cometadata/datacite-titles-descriptions-related-identifiers huggingface dataset:
DOI: 10.17188/1713656
title: Materials Data on HoAgSn2 by Materials Project

description: HoAgSn2 is Uranium Silicide-derived structured and crystallizes in the tetragonal P4/mmm space group. The structure is three-dimensional. Ho is bonded to four equivalent Ag and eight equivalent Sn atoms to form HoAg4Sn8 cuboctahedra that share corners with twelve equivalent HoAg4Sn8 cuboctahedra, edges with eight equivalent AgHo4Sn8 cuboctahedra, edges with sixteen equivalent SnHo4Ag4Sn4 cuboctahedra, faces with four equivalent AgHo4Sn8 cuboctahedra, faces with six equivalent HoAg4Sn8 cuboctahedra, and faces with eight equivalent SnHo4Ag4Sn4 cuboctahedra. All Ho–Ag bond lengths are 3.28 Å. All Ho–Sn bond lengths are 3.20 Å. Ag is bonded to four equivalent Ho and eight equivalent Sn atoms to form AgHo4Sn8 cuboctahedra that share corners with twelve equivalent AgHo4Sn8 cuboctahedra, edges with eight equivalent HoAg4Sn8 cuboctahedra, edges with sixteen equivalent SnHo4Ag4Sn4 cuboctahedra, faces with four equivalent HoAg4Sn8 cuboctahedra, faces with six equivalent AgHo4Sn8 cuboctahedra, and faces with eight equivalent SnHo4Ag4Sn4 cuboctahedra. All Ag–Sn bond lengths are 3.20 Å. Sn is bonded to four equivalent Ho, four equivalent Ag, and four equivalent Sn atoms to form distorted SnHo4Ag4Sn4 cuboctahedra that share corners with twelve equivalent SnHo4Ag4Sn4 cuboctahedra, edges with eight equivalent HoAg4Sn8 cuboctahedra, edges with eight equivalent AgHo4Sn8 cuboctahedra, edges with eight equivalent SnHo4Ag4Sn4 cuboctahedra, faces with four equivalent HoAg4Sn8 cuboctahedra, faces with four equivalent AgHo4Sn8 cuboctahedra, and faces with ten equivalent SnHo4Ag4Sn4 cuboctahedra. All Sn–Sn bond lengths are 3.28 Å.
DOI: 10.17188/1713657
title: Materials Data on Ce2Sb4Rh3 by Materials Project

description: Ce2Rh3Sb4 crystallizes in the orthorhombic Pnma space group. The structure is three-dimensional. there are two inequivalent Ce sites. In the first Ce site, Ce is bonded in a 2-coordinate geometry to six Rh and nine Sb atoms. There are a spread of Ce–Rh bond distances ranging from 3.28–3.57 Å. There are a spread of Ce–Sb bond distances ranging from 3.24–3.78 Å. In the second Ce site, Ce is bonded in a 7-coordinate geometry to eight Rh and nine Sb atoms. There are a spread of Ce–Rh bond distances ranging from 3.19–3.72 Å. There are a spread of Ce–Sb bond distances ranging from 3.33–3.81 Å. There are three inequivalent Rh sites. In the first Rh site, Rh is bonded in a 8-coordinate geometry to four Ce and four Sb atoms. There are a spread of Rh–Sb bond distances ranging from 2.61–2.65 Å. In the second Rh site, Rh is bonded in a 10-coordinate geometry to five Ce and five Sb atoms. There are a spread of Rh–Sb bond distances ranging from 2.62–2.70 Å. In the third Rh site, Rh is bonded in a 5-coordinate geometry to five Ce and five Sb atoms. There are a spread of Rh–Sb bond distances ranging from 2.57–2.66 Å. There are four inequivalent Sb sites. In the first Sb site, Sb is bonded in a 4-coordinate geometry to four Ce and four Rh atoms. In the second Sb site, Sb is bonded in a 3-coordinate geometry to five Ce and three Rh atoms. In the third Sb site, Sb is bonded in a 6-coordinate geometry to four Ce and three Rh atoms. In the fourth Sb site, Sb is bonded in a 6-coordinate geometry to five Ce and four Rh atoms.
DOI: 10.17188/1713658
title: Materials Data on Nd2Si4Ru3Rh by Materials Project

