cometadata/datacite-titles-descriptions-related-identifiers huggingface dataset:
DOI: 10.17188/1747850
title: Materials Data on Cu4AsClO6 by Materials Project

description: Cu4AsO6Cl crystallizes in the orthorhombic Pbcm space group. The structure is three-dimensional. there are three inequivalent Cu2+ sites. In the first Cu2+ site, Cu2+ is bonded to four O2- and one Cl1- atom to form distorted CuClO4 square pyramids that share a cornercorner with one CuClO4 square pyramid, corners with two equivalent AsO4 tetrahedra, and edges with two equivalent CuClO4 square pyramids. There are a spread of Cu–O bond distances ranging from 1.94–2.45 Å. The Cu–Cl bond length is 2.33 Å. In the second Cu2+ site, Cu2+ is bonded in a rectangular see-saw-like geometry to four O2- atoms. There is two shorter (1.94 Å) and two longer (1.98 Å) Cu–O bond length. In the third Cu2+ site, Cu2+ is bonded in a 4-coordinate geometry to four O2- and one Cl1- atom. There is two shorter (1.97 Å) and two longer (2.00 Å) Cu–O bond length. The Cu–Cl bond length is 2.61 Å. As5+ is bonded to four O2- atoms to form AsO4 tetrahedra that share corners with four equivalent CuClO4 square pyramids. There is two shorter (1.72 Å) and two longer (1.75 Å) As–O bond length. There are three inequivalent O2- sites. In the first O2- site, O2- is bonded to four Cu2+ atoms to form distorted edge-sharing OCu4 tetrahedra. In the second O2- site, O2- is bonded in a 3-coordinate geometry to two equivalent Cu2+ and one As5+ atom. In the third O2- site, O2- is bonded in a distorted trigonal planar geometry to two Cu2+ and one As5+ atom. Cl1- is bonded in a 3-coordinate geometry to three Cu2+ atoms.
DOI: 10.17188/1747851
title: Materials Data on NaV2O4 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: 10.17188/1747853
title: Materials Data on Ce2InCu2 by Materials Project

description: Ce2Cu2In crystallizes in the tetragonal P4/mbm space group. The structure is three-dimensional. there are four inequivalent Ce sites. In the first Ce site, Ce is bonded in a 11-coordinate geometry to three Ce, six equivalent Cu, and two equivalent In atoms. There are one shorter (2.88 Å) and two longer (3.15 Å) Ce–Ce bond lengths. There are four shorter (2.93 Å) and two longer (2.94 Å) Ce–Cu bond lengths. Both Ce–In bond lengths are 3.33 Å. In the second Ce site, Ce is bonded in a 11-coordinate geometry to three Ce, six equivalent Cu, and two equivalent In atoms. Both Ce–Ce bond lengths are 3.15 Å. There are four shorter (2.93 Å) and two longer (2.94 Å) Ce–Cu bond lengths. Both Ce–In bond lengths are 3.33 Å. In the third Ce site, Ce is bonded in a 11-coordinate geometry to three Ce, six equivalent Cu, and two equivalent In atoms. There are one shorter (2.88 Å) and two longer (3.15 Å) Ce–Ce bond lengths. There are four shorter (2.93 Å) and two longer (2.94 Å) Ce–Cu bond lengths. Both Ce–In bond lengths are 3.33 Å. In the fourth Ce site, Ce is bonded in a 11-coordinate geometry to three Ce, six equivalent Cu, and two equivalent In atoms. Both Ce–Ce bond lengths are 3.15 Å. There are four shorter (2.93 Å) and two longer (2.94 Å) Ce–Cu bond lengths. Both Ce–In bond lengths are 3.33 Å. Cu is bonded in a 6-coordinate geometry to six Ce atoms. In is bonded to four Ce and two equivalent In atoms to form distorted corner-sharing InCe4In2 octahedra. The corner-sharing octahedra tilt angles range from 0–54°. Both In–In bond lengths are 3.15 Å.
DOI: 10.17188/1747854
title: Materials Data on HgP2(PdO4)2 by Materials Project

