgeedge with one HoS7 pentagonal bipyramid. The corner-sharing octahedra tilt angles range from 0–59°. There are a spread of Ho–S bond distances ranging from 2.69–2.81 Å. In the second Ho site, Ho is bonded to seven S atoms to form distorted HoS7 pentagonal bipyramids that share corners with two equivalent CeS6 octahedra, corners with six equivalent HoS6 octahedra, an edgeedge with one HoS6 octahedra, edges with three equivalent CeS6 octahedra, edges with two equivalent HoS7 pentagonal bipyramids, and faces with two equivalent HoS7 pentagonal bipyramids. The corner-sharing octahedra tilt angles range from 22–69°. There are a spread of Ho–S bond distances ranging from 2.74–2.98 Å. Ce is bonded to six S atoms to form CeS6 octahedra that share corners with two equivalent HoS6 octahedra, corners with four equivalent HoS7 pentagonal bipyramids, edges with two equivalent CeS6 octahedra, and edges with six equivalent HoS7 pentagonal bipyramids. The corner-sharing octahedral tilt angles are 59°. There are two shorter (2.77 Å) and four longer (2.82 Å) Ce–S bond lengths. There are four inequivalent S sites. In the first S site, S is bonded to five Ho atoms to form distorted SHo5 trigonal bipyramids that share corners with five equivalent SCeHo3 tetrahedra, corners with four equivalent SCe2Ho3 trigonal bipyramids, an edgeedge with one SCeHo3 tetrahedra, and edges with five SHo5 trigonal bipyramids. In the second S site, S is bonded to three equivalent Ho and two equivalent Ce atoms to form distorted SCe2Ho3 trigonal bipyramids that share corners with four equivalent SCeHo3 tetrahedra, corners with six SHo5 trigonal bipyramids, edges with three equivalent SCeHo3 tetrahedra, and edges with six SHo5 trigonal bipyramids. In the third S site, S is bonded to three Ho and one Ce atom to form distorted SCeHo3 tetrahedra that share corners with three equivalent SCeHo3 tetrahedra, corners with nine SHo5 trigonal bipyramids, and edges with four SHo5 trigonal bipyramids. In the fourth S site, S is bonded in a square co-planar geometry to four equivalent Ho atoms.

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Materials Data on Ho7Rh3 by Materials Project

Ho7Rh3 crystallizes in the hexagonal P6_3mc space group. The structure is three-dimensional. there are three inequivalent Ho sites. In the first Ho site, Ho is bonded in a 3-coordinate geometry to three equivalent Rh atoms. All Ho–Rh bond lengths are 2.80 Å. In the second Ho site, Ho is bonded in a distorted L-shaped geometry to two equivalent Rh atoms. Both Ho–Rh bond lengths are 2.82 Å. In the third Ho site, Ho is bonded in a 3-coordinate geometry to three equivalent Rh atoms. All Ho–Rh bond lengths are 2.87 Å. Rh is bonded in a 6-coordinate geometry to six Ho atoms.

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Materials Data on HoAl3Ni2 by Materials Project

Ni2Al3Ho crystallizes in the hexagonal P6/mmm space group. The structure is three-dimensional. there are two inequivalent Ho sites. In the first Ho site, Ho is bonded in a 6-coordinate geometry to six equivalent Ni and twelve Al atoms. All Ho–Ni bond lengths are 3.10 Å. There are six shorter (3.16 Å) and six longer (3.27 Å) Ho–Al bond lengths. In the second Ho site, Ho is bonded in a hexagonal planar geometry to six equivalent Ni atoms. All Ho–Ni bond lengths are 2.81 Å. Ni is bonded in a 9-coordinate geometry to three Ho and six Al atoms. There are four shorter (2.46 Å) and two longer (2.48 Å) Ni–Al bond lengths. There are two inequivalent Al sites. In the first Al site, Al is bonded in a 12-coordinate geometry to four equivalent Ho and four equivalent Ni atoms. In the second Al site, Al is bonded in a 12-coordinate geometry to two equivalent Ho and four equivalent Ni atoms.

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Materials Data on Ho5BiPd2 by Materials Project

Ho5Pd2Bi crystallizes in the tetragonal I4/mcm space group. The structure is three-dimensional. there are two inequivalent Ho sites. In the first Ho site, Ho is bonded to four equivalent Pd and two equivalent Bi atoms to form distorted HoBi2Pd4 octahedra that share corners with six equivalent HoBi2Pd4 octahedra, corners with sixteen equivalent HoBi2Pd3 trigonal bipyramids, and faces with eight equivalent HoBi2Pd3 trigonal bipyramids. The corner-sharing octahedra tilt angles range from 0–49°. All Ho–Pd bond lengths are 3.03 Å. Both Ho–Bi bond lengths are 3.45 Å. In the second Ho site, Ho is bonded to three equivalent Pd and two equivalent Bi atoms to form distorted HoBi2Pd3 trigonal bipyramids that share corners with four equivalent HoBi2Pd4 octahedra, corners with twelve equivalent HoBi2Pd3 trigonal bipyramids, edges with seven equivalent HoBi2Pd3 trigonal bipyramids, faces with two equivalent HoBi2Pd4 octahedra, and a faceface with one HoBi2Pd3 trigonal bipyramid. The corner-sharing octahedra tilt angles range from 43–63°. All Ho–Pd bond lengths are 2.99 Å. Both Ho–Bi bond lengths are 3.31 Å. Pd is bonded in a 8-coordinate geometry to eight Ho atoms. Bi is bonded in a distorted q6 geometry to ten Ho atoms.