description: Nd2Ru3RhSi4 crystallizes in the tetragonal P-4m2 space group. The structure is three-dimensional. Nd3+ is bonded in a distorted body-centered cubic geometry to eight Si4- atoms. All Nd–Si bond lengths are 3.24 Å. There are two inequivalent Ru+2.33+ sites. In the first Ru+2.33+ site, Ru+2.33+ is bonded to four equivalent Si4- atoms to form a mixture of edge and corner-sharing RuSi4 tetrahedra. All Ru–Si bond lengths are 2.39 Å. In the second Ru+2.33+ site, Ru+2.33+ is bonded to four equivalent Si4- atoms to form RuSi4 tetrahedra that share corners with four equivalent RuSi4 tetrahedra and edges with four equivalent RhSi4 tetrahedra. All Ru–Si bond lengths are 2.41 Å. Rh3+ is bonded to four equivalent Si4- atoms to form RhSi4 tetrahedra that share corners with four equivalent RhSi4 tetrahedra and edges with four equivalent RuSi4 tetrahedra. All Rh–Si bond lengths are 2.41 Å. There are two inequivalent Si4- sites. In the first Si4- site, Si4- is bonded in a 9-coordinate geometry to four equivalent Nd3+, two equivalent Ru+2.33+, and two equivalent Rh3+ atoms. In the second Si4- site, Si4- is bonded in a 4-coordinate geometry to four equivalent Nd3+ and four equivalent Ru+2.33+ atoms.
DOI: 10.17188/1713659
title: Materials Data on Ba4CoN4 by Materials Project

description: Computed materials data using density functional theory calculations. These calculations determine the electronic structure of bulk materials by solving approximations to the Schrodinger equation. For more information, see https://materialsproject.org/docs/calculations
DOI: 10.17188/1713660
title: Materials Data on GaSi3PH30C10(NCl2)2 by Materials Project

description: GaCl3Si3C10PN2H30Cl crystallizes in the monoclinic P2_1 space group. The structure is zero-dimensional and consists of two 1-(methylchlorophosphino)-1,2,2-tris(trimethylsilyl)hydrazine molecules and two gallium trichloride molecules.
DOI: 10.17188/1713661
title: Materials Data on Nd3Au by Materials Project

description: Nd3Au crystallizes in the hexagonal P6_3/mmc space group. The structure is three-dimensional. Nd is bonded in a distorted see-saw-like geometry to four equivalent Au atoms. There are two shorter (3.29 Å) and two longer (3.53 Å) Nd–Au bond lengths. Au is bonded to twelve equivalent Nd atoms to form a mixture of face and corner-sharing AuNd12 cuboctahedra.
DOI: 10.17188/1713663
title: Materials Data on YbAg(WO4)2 by Materials Project

description: YbAg(WO4)2 crystallizes in the monoclinic C2/m space group. The structure is three-dimensional. Yb3+ is bonded in a 6-coordinate geometry to eight O2- atoms. There are a spread of Yb–O bond distances ranging from 2.34–2.74 Å. There are two inequivalent W6+ sites. In the first W6+ site, W6+ is bonded in a distorted octahedral geometry to six O2- atoms. There are a spread of W–O bond distances ranging from 1.81–2.14 Å. In the second W6+ site, W6+ is bonded in a 6-coordinate geometry to six O2- atoms. There are a spread of W–O bond distances ranging from 1.79–2.29 Å. Ag1+ is bonded in a 2-coordinate geometry to eight O2- atoms. There are a spread of Ag–O bond distances ranging from 2.16–2.82 Å. There are five inequivalent O2- sites. In the first O2- site, O2- is bonded in a 4-coordinate geometry to one Yb3+, two W6+, and one Ag1+ atom. In the second O2- site, O2- is bonded in a 2-coordinate geometry to one Yb3+, one W6+, and one Ag1+ atom. In the third O2- site, O2- is bonded in a 2-coordinate geometry to one Yb3+, one W6+, and one Ag1+ atom. In the fourth O2- site, O2- is bonded to three W6+ and one Ag1+ atom to form distorted edge-sharing OAgW3 tetrahedra. In the fifth O2- site, O2- is bonded in a 2-coordinate geometry to two equivalent Yb3+, one W6+, and one Ag1+ atom.
DOI: 10.17188/1713664
title: Materials Data on K3NaMnCl6 by Materials Project