description: HgP2(PdO4)2 crystallizes in the orthorhombic Fddd space group. The structure is three-dimensional. Pd2+ is bonded in a square co-planar geometry to four O2- atoms. There are two shorter (2.05 Å) and two longer (2.06 Å) Pd–O bond lengths. Hg2+ is bonded in a 8-coordinate geometry to eight O2- atoms. There are four shorter (2.38 Å) and four longer (2.70 Å) Hg–O bond lengths. P5+ is bonded in a tetrahedral geometry to four O2- atoms. There is two shorter (1.55 Å) and two longer (1.57 Å) P–O bond length. There are two inequivalent O2- sites. In the first O2- site, O2- is bonded in a 1-coordinate geometry to one Pd2+, one Hg2+, and one P5+ atom. In the second O2- site, O2- is bonded in a distorted trigonal planar geometry to one Pd2+, one Hg2+, and one P5+ atom.
DOI: 10.17188/1747855
title: Materials Data on Na(WO3)9 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: 10.17188/1747856
title: Materials Data on NdAg3 by Materials Project

description: NdAg3 crystallizes in the hexagonal P6_3/mmc space group. The structure is three-dimensional. Nd is bonded to twelve equivalent Ag atoms to form a mixture of face and corner-sharing NdAg12 cuboctahedra. There are six shorter (3.20 Å) and six longer (3.29 Å) Nd–Ag bond lengths. Ag is bonded in a 4-coordinate geometry to four equivalent Nd and six equivalent Ag atoms. All Ag–Ag bond lengths are 2.98 Å.
DOI: 10.17188/1747857
title: Materials Data on Sn3Ru by Materials Project

description: RuSn3 crystallizes in the hexagonal P6_3/mmc space group. The structure is one-dimensional and consists of two RuSn3 ribbons oriented in the (0, 0, 1) direction. Ru is bonded in a 12-coordinate geometry to six equivalent Sn atoms. All Ru–Sn bond lengths are 2.86 Å. Sn is bonded in a distorted water-like geometry to two equivalent Ru atoms.
DOI: 10.17188/1747858
title: Materials Data on ZnO2 by Materials Project

description: ZnO2 crystallizes in the orthorhombic Imm2 space group. The structure is two-dimensional and consists of two ZnO2 sheets oriented in the (0, 0, 1) direction. there are two inequivalent Zn sites. In the first Zn site, Zn is bonded to four O atoms to form corner-sharing ZnO4 tetrahedra. There are a spread of Zn–O bond distances ranging from 1.87–2.03 Å. In the second Zn site, Zn is bonded to four O atoms to form corner-sharing ZnO4 tetrahedra. There is two shorter (1.96 Å) and two longer (2.01 Å) Zn–O bond length. There are four inequivalent O sites. In the first O site, O is bonded in a distorted bent 150 degrees geometry to two Zn atoms. In the second O site, O is bonded in a distorted trigonal planar geometry to two equivalent Zn and one O atom. The O–O bond length is 1.41 Å. In the third O site, O is bonded in a distorted water-like geometry to two equivalent Zn atoms. In the fourth O site, O is bonded in a distorted trigonal planar geometry to two equivalent Zn and one O atom. The O–O bond length is 1.47 Å.
DOI: 10.17188/1747861
title: Materials Data on CsNiF3 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: 10.17188/1747862
title: Materials Data on Ti3(Co10B3)2 by Materials Project

description: Ti3(Co10B3)2 crystallizes in the cubic Fm-3m space group. The structure is three-dimensional. there are two inequivalent Ti sites. In the first Ti site, Ti is bonded in a cuboctahedral geometry to twelve equivalent Co atoms. All Ti–Co bond lengths are 2.54 Å. In the second Ti site, Ti is bonded in a distorted tetrahedral geometry to four equivalent Co atoms. All Ti–Co bond lengths are 2.41 Å. There are two inequivalent Co sites. In the first Co site, Co is bonded to one Ti and three equivalent B atoms to form a mixture of edge and corner-sharing CoTiB3 tetrahedra. All Co–B bond lengths are 2.10 Å. In the second Co site, Co is bonded in a 2-coordinate geometry to one Ti and two equivalent B atoms. Both Co–B bond lengths are 2.08 Å. B is bonded in a 8-coordinate geometry to eight Co atoms.
DOI: 10.17188/1747863
title: Materials Data on MnN2F5 by Materials Project

description: (MnF3)2N2(NF2)2 crystallizes in the orthorhombic Pnma space group. The structure is one-dimensional and consists of four ammonia molecules; four difluoroamine molecules; and two MnF3 ribbons oriented in the (0, 1, 0) direction. In each MnF3 ribbon, Mn3+ is bonded in a distorted square co-planar geometry to four F1- atoms. There is two shorter (1.80 Å) and two longer (1.93 Å) Mn–F bond length. There are two inequivalent F1- sites. In the first F1- site, F1- is bonded in a single-bond geometry to one Mn3+ atom. In the second F1- site, F1- is bonded in a bent 150 degrees geometry to two equivalent Mn3+ atoms.
DOI: 10.17188/1747865
title: Materials Data on TbAlAu by Materials Project

