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DOE OSTI2020

Materials Data on Hf5Te4 by Materials Project

Hf5Te4 is Titanium telluride structured and crystallizes in the tetragonal I4/m space group. The structure is three-dimensional. there are two inequivalent Hf sites. In the first Hf site, Hf is bonded in a 5-coordinate geometry to five equivalent Te atoms. There are four shorter (2.92 Å) and one longer (2.93 Å) Hf–Te bond lengths. In the second Hf site, Hf is bonded in a distorted square co-planar geometry to four equivalent Te atoms. All Hf–Te bond lengths are 3.13 Å. Te is bonded in a 6-coordinate geometry to six Hf atoms.

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Materials Data on TlTe by Materials Project

TlTe crystallizes in the tetragonal I4/mcm space group. The structure is three-dimensional. Tl1+ is bonded in a 6-coordinate geometry to eight Te1- atoms. There are a spread of Tl–Te bond distances ranging from 3.46–4.11 Å. There are three inequivalent Te1- sites. In the first Te1- site, Te1- is bonded in a 10-coordinate geometry to eight equivalent Tl1+ and two equivalent Te1- atoms. Both Te–Te bond lengths are 3.11 Å. In the second Te1- site, Te1- is bonded in a 2-coordinate geometry to eight equivalent Tl1+ and six Te1- atoms. There are two shorter (3.11 Å) and four longer (3.40 Å) Te–Te bond lengths. In the third Te1- site, Te1- is bonded in a 10-coordinate geometry to eight equivalent Tl1+ and two equivalent Te1- atoms.

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Materials Data on Gd2SiTeO4 by Materials Project

Gd2SiTeO4 crystallizes in the orthorhombic Pbcm space group. The structure is three-dimensional. there are two inequivalent Gd3+ sites. In the first Gd3+ site, Gd3+ is bonded in a 6-coordinate geometry to four equivalent Te2- and six O2- atoms. There are two shorter (3.27 Å) and two longer (3.71 Å) Gd–Te bond lengths. There are a spread of Gd–O bond distances ranging from 2.43–2.49 Å. In the second Gd3+ site, Gd3+ is bonded in a 6-coordinate geometry to three equivalent Te2- and six O2- atoms. There are a spread of Gd–Te bond distances ranging from 3.13–3.36 Å. There are a spread of Gd–O bond distances ranging from 2.44–2.64 Å. Si4+ is bonded in a tetrahedral geometry to four O2- atoms. There is two shorter (1.65 Å) and two longer (1.67 Å) Si–O bond length. Te2- is bonded in a 1-coordinate geometry to seven Gd3+, two equivalent Te2-, and twelve O2- atoms. Both Te–Te bond lengths are 3.74 Å. There are a spread of Te–O bond distances ranging from 3.29–3.83 Å. There are two inequivalent O2- sites. In the first O2- site, O2- is bonded in a 1-coordinate geometry to three Gd3+, one Si4+, and three equivalent Te2- atoms. In the second O2- site, O2- is bonded in a 1-coordinate geometry to three Gd3+, one Si4+, and three equivalent Te2- atoms.

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Materials Data on TlTe by Materials Project

TlTe crystallizes in the tetragonal I4/mcm space group. The structure is three-dimensional. Tl1+ is bonded in a 7-coordinate geometry to three equivalent Tl1+ and seven Te1- atoms. There are one shorter (3.58 Å) and two longer (3.79 Å) Tl–Tl bond lengths. There are a spread of Tl–Te bond distances ranging from 3.49–3.72 Å. There are three inequivalent Te1- sites. In the first Te1- site, Te1- is bonded in a 10-coordinate geometry to eight equivalent Tl1+ and two equivalent Te1- atoms. Both Te–Te bond lengths are 3.16 Å. In the second Te1- site, Te1- is bonded to four equivalent Tl1+ and four Te1- atoms to form corner-sharing TeTl4Te4 hexagonal bipyramids. There are two shorter (3.02 Å) and two longer (3.16 Å) Te–Te bond lengths. In the third Te1- site, Te1- is bonded in a 9-coordinate geometry to eight equivalent Tl1+ and one Te1- atom.