description: K3NaMnCl6 crystallizes in the trigonal R-3c space group. The structure is three-dimensional. K1+ is bonded in a 8-coordinate geometry to eight equivalent Cl1- atoms. There are a spread of K–Cl bond distances ranging from 3.23–3.37 Å. Na1+ is bonded to six equivalent Cl1- atoms to form distorted NaCl6 pentagonal pyramids that share faces with two equivalent MnCl6 octahedra. All Na–Cl bond lengths are 2.86 Å. Mn2+ is bonded to six equivalent Cl1- atoms to form MnCl6 octahedra that share faces with two equivalent NaCl6 pentagonal pyramids. All Mn–Cl bond lengths are 2.56 Å. Cl1- is bonded to four equivalent K1+, one Na1+, and one Mn2+ atom to form a mixture of distorted corner, edge, and face-sharing ClK4NaMn octahedra. The corner-sharing octahedra tilt angles range from 0–64°.
DOI: 10.17188/1713665
title: Materials Data on Gd7(BrO6)3 by Materials Project

description: Gd7O18(Br)3 crystallizes in the hexagonal P6_3/m space group. The structure is three-dimensional and consists of six hydrobromic acid molecules and one Gd7O18 framework. In the Gd7O18 framework, there are three inequivalent Gd3+ sites. In the first Gd3+ site, Gd3+ is bonded in a 6-coordinate geometry to six O2- atoms. There are a spread of Gd–O bond distances ranging from 2.25–2.43 Å. In the second Gd3+ site, Gd3+ is bonded in a 9-coordinate geometry to nine O2- atoms. There are a spread of Gd–O bond distances ranging from 2.30–2.46 Å. In the third Gd3+ site, Gd3+ is bonded in a 9-coordinate geometry to nine O2- atoms. There are three shorter (2.38 Å) and six longer (2.43 Å) Gd–O bond lengths. There are six inequivalent O2- sites. In the first O2- site, O2- is bonded in a 3-coordinate geometry to three equivalent Gd3+ atoms. In the second O2- site, O2- is bonded in a 3-coordinate geometry to three Gd3+ atoms. In the third O2- site, O2- is bonded in a 3-coordinate geometry to three equivalent Gd3+ atoms. In the fourth O2- site, O2- is bonded in a distorted trigonal non-coplanar geometry to three Gd3+ atoms. In the fifth O2- site, O2- is bonded in a distorted trigonal non-coplanar geometry to three Gd3+ atoms. In the sixth O2- site, O2- is bonded in a 3-coordinate geometry to three Gd3+ atoms.
DOI: 10.17188/1713668
title: Materials Data on KCr(SO10)2 by Materials Project

description: KCrO12(SO4)2 crystallizes in the cubic Pa-3 space group. The structure is three-dimensional and consists of eight sulfuric acid molecules and one KCrO12 framework. In the KCrO12 framework, K is bonded in a 6-coordinate geometry to six equivalent O atoms. All K–O bond lengths are 3.03 Å. Cr is bonded in an octahedral geometry to six equivalent O atoms. All Cr–O bond lengths are 2.12 Å. There are two inequivalent O sites. In the first O site, O is bonded in a distorted bent 120 degrees geometry to one Cr and one O atom. The O–O bond length is 1.25 Å. In the second O site, O is bonded in a water-like geometry to one K and one O atom.
DOI: 10.17188/1713669
title: Materials Data on NdAlNi by Materials Project