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Materials Data on Ho2Fe17 by Materials Project

Ho2Fe17 crystallizes in the hexagonal P6_3/mmc space group. The structure is three-dimensional. there are two inequivalent Ho sites. In the first Ho site, Ho is bonded in a 12-coordinate geometry to eighteen Fe atoms. There are a spread of Ho–Fe bond distances ranging from 2.97–3.28 Å. In the second Ho site, Ho is bonded in a 8-coordinate geometry to twenty Fe atoms. There are a spread of Ho–Fe bond distances ranging from 2.94–3.20 Å. There are four inequivalent Fe sites. In the first Fe site, Fe is bonded in a 2-coordinate geometry to one Ho and thirteen Fe atoms. There are a spread of Fe–Fe bond distances ranging from 2.37–2.78 Å. In the second Fe site, Fe is bonded to two equivalent Ho and ten Fe atoms to form FeHo2Fe10 cuboctahedra that share corners with fourteen FeHo2Fe10 cuboctahedra, edges with six equivalent FeHo3Fe9 cuboctahedra, and faces with ten FeHo2Fe10 cuboctahedra. There are four shorter (2.45 Å) and four longer (2.46 Å) Fe–Fe bond lengths. In the third Fe site, Fe is bonded in a 12-coordinate geometry to two Ho and ten Fe atoms. There are a spread of Fe–Fe bond distances ranging from 2.46–2.59 Å. In the fourth Fe site, Fe is bonded to three Ho and nine Fe atoms to form a mixture of distorted face, edge, and corner-sharing FeHo3Fe9 cuboctahedra. Both Fe–Fe bond lengths are 2.45 Å.

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Materials Data on YbHo3 by Materials Project

YbHo3 is beta Cu3Ti-like structured and crystallizes in the tetragonal I4/mmm space group. The structure is three-dimensional. Yb is bonded to twelve Ho atoms to form YbHo12 cuboctahedra that share corners with four equivalent YbHo12 cuboctahedra, corners with eight equivalent HoYb4Ho8 cuboctahedra, edges with eight equivalent YbHo12 cuboctahedra, edges with sixteen equivalent HoYb4Ho8 cuboctahedra, faces with four equivalent YbHo12 cuboctahedra, and faces with fourteen HoYb4Ho8 cuboctahedra. There are four shorter (3.56 Å) and eight longer (3.57 Å) Yb–Ho bond lengths. There are two inequivalent Ho sites. In the first Ho site, Ho is bonded to four equivalent Yb and eight Ho atoms to form HoYb4Ho8 cuboctahedra that share corners with twelve equivalent HoYb4Ho8 cuboctahedra, edges with eight equivalent YbHo12 cuboctahedra, edges with sixteen HoYb4Ho8 cuboctahedra, faces with four equivalent YbHo12 cuboctahedra, and faces with fourteen HoYb4Ho8 cuboctahedra. There are four shorter (3.56 Å) and four longer (3.57 Å) Ho–Ho bond lengths. In the second Ho site, Ho is bonded to four equivalent Yb and eight equivalent Ho atoms to form HoYb4Ho8 cuboctahedra that share corners with four equivalent HoYb4Ho8 cuboctahedra, corners with eight equivalent YbHo12 cuboctahedra, edges with twenty-four HoYb4Ho8 cuboctahedra, faces with six equivalent YbHo12 cuboctahedra, and faces with twelve HoYb4Ho8 cuboctahedra.

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Materials Data on Ho3(CoGe2)2 by Materials Project

Ho3(CoGe2)2 crystallizes in the monoclinic C2/m space group. The structure is three-dimensional. there are two inequivalent Ho sites. In the first Ho site, Ho is bonded in a 12-coordinate geometry to four equivalent Co and eight Ge atoms. There are a spread of Ho–Co bond distances ranging from 2.86–3.20 Å. There are a spread of Ho–Ge bond distances ranging from 2.95–3.24 Å. In the second Ho site, Ho is bonded in a 6-coordinate geometry to eight Ge atoms. There are a spread of Ho–Ge bond distances ranging from 2.96–3.32 Å. Co is bonded in a 4-coordinate geometry to four equivalent Ho and four Ge atoms. There are a spread of Co–Ge bond distances ranging from 2.34–2.43 Å. There are two inequivalent Ge sites. In the first Ge site, Ge is bonded in a 10-coordinate geometry to six Ho, three equivalent Co, and one Ge atom. The Ge–Ge bond length is 2.96 Å. In the second Ge site, Ge is bonded in a 6-coordinate geometry to six Ho, one Co, and two equivalent Ge atoms. Both Ge–Ge bond lengths are 2.71 Å.