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Materials Data on MnTePd by Materials Project

PdMnTe is half-Heusler structured and crystallizes in the cubic F-43m space group. The structure is three-dimensional. Mn is bonded to four equivalent Pd and six equivalent Te atoms to form a mixture of distorted corner and face-sharing MnTe6Pd4 tetrahedra. All Mn–Pd bond lengths are 2.75 Å. All Mn–Te bond lengths are 3.17 Å. Pd is bonded in a body-centered cubic geometry to four equivalent Mn and four equivalent Te atoms. All Pd–Te bond lengths are 2.75 Å. Te is bonded in a 10-coordinate geometry to six equivalent Mn and four equivalent Pd atoms.

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Materials Data on K3GeTe3 by Materials Project

K3GeTe3 crystallizes in the monoclinic C2/c space group. The structure is three-dimensional. there are four inequivalent K1+ sites. In the first K1+ site, K1+ is bonded to six Te2- atoms to form a mixture of distorted edge, face, and corner-sharing KTe6 octahedra. The corner-sharing octahedral tilt angles are 38°. There are a spread of K–Te bond distances ranging from 3.53–3.93 Å. In the second K1+ site, K1+ is bonded in a 6-coordinate geometry to six Te2- atoms. There are a spread of K–Te bond distances ranging from 3.59–3.79 Å. In the third K1+ site, K1+ is bonded to six Te2- atoms to form a mixture of distorted edge, face, and corner-sharing KTe6 pentagonal pyramids. The corner-sharing octahedra tilt angles range from 28–59°. There are a spread of K–Te bond distances ranging from 3.46–3.79 Å. In the fourth K1+ site, K1+ is bonded in a 6-coordinate geometry to six Te2- atoms. There are a spread of K–Te bond distances ranging from 3.53–3.69 Å. Ge3+ is bonded in a trigonal non-coplanar geometry to three Te2- atoms. There are one shorter (2.61 Å) and two longer (2.63 Å) Ge–Te bond lengths. There are three inequivalent Te2- sites. In the first Te2- site, Te2- is bonded in a 7-coordinate geometry to six K1+ and one Ge3+ atom. In the second Te2- site, Te2- is bonded to six K1+ and one Ge3+ atom to form a mixture of distorted edge, face, and corner-sharing TeK6Ge pentagonal bipyramids. In the third Te2- site, Te2- is bonded to six K1+ and one Ge3+ atom to form a mixture of distorted edge, face, and corner-sharing TeK6Ge pentagonal bipyramids.

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Materials Data on Na4SnTe4 by Materials Project

Na4SnTe4 crystallizes in the orthorhombic P2_12_12_1 space group. The structure is three-dimensional. there are four inequivalent Na1+ sites. In the first Na1+ site, Na1+ is bonded in a 6-coordinate geometry to six Te2- atoms. There are a spread of Na–Te bond distances ranging from 3.23–3.80 Å. In the second Na1+ site, Na1+ is bonded to five Te2- atoms to form distorted NaTe5 square pyramids that share corners with five NaTe6 octahedra, corners with four equivalent NaTe5 square pyramids, corners with three equivalent SnTe4 tetrahedra, an edgeedge with one NaTe6 octahedra, an edgeedge with one SnTe4 tetrahedra, and faces with two NaTe6 octahedra. The corner-sharing octahedra tilt angles range from 44–66°. There are a spread of Na–Te bond distances ranging from 3.12–3.69 Å. In the third Na1+ site, Na1+ is bonded to six Te2- atoms to form distorted NaTe6 octahedra that share corners with four equivalent NaTe6 octahedra, corners with three equivalent NaTe5 square pyramids, corners with four equivalent SnTe4 tetrahedra, edges with three equivalent NaTe6 octahedra, an edgeedge with one SnTe4 tetrahedra, a faceface with one NaTe6 octahedra, and a faceface with one NaTe5 square pyramid. The corner-sharing octahedra tilt angles range from 13–34°. There are a spread of Na–Te bond distances ranging from 3.19–3.75 Å. In the fourth Na1+ site, Na1+ is bonded to six Te2- atoms to form distorted NaTe6 octahedra that share corners with four equivalent NaTe6 octahedra, corners with two equivalent NaTe5 square pyramids, corners with four equivalent SnTe4 tetrahedra, edges with three equivalent NaTe6 octahedra, an edgeedge with one NaTe5 square pyramid, an edgeedge with one SnTe4 tetrahedra, a faceface with one NaTe6 octahedra, and a faceface with one NaTe5 square pyramid. The corner-sharing octahedra tilt angles range from 29–32°. There are a spread of Na–Te bond distances ranging from 3.17–3.80 Å. Sn4+ is bonded to four Te2- atoms to form SnTe4 tetrahedra that share corners with eight NaTe6 octahedra, corners with three equivalent NaTe5 square pyramids, edges with two NaTe6 octahedra, and an edgeedge with one NaTe5 square pyramid. The corner-sharing octahedra tilt angles range from 17–80°. There are two shorter (2.79 Å) and two longer (2.80 Å) Sn–Te bond lengths. There are four inequivalent Te2- sites. In the first Te2- site, Te2- is bonded to five Na1+ and one Sn4+ atom to form distorted edge-sharing TeNa5Sn pentagonal pyramids. In the second Te2- site, Te2- is bonded in a 7-coordinate geometry to six Na1+ and one Sn4+ atom. In the third Te2- site, Te2- is bonded in a 7-coordinate geometry to six Na1+ and one Sn4+ atom. In the fourth Te2- site, Te2- is bonded in a 7-coordinate geometry to six Na1+ and one Sn4+ atom.