description: NdNiAl crystallizes in the hexagonal P-62m space group. The structure is three-dimensional. Nd is bonded in a 11-coordinate geometry to five Ni and six equivalent Al atoms. There are four shorter (2.91 Å) and one longer (3.02 Å) Nd–Ni bond lengths. There are two shorter (3.21 Å) and four longer (3.28 Å) Nd–Al bond lengths. There are two inequivalent Ni sites. In the first Ni site, Ni is bonded in a 9-coordinate geometry to three equivalent Nd and six equivalent Al atoms. All Ni–Al bond lengths are 2.55 Å. In the second Ni site, Ni is bonded in a 9-coordinate geometry to six equivalent Nd and three equivalent Al atoms. All Ni–Al bond lengths are 2.86 Å. Al is bonded in a 12-coordinate geometry to six equivalent Nd, four Ni, and two equivalent Al atoms. Both Al–Al bond lengths are 2.79 Å.
DOI: 10.17188/1713670
title: Materials Data on YMn2AsO4 by Materials Project

description: YMn2AsO4 crystallizes in the orthorhombic Pban space group. The structure is three-dimensional. Y3+ is bonded in a square co-planar geometry to four O2- atoms. There are two shorter (2.18 Å) and two longer (2.28 Å) Y–O bond lengths. Mn3+ is bonded to four O2- atoms to form distorted edge-sharing MnO4 trigonal pyramids. There are a spread of Mn–O bond distances ranging from 1.97–2.36 Å. As1- is bonded in a linear geometry to two equivalent O2- atoms. Both As–O bond lengths are 2.11 Å. There are two inequivalent O2- sites. In the first O2- site, O2- is bonded in a 4-coordinate geometry to one Y3+ and three equivalent Mn3+ atoms. In the second O2- site, O2- is bonded in a trigonal non-coplanar geometry to one Y3+, one Mn3+, and one As1- atom.
DOI: 10.17188/1713671
title: Materials Data on Y2Co3Si5 by Materials Project

description: Y2Co3Si5 crystallizes in the monoclinic C2/c space group. The structure is three-dimensional. Y3+ is bonded in a 10-coordinate geometry to ten Si+2.40- atoms. There are a spread of Y–Si bond distances ranging from 2.86–3.16 Å. There are two inequivalent Co2+ sites. In the first Co2+ site, Co2+ is bonded in a 5-coordinate geometry to five Si+2.40- atoms. There are a spread of Co–Si bond distances ranging from 2.27–2.37 Å. In the second Co2+ site, Co2+ is bonded in a distorted hexagonal planar geometry to six Si+2.40- atoms. There are a spread of Co–Si bond distances ranging from 2.34–2.65 Å. There are four inequivalent Si+2.40- sites. In the first Si+2.40- site, Si+2.40- is bonded in a 9-coordinate geometry to four equivalent Y3+, three Co2+, and two Si+2.40- atoms. There are one shorter (2.49 Å) and one longer (2.51 Å) Si–Si bond lengths. In the second Si+2.40- site, Si+2.40- is bonded in a 11-coordinate geometry to four equivalent Y3+, three Co2+, and four Si+2.40- atoms. Both Si–Si bond lengths are 2.76 Å. In the third Si+2.40- site, Si+2.40- is bonded in a 6-coordinate geometry to four equivalent Y3+ and four equivalent Co2+ atoms. In the fourth Si+2.40- site, Si+2.40- is bonded in a 11-coordinate geometry to four equivalent Y3+, three Co2+, and four Si+2.40- atoms.
DOI: 10.17188/1713672
title: Materials Data on Tb6CoCl10 by Materials Project