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Materials Data on Ho5SbPd2 by Materials Project

Ho5Pd2Sb crystallizes in the tetragonal I4/mcm space group. The structure is three-dimensional. there are two inequivalent Ho sites. In the first Ho site, Ho is bonded to four equivalent Pd and two equivalent Sb atoms to form distorted HoSb2Pd4 octahedra that share corners with six equivalent HoSb2Pd4 octahedra, corners with sixteen equivalent HoSb2Pd3 trigonal bipyramids, and faces with eight equivalent HoSb2Pd3 trigonal bipyramids. The corner-sharing octahedra tilt angles range from 0–49°. All Ho–Pd bond lengths are 3.00 Å. Both Ho–Sb bond lengths are 3.41 Å. In the second Ho site, Ho is bonded to three equivalent Pd and two equivalent Sb atoms to form distorted HoSb2Pd3 trigonal bipyramids that share corners with four equivalent HoSb2Pd4 octahedra, corners with twelve equivalent HoSb2Pd3 trigonal bipyramids, edges with seven equivalent HoSb2Pd3 trigonal bipyramids, faces with two equivalent HoSb2Pd4 octahedra, and a faceface with one HoSb2Pd3 trigonal bipyramid. The corner-sharing octahedra tilt angles range from 43–63°. There are one shorter (2.97 Å) and two longer (2.99 Å) Ho–Pd bond lengths. Both Ho–Sb bond lengths are 3.26 Å. Pd is bonded in a 8-coordinate geometry to eight Ho atoms. Sb is bonded in a distorted q6 geometry to ten Ho atoms.

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Materials Data on Ho3Ge4 by Materials Project

Ho3Ge4 crystallizes in the orthorhombic Cmcm space group. The structure is three-dimensional. there are two inequivalent Ho sites. In the first Ho site, Ho is bonded in a 5-coordinate geometry to seven Ge atoms. There are a spread of Ho–Ge bond distances ranging from 2.89–3.17 Å. In the second Ho site, Ho is bonded in a 8-coordinate geometry to eight Ge atoms. There are a spread of Ho–Ge bond distances ranging from 2.98–3.09 Å. There are three inequivalent Ge sites. In the first Ge site, Ge is bonded in a 4-coordinate geometry to four equivalent Ho and four equivalent Ge atoms. All Ge–Ge bond lengths are 2.85 Å. In the second Ge site, Ge is bonded in a 9-coordinate geometry to seven Ho and two equivalent Ge atoms. Both Ge–Ge bond lengths are 2.61 Å. In the third Ge site, Ge is bonded in a 9-coordinate geometry to six Ho and three Ge atoms.

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Materials Data on Ho2Si3Rh by Materials Project

Ho2RhSi3 crystallizes in the hexagonal P6_3/mmc space group. The structure is three-dimensional. there are two inequivalent Ho sites. In the first Ho site, Ho is bonded to twelve equivalent Si atoms to form HoSi12 cuboctahedra that share edges with twelve equivalent HoSi8Rh4 cuboctahedra and faces with eight HoSi12 cuboctahedra. All Ho–Si bond lengths are 3.07 Å. In the second Ho site, Ho is bonded to four equivalent Rh and eight equivalent Si atoms to form a mixture of distorted face and edge-sharing HoSi8Rh4 cuboctahedra. There are two shorter (3.01 Å) and two longer (3.15 Å) Ho–Rh bond lengths. There are four shorter (3.02 Å) and four longer (3.11 Å) Ho–Si bond lengths. Rh is bonded in a 3-coordinate geometry to six equivalent Ho and three equivalent Si atoms. All Rh–Si bond lengths are 2.37 Å. Si is bonded in a 1-coordinate geometry to six Ho, one Rh, and two equivalent Si atoms. Both Si–Si bond lengths are 2.36 Å.

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Materials Data on HoNi3 by Materials Project

HoNi3 crystallizes in the trigonal R-3m space group. The structure is three-dimensional. there are two inequivalent Ho sites. In the first Ho site, Ho is bonded in a 12-coordinate geometry to twelve Ni atoms. There are a spread of Ho–Ni bond distances ranging from 2.83–3.07 Å. In the second Ho site, Ho is bonded in a distorted hexagonal planar geometry to eighteen Ni atoms. There are six shorter (2.85 Å) and twelve longer (3.17 Å) Ho–Ni bond lengths. There are three inequivalent Ni sites. In the first Ni site, Ni is bonded to five Ho and seven Ni atoms to form a mixture of distorted edge, corner, and face-sharing NiHo5Ni7 cuboctahedra. There are a spread of Ni–Ni bond distances ranging from 2.44–2.50 Å. In the second Ni site, Ni is bonded to six equivalent Ho and six equivalent Ni atoms to form NiHo6Ni6 cuboctahedra that share corners with twelve equivalent NiHo5Ni7 cuboctahedra, edges with six equivalent NiHo6Ni6 cuboctahedra, and faces with eighteen equivalent NiHo5Ni7 cuboctahedra. In the third Ni site, Ni is bonded in a 12-coordinate geometry to three equivalent Ho and six equivalent Ni atoms.

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