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Materials Data on NaTe by Materials Project

NaTe crystallizes in the orthorhombic Pbcn space group. The structure is three-dimensional. there are three inequivalent Na1+ sites. In the first Na1+ site, Na1+ is bonded in a 6-coordinate geometry to six Te1- atoms. There are a spread of Na–Te bond distances ranging from 3.08–3.59 Å. In the second Na1+ site, Na1+ is bonded in a 7-coordinate geometry to seven Te1- atoms. There are a spread of Na–Te bond distances ranging from 3.16–3.74 Å. In the third Na1+ site, Na1+ is bonded to six Te1- atoms to form a mixture of distorted face and corner-sharing NaTe6 octahedra. The corner-sharing octahedra tilt angles range from 0–65°. There are a spread of Na–Te bond distances ranging from 3.16–3.44 Å. There are four inequivalent Te1- sites. In the first Te1- site, Te1- is bonded in a 9-coordinate geometry to seven Na1+ and two equivalent Te1- atoms. There are one shorter (2.89 Å) and one longer (3.49 Å) Te–Te bond lengths. In the second Te1- site, Te1- is bonded in a 6-coordinate geometry to six Na1+ atoms. In the third Te1- site, Te1- is bonded in a 4-coordinate geometry to five Na1+ and two equivalent Te1- atoms. In the fourth Te1- site, Te1- is bonded in a 8-coordinate geometry to eight Na1+ atoms.

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Materials Data on Hf3Te2 by Materials Project

Hf3Te2 crystallizes in the tetragonal I4/mmm space group. The structure is two-dimensional and consists of two Hf3Te2 sheets oriented in the (0, 0, 1) direction. there are two inequivalent Hf sites. In the first Hf site, Hf is bonded in a 4-coordinate geometry to four equivalent Te atoms. All Hf–Te bond lengths are 2.95 Å. In the second Hf site, Hf is bonded in a distorted linear geometry to two equivalent Te atoms. Both Hf–Te bond lengths are 3.04 Å. Te is bonded in a 5-coordinate geometry to five Hf atoms.

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Materials Data on BiTePd by Materials Project

PdBiTe is Spinel-like structured and crystallizes in the cubic P2_13 space group. The structure is three-dimensional. Pd is bonded to three equivalent Bi and three equivalent Te atoms to form PdBi3Te3 octahedra that share corners with twelve equivalent PdBi3Te3 octahedra, corners with three equivalent BiTePd3 trigonal pyramids, and corners with three equivalent TeBiPd3 trigonal pyramids. The corner-sharing octahedra tilt angles range from 62–63°. All Pd–Bi bond lengths are 2.82 Å. All Pd–Te bond lengths are 2.77 Å. Bi is bonded to three equivalent Pd and one Te atom to form BiTePd3 trigonal pyramids that share corners with three equivalent PdBi3Te3 octahedra, corners with six equivalent BiTePd3 trigonal pyramids, and corners with nine equivalent TeBiPd3 trigonal pyramids. The corner-sharing octahedral tilt angles are 81°. The Bi–Te bond length is 3.03 Å. Te is bonded to three equivalent Pd and one Bi atom to form TeBiPd3 trigonal pyramids that share corners with three equivalent PdBi3Te3 octahedra, corners with six equivalent TeBiPd3 trigonal pyramids, and corners with nine equivalent BiTePd3 trigonal pyramids. The corner-sharing octahedral tilt angles are 81°.