description: Tb6CoCl10 crystallizes in the triclinic P-1 space group. The structure is three-dimensional. there are three inequivalent Tb sites. In the first Tb site, Tb is bonded to one Co and five Cl atoms to form a mixture of edge and corner-sharing TbCoCl5 octahedra. The corner-sharing octahedra tilt angles range from 0–6°. The Tb–Co bond length is 2.65 Å. There are a spread of Tb–Cl bond distances ranging from 2.65–2.92 Å. In the second Tb site, Tb is bonded to one Co and five Cl atoms to form a mixture of edge and corner-sharing TbCoCl5 octahedra. The corner-sharing octahedra tilt angles range from 0–5°. The Tb–Co bond length is 2.57 Å. There are a spread of Tb–Cl bond distances ranging from 2.69–2.93 Å. In the third Tb site, Tb is bonded to one Co and five Cl atoms to form a mixture of edge and corner-sharing TbCoCl5 octahedra. The corner-sharing octahedra tilt angles range from 0–6°. The Tb–Co bond length is 2.58 Å. There are a spread of Tb–Cl bond distances ranging from 2.77–2.91 Å. Co is bonded in an octahedral geometry to six Tb atoms. There are five inequivalent Cl sites. In the first Cl site, Cl is bonded in a T-shaped geometry to three Tb atoms. In the second Cl site, Cl is bonded in a see-saw-like geometry to four Tb atoms. In the third Cl site, Cl is bonded in a distorted trigonal non-coplanar geometry to three Tb atoms. In the fourth Cl site, Cl is bonded in a T-shaped geometry to three Tb atoms. In the fifth Cl site, Cl is bonded in an L-shaped geometry to two Tb atoms.
DOI: 10.17188/1713673
title: Materials Data on Eu3S by Materials Project

description: Eu3S crystallizes in the hexagonal P6_3/mmc space group. The structure is one-dimensional and consists of two Eu3S ribbons oriented in the (0, 0, 1) direction. Eu is bonded in a distorted L-shaped geometry to two equivalent S atoms. Both Eu–S bond lengths are 2.95 Å. S is bonded to six equivalent Eu atoms to form distorted face-sharing SEu6 pentagonal pyramids.
DOI: 10.17188/1713675
title: Materials Data on Zr2SiTe2 by Materials Project

description: Zr2SiTe2 crystallizes in the tetragonal P4/mmm space group. The structure is zero-dimensional and consists of one Zr2SiTe2 cluster. Zr4+ is bonded in a linear geometry to one Si4- and one Te2- atom. The Zr–Si bond length is 2.66 Å. The Zr–Te bond length is 2.95 Å. Si4- is bonded in a linear geometry to two equivalent Zr4+ atoms. Te2- is bonded in a distorted single-bond geometry to one Zr4+ atom.
DOI: 10.17188/1713676
title: Materials Data on Sm23Cd4Ir7 by Materials Project

description: Sm23Ir7Cd4 crystallizes in the hexagonal P6_3mc space group. The structure is three-dimensional. there are nine inequivalent Sm sites. In the first Sm site, Sm is bonded in a distorted bent 150 degrees geometry to two equivalent Ir and two Cd atoms. Both Sm–Ir bond lengths are 2.86 Å. Both Sm–Cd bond lengths are 3.62 Å. In the second Sm site, Sm is bonded in a distorted T-shaped geometry to three Ir atoms. There are two shorter (2.92 Å) and one longer (2.95 Å) Sm–Ir bond lengths. In the third Sm site, Sm is bonded in a distorted bent 150 degrees geometry to two Ir and two equivalent Cd atoms. There are one shorter (2.82 Å) and one longer (2.86 Å) Sm–Ir bond lengths. Both Sm–Cd bond lengths are 3.60 Å. In the fourth Sm site, Sm is bonded in a 3-coordinate geometry to three Ir and three Cd atoms. There are one shorter (2.88 Å) and two longer (2.89 Å) Sm–Ir bond lengths. There are two shorter (3.52 Å) and one longer (3.56 Å) Sm–Cd bond lengths. In the fifth Sm site, Sm is bonded in a 1-coordinate geometry to two equivalent Ir and one Cd atom. Both Sm–Ir bond lengths are 3.58 Å. The Sm–Cd bond length is 3.32 Å. In the sixth Sm site, Sm is bonded in a 3-coordinate geometry to three equivalent Ir atoms. All Sm–Ir bond lengths are 2.89 Å. In the seventh Sm site, Sm is bonded in a 2-coordinate geometry to four Ir and one Cd atom. There are two shorter (2.85 Å) and two longer (3.55 Å) Sm–Ir bond lengths. The Sm–Cd bond length is 3.36 Å. In the eighth Sm site, Sm is bonded in a 4-coordinate geometry to two Ir and two equivalent Cd atoms. There are one shorter (3.43 Å) and one longer (3.57 Å) Sm–Ir bond lengths. Both Sm–Cd bond lengths are 3.38 Å. In the ninth Sm site, Sm is bonded in a 3-coordinate geometry to three equivalent Ir and three equivalent Cd atoms. All Sm–Ir bond lengths are 2.87 Å. All Sm–Cd bond lengths are 3.52 Å. There are three inequivalent Ir sites. In the first Ir site, Ir is bonded in a 6-coordinate geometry to nine Sm atoms. In the second Ir site, Ir is bonded in a 6-coordinate geometry to eight Sm atoms. In the third Ir site, Ir is bonded in a 6-coordinate geometry to nine Sm atoms. There are two inequivalent Cd sites. In the first Cd site, Cd is bonded to nine Sm and three equivalent Cd atoms to form face-sharing CdSm9Cd3 cuboctahedra. All Cd–Cd bond lengths are 3.13 Å. In the second Cd site, Cd is bonded to nine Sm and three Cd atoms to form a mixture of distorted face and corner-sharing CdSm9Cd3 cuboctahedra. Both Cd–Cd bond lengths are 3.19 Å.
DOI: 10.17188/1713677
title: Materials Data on KRb2ScCl6 by Materials Project

description: Computed materials data using density functional theory calculations. These calculations determine the electronic structure of bulk materials by solving approximations to the Schrodinger equation. For more information, see https://materialsproject.org/docs/calculations
DOI: 10.17188/1713678
title: Materials Data on Na5Te2AuO28 by Materials Project

description: Na5AuTe2O28 crystallizes in the triclinic P-1 space group. The structure is three-dimensional. there are three inequivalent Na sites. In the first Na site, Na is bonded in a 5-coordinate geometry to six O atoms. There are a spread of Na–O bond distances ranging from 2.29–2.73 Å. In the second Na site, Na is bonded in a 8-coordinate geometry to eight O atoms. There are a spread of Na–O bond distances ranging from 2.37–2.88 Å. In the third Na site, Na is bonded in a 6-coordinate geometry to six O atoms. There are a spread of Na–O bond distances ranging from 2.39–2.69 Å. Au is bonded in a square co-planar geometry to four O atoms. There are two shorter (2.12 Å) and two longer (2.19 Å) Au–O bond lengths. Te is bonded in an octahedral geometry to six O atoms. There are a spread of Te–O bond distances ranging from 2.09–2.44 Å. There are fourteen inequivalent O sites. In the first O site, O is bonded to one Na, one Au, one Te, and one O atom to form distorted corner-sharing ONaTeAuO tetrahedra. The O–O bond length is 1.39 Å. In the second O site, O is bonded in a distorted trigonal non-coplanar geometry to two Na and one O atom. The O–O bond length is 1.36 Å. In the third O site, O is bonded in a distorted bent 120 degrees geometry to one Te and one O atom. The O–O bond length is 1.37 Å. In the fourth O site, O is bonded in a distorted trigonal non-coplanar geometry to two Na and one O atom. In the fifth O site, O is bonded in a bent 120 degrees geometry to one Te and one O atom. The O–O bond length is 1.46 Å. In the sixth O site, O is bonded in a 3-coordinate geometry to one Na, one Au, one Te, and one O atom. The O–O bond length is 1.36 Å. In the seventh O site, O is bonded in a 3-coordinate geometry to two Na and one O atom. The O–O bond length is 1.27 Å. In the eighth O site, O is bonded in a 3-coordinate geometry to one Na, one Te, and one O atom. In the ninth O site, O is bonded in an L-shaped geometry to one Na and one O atom. In the tenth O site, O is bonded in a distorted bent 120 degrees geometry to one Na and one O atom. The O–O bond length is 1.24 Å. In the eleventh O site, O is bonded in a 4-coordinate geometry to three equivalent Na and one O atom. In the twelfth O site, O is bonded in a single-bond geometry to one O atom. In the thirteenth O site, O is bonded in a distorted bent 120 degrees geometry to one Na, one Te, and one O atom. In the fourteenth O site, O is bonded in a distorted T-shaped geometry to two Na and one O atom.
DOI: 10.17188/1713679
title: Materials Data on Li3Mn2(FeO4)2 by Materials Project