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Materials Data on Tl2GeTe3 by Materials Project

Tl2GeTe3 crystallizes in the orthorhombic Pnma space group. The structure is three-dimensional. there are two inequivalent Tl1+ sites. In the first Tl1+ site, Tl1+ is bonded in a 4-coordinate geometry to one Tl1+ and seven Te2- atoms. The Tl–Tl bond length is 3.62 Å. There are a spread of Tl–Te bond distances ranging from 3.27–4.29 Å. In the second Tl1+ site, Tl1+ is bonded in a 10-coordinate geometry to two Tl1+ and eight Te2- atoms. The Tl–Tl bond length is 3.60 Å. There are a spread of Tl–Te bond distances ranging from 3.43–3.84 Å. Ge4+ is bonded to four Te2- atoms to form edge-sharing GeTe4 tetrahedra. There are a spread of Ge–Te bond distances ranging from 2.63–2.70 Å. There are four inequivalent Te2- sites. In the first Te2- site, Te2- is bonded in a 7-coordinate geometry to five Tl1+, one Ge4+, and one Te2- atom. The Te–Te bond length is 3.49 Å. In the second Te2- site, Te2- is bonded in a 2-coordinate geometry to four equivalent Tl1+, two equivalent Ge4+, and two equivalent Te2- atoms. In the third Te2- site, Te2- is bonded in a 6-coordinate geometry to four equivalent Tl1+ and two equivalent Ge4+ atoms. In the fourth Te2- site, Te2- is bonded in a 6-coordinate geometry to six Tl1+ and one Ge4+ atom.

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Materials Data on Nb5Te4 by Materials Project

Nb5Te4 is Titanium telluride structured and crystallizes in the tetragonal I4/m space group. The structure is three-dimensional. there are two inequivalent Nb sites. In the first Nb site, Nb is bonded to eight equivalent Nb and four equivalent Te atoms to form distorted face-sharing NbNb8Te4 cuboctahedra. All Nb–Nb bond lengths are 2.98 Å. All Nb–Te bond lengths are 3.04 Å. In the second Nb site, Nb is bonded in a 5-coordinate geometry to two equivalent Nb and five equivalent Te atoms. There are a spread of Nb–Te bond distances ranging from 2.80–2.86 Å. Te is bonded in a 6-coordinate geometry to six Nb atoms.

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Materials Data on Sc6Te2Rh by Materials Project

Sc6RhTe2 crystallizes in the hexagonal P-62m space group. The structure is three-dimensional. there are two inequivalent Sc sites. In the first Sc site, Sc is bonded in a 4-coordinate geometry to two equivalent Rh and two equivalent Te atoms. Both Sc–Rh bond lengths are 2.68 Å. Both Sc–Te bond lengths are 3.02 Å. In the second Sc site, Sc is bonded in a 5-coordinate geometry to one Rh and four equivalent Te atoms. The Sc–Rh bond length is 3.06 Å. All Sc–Te bond lengths are 3.06 Å. Rh is bonded in a 9-coordinate geometry to nine Sc atoms. Te is bonded in a 9-coordinate geometry to nine Sc atoms.

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Materials Data on Zr5Te4 by Materials Project

Zr5Te4 is Titanium telluride structured and crystallizes in the tetragonal I4/m space group. The structure is three-dimensional. there are two inequivalent Zr sites. In the first Zr site, Zr is bonded in a distorted square co-planar geometry to four equivalent Te atoms. All Zr–Te bond lengths are 3.11 Å. In the second Zr site, Zr is bonded to five equivalent Te atoms to form a mixture of distorted edge and corner-sharing ZrTe5 trigonal bipyramids. There are two shorter (2.94 Å) and three longer (2.95 Å) Zr–Te bond lengths. Te is bonded in a distorted hexagonal planar geometry to six Zr atoms.

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Materials Data on Pr2UTe4 by Materials Project

UPr2Te4 crystallizes in the tetragonal I-42d space group. The structure is three-dimensional. U is bonded to eight equivalent Te atoms to form distorted UTe8 hexagonal bipyramids that share corners with eight equivalent PrTe8 hexagonal bipyramids, edges with four equivalent UTe8 hexagonal bipyramids, and faces with eight equivalent PrTe8 hexagonal bipyramids. There are four shorter (3.20 Å) and four longer (3.34 Å) U–Te bond lengths. Pr is bonded to eight equivalent Te atoms to form distorted PrTe8 hexagonal bipyramids that share corners with four equivalent UTe8 hexagonal bipyramids, corners with four equivalent PrTe8 hexagonal bipyramids, edges with four equivalent PrTe8 hexagonal bipyramids, faces with four equivalent UTe8 hexagonal bipyramids, and faces with four equivalent PrTe8 hexagonal bipyramids. There are a spread of Pr–Te bond distances ranging from 3.23–3.39 Å. Te is bonded to two equivalent U and four equivalent Pr atoms to form a mixture of distorted edge, face, and corner-sharing TePr4U2 octahedra. The corner-sharing octahedra tilt angles range from 15–51°.

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Materials Data on CoGeTe by Materials Project

CoGeTe crystallizes in the orthorhombic Pbca space group. The structure is three-dimensional. Co is bonded to three equivalent Ge and three equivalent Te atoms to form a mixture of distorted edge and corner-sharing CoGe3Te3 octahedra. The corner-sharing octahedra tilt angles range from 43–64°. There are two shorter (2.37 Å) and one longer (2.38 Å) Co–Ge bond lengths. There are a spread of Co–Te bond distances ranging from 2.58–2.61 Å. Ge is bonded in a 4-coordinate geometry to three equivalent Co and one Te atom. The Ge–Te bond length is 2.79 Å. Te is bonded in a 4-coordinate geometry to three equivalent Co and one Ge atom.

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Materials Data on Ge3(BiTe3)2 by Materials Project

Ge3Bi2Te6 is MAX Phase-like structured and crystallizes in the trigonal R3m space group. The structure is two-dimensional and consists of three Ge3Bi2Te6 sheets oriented in the (0, 0, 1) direction. there are three inequivalent Ge2+ sites. In the first Ge2+ site, Ge2+ is bonded to six Te2- atoms to form a mixture of distorted edge and corner-sharing GeTe6 octahedra. The corner-sharing octahedral tilt angles are 15°. There are three shorter (2.85 Å) and three longer (3.44 Å) Ge–Te bond lengths. In the second Ge2+ site, Ge2+ is bonded to six Te2- atoms to form GeTe6 octahedra that share corners with three equivalent BiTe6 octahedra, edges with three equivalent BiTe6 octahedra, and edges with six equivalent GeTe6 octahedra. The corner-sharing octahedral tilt angles are 6°. There are three shorter (2.84 Å) and three longer (3.32 Å) Ge–Te bond lengths. In the third Ge2+ site, Ge2+ is bonded to six Te2- atoms to form distorted GeTe6 octahedra that share corners with three equivalent GeTe6 octahedra, corners with three equivalent BiTe6 octahedra, edges with three equivalent BiTe6 octahedra, and edges with nine GeTe6 octahedra. The corner-sharing octahedra tilt angles range from 6–15°. There are three shorter (2.85 Å) and three longer (3.33 Å) Ge–Te bond lengths. There are two inequivalent Bi3+ sites. In the first Bi3+ site, Bi3+ is bonded to six Te2- atoms to form BiTe6 octahedra that share corners with three equivalent GeTe6 octahedra, corners with three equivalent BiTe6 octahedra, edges with three equivalent GeTe6 octahedra, and edges with nine BiTe6 octahedra. The corner-sharing octahedra tilt angles range from 1–6°. There are three shorter (3.07 Å) and three longer (3.25 Å) Bi–Te bond lengths. In the second Bi3+ site, Bi3+ is bonded to six Te2- atoms to form BiTe6 octahedra that share corners with three equivalent GeTe6 octahedra, corners with three equivalent BiTe6 octahedra, edges with three equivalent GeTe6 octahedra, and edges with nine BiTe6 octahedra. The corner-sharing octahedra tilt angles range from 1–6°. There are three shorter (3.06 Å) and three longer (3.28 Å) Bi–Te bond lengths. There are six inequivalent Te2- sites. In the first Te2- site, Te2- is bonded to six Ge2+ atoms to form a mixture of distorted edge and corner-sharing TeGe6 octahedra. The corner-sharing octahedral tilt angles are 13°. In the second Te2- site, Te2- is bonded in a 3-coordinate geometry to three equivalent Ge2+ atoms. In the third Te2- site, Te2- is bonded to three equivalent Ge2+ and three equivalent Bi3+ atoms to form TeGe3Bi3 octahedra that share corners with six TeBi6 octahedra and edges with twelve TeGe3Bi3 octahedra. The corner-sharing octahedra tilt angles range from 4–13°. In the fourth Te2- site, Te2- is bonded to six Bi3+ atoms to form a mixture of edge and corner-sharing TeBi6 octahedra. The corner-sharing octahedra tilt angles range from 4–5°. In the fifth Te2- site, Te2- is bonded in a 3-coordinate geometry to three equivalent Ge2+ atoms. In the sixth Te2- site, Te2- is bonded to three equivalent Ge2+ and three equivalent Bi3+ atoms to form a mixture of edge and corner-sharing TeGe3Bi3 octahedra. The corner-sharing octahedral tilt angles are 5°.