description: Computed materials data using density functional theory calculations. These calculations determine the electronic structure of bulk materials by solving approximations to the Schrodinger equation. For more information, see https://materialsproject.org/docs/calculations
DOI: 10.17188/1713680
title: Materials Data on Li2FePCO7 by Materials Project

description: Computed materials data using density functional theory calculations. These calculations determine the electronic structure of bulk materials by solving approximations to the Schrodinger equation. For more information, see https://materialsproject.org/docs/calculations
DOI: 10.17188/1713682
title: Materials Data on Pm3Gd by Materials Project

description: GdPm3 is Uranium Silicide structured and crystallizes in the cubic Pm-3m space group. The structure is three-dimensional. Gd is bonded to twelve equivalent Pm atoms to form GdPm12 cuboctahedra that share corners with twelve equivalent GdPm12 cuboctahedra, edges with twenty-four equivalent PmPm8Gd4 cuboctahedra, faces with six equivalent GdPm12 cuboctahedra, and faces with twelve equivalent PmPm8Gd4 cuboctahedra. All Gd–Pm bond lengths are 3.64 Å. Pm is bonded to four equivalent Gd and eight equivalent Pm atoms to form PmPm8Gd4 cuboctahedra that share corners with twelve equivalent PmPm8Gd4 cuboctahedra, edges with eight equivalent GdPm12 cuboctahedra, edges with sixteen equivalent PmPm8Gd4 cuboctahedra, faces with four equivalent GdPm12 cuboctahedra, and faces with fourteen equivalent PmPm8Gd4 cuboctahedra. All Pm–Pm bond lengths are 3.64 Å.
DOI: 10.17188/1713683
title: Materials Data on AlGaNi2 by Materials Project

description: Ni2GaAl crystallizes in the orthorhombic Immm space group. The structure is one-dimensional and consists of two Ni2GaAl ribbons oriented in the (0, 1, 0) direction. Ni is bonded in a linear geometry to one Ga and one Al atom. The Ni–Ga bond length is 2.36 Å. The Ni–Al bond length is 2.35 Å. Ga is bonded in a linear geometry to two equivalent Ni atoms. Al is bonded in a linear geometry to two equivalent Ni atoms.
DOI: 10.17188/1713685
title: Materials Data on Rb2SnHgTe4 by Materials Project

description: Rb2HgSnTe4 is Hazelwoodite-derived structured and crystallizes in the tetragonal I-42m space group. The structure is three-dimensional. Rb1+ is bonded in a 10-coordinate geometry to eight equivalent Te2- atoms. There are four shorter (3.83 Å) and four longer (3.93 Å) Rb–Te bond lengths. Hg2+ is bonded to four equivalent Te2- atoms to form distorted HgTe4 tetrahedra that share edges with two equivalent SnTe4 tetrahedra. All Hg–Te bond lengths are 2.94 Å. Sn4+ is bonded to four equivalent Te2- atoms to form SnTe4 tetrahedra that share edges with two equivalent HgTe4 tetrahedra. All Sn–Te bond lengths are 2.81 Å. Te2- is bonded in a 6-coordinate geometry to four equivalent Rb1+, one Hg2+, and one Sn4+ atom.