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Materials Data on Y2Te5O13 by Materials Project

Y2Te5O13 crystallizes in the triclinic P-1 space group. The structure is two-dimensional and consists of one Y2Te5O13 sheet oriented in the (0, 0, 1) direction. there are two inequivalent Y3+ sites. In the first Y3+ site, Y3+ is bonded in a distorted pentagonal bipyramidal geometry to seven O2- atoms. There are a spread of Y–O bond distances ranging from 2.23–2.80 Å. In the second Y3+ site, Y3+ is bonded in a 8-coordinate geometry to eight O2- atoms. There are a spread of Y–O bond distances ranging from 2.32–2.63 Å. There are five inequivalent Te4+ sites. In the first Te4+ site, Te4+ is bonded in a 3-coordinate geometry to three O2- atoms. There is two shorter (1.90 Å) and one longer (1.94 Å) Te–O bond length. In the second Te4+ site, Te4+ is bonded in a 4-coordinate geometry to four O2- atoms. There are a spread of Te–O bond distances ranging from 1.91–2.47 Å. In the third Te4+ site, Te4+ is bonded in a 4-coordinate geometry to four O2- atoms. There are a spread of Te–O bond distances ranging from 1.88–2.55 Å. In the fourth Te4+ site, Te4+ is bonded in a rectangular see-saw-like geometry to four O2- atoms. There are a spread of Te–O bond distances ranging from 1.89–2.16 Å. In the fifth Te4+ site, Te4+ is bonded in a 5-coordinate geometry to four O2- atoms. There are a spread of Te–O bond distances ranging from 1.90–2.75 Å. There are thirteen inequivalent O2- sites. In the first O2- site, O2- is bonded in a linear geometry to one Y3+ and one Te4+ atom. In the second O2- site, O2- is bonded in a 2-coordinate geometry to one Y3+ and two Te4+ atoms. In the third O2- site, O2- is bonded in a bent 120 degrees geometry to two Te4+ atoms. In the fourth O2- site, O2- is bonded in a distorted trigonal non-coplanar geometry to two Y3+ and one Te4+ atom. In the fifth O2- site, O2- is bonded in a 2-coordinate geometry to one Y3+ and one Te4+ atom. In the sixth O2- site, O2- is bonded in a 3-coordinate geometry to one Y3+ and two Te4+ atoms. In the seventh O2- site, O2- is bonded in a 2-coordinate geometry to two Y3+ and one Te4+ atom. In the eighth O2- site, O2- is bonded in a distorted trigonal planar geometry to two Y3+ and one Te4+ atom. In the ninth O2- site, O2- is bonded in a distorted bent 150 degrees geometry to two Te4+ atoms. In the tenth O2- site, O2- is bonded in a distorted bent 120 degrees geometry to two Te4+ atoms. In the eleventh O2- site, O2- is bonded in a 3-coordinate geometry to two Y3+ and one Te4+ atom. In the twelfth O2- site, O2- is bonded in a 3-coordinate geometry to two equivalent Y3+ and one Te4+ atom. In the thirteenth O2- site, O2- is bonded in a 3-coordinate geometry to one Y3+ and two Te4+ atoms.

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