description: TbAuAl crystallizes in the orthorhombic Pnma space group. The structure is three-dimensional. Tb is bonded in a 5-coordinate geometry to six equivalent Au and six equivalent Al atoms. There are a spread of Tb–Au bond distances ranging from 3.05–3.58 Å. There are a spread of Tb–Al bond distances ranging from 3.15–3.37 Å. Au is bonded in a 9-coordinate geometry to six equivalent Tb and four equivalent Al atoms. There are a spread of Au–Al bond distances ranging from 2.64–2.76 Å. Al is bonded in a 4-coordinate geometry to six equivalent Tb and four equivalent Au atoms.
DOI: 10.17188/1747866
title: Materials Data on Ho(TlTe2)3 by Materials Project

description: Ho(TlTe2)2Tl(Te)2 crystallizes in the orthorhombic Cmmm space group. The structure is two-dimensional and consists of four tellurium molecules; two thallium molecules; and one Ho(TlTe2)2 sheet oriented in the (0, 0, 1) direction. In the Ho(TlTe2)2 sheet, Ho3+ is bonded in a distorted rectangular see-saw-like geometry to four equivalent Te1- atoms. All Ho–Te bond lengths are 2.93 Å. Tl1+ is bonded in a linear geometry to two equivalent Te1- atoms. Both Tl–Te bond lengths are 3.26 Å. Te1- is bonded in a 2-coordinate geometry to one Ho3+, one Tl1+, and one Te1- atom. The Te–Te bond length is 2.99 Å.
DOI: 10.17188/1747868
title: Materials Data on LiAs2H3O7 by Materials Project

description: LiAs2H3O7 crystallizes in the monoclinic C2/m space group. The structure is three-dimensional. Li1+ is bonded to four O2- atoms to form distorted LiO4 trigonal pyramids that share corners with two equivalent AsO6 octahedra, corners with two equivalent AsO4 tetrahedra, and an edgeedge with one LiO4 trigonal pyramid. The corner-sharing octahedral tilt angles are 51°. There are two shorter (2.00 Å) and two longer (2.01 Å) Li–O bond lengths. There are two inequivalent As5+ sites. In the first As5+ site, As5+ is bonded to four O2- atoms to form AsO4 tetrahedra that share corners with two equivalent AsO6 octahedra and corners with two equivalent LiO4 trigonal pyramids. The corner-sharing octahedral tilt angles are 61°. There are a spread of As–O bond distances ranging from 1.67–1.77 Å. In the second As5+ site, As5+ is bonded to six O2- atoms to form AsO6 octahedra that share corners with two equivalent AsO4 tetrahedra, corners with two equivalent LiO4 trigonal pyramids, and an edgeedge with one AsO6 octahedra. There are a spread of As–O bond distances ranging from 1.82–1.90 Å. There are two inequivalent H1+ sites. In the first H1+ site, H1+ is bonded in a single-bond geometry to one O2- atom. The H–O bond length is 0.98 Å. In the second H1+ site, H1+ is bonded in a distorted single-bond geometry to two O2- atoms. There is one shorter (1.02 Å) and one longer (1.66 Å) H–O bond length. There are five inequivalent O2- sites. In the first O2- site, O2- is bonded in a distorted trigonal planar geometry to one Li1+, one As5+, and one H1+ atom. In the second O2- site, O2- is bonded in a distorted trigonal planar geometry to two equivalent As5+ and one H1+ atom. In the third O2- site, O2- is bonded in a distorted T-shaped geometry to two equivalent Li1+ and one As5+ atom. In the fourth O2- site, O2- is bonded in a bent 120 degrees geometry to two As5+ atoms. In the fifth O2- site, O2- is bonded in a distorted water-like geometry to one As5+ and one H1+ atom.
DOI: 10.17188/1747869
title: Materials Data on FeB by Materials Project

description: FeB is delta Molybdenum Boride structured and crystallizes in the tetragonal I4_1/amd space group. The structure is three-dimensional. Fe3+ is bonded in a 7-coordinate geometry to seven equivalent B3- atoms. There are four shorter (2.14 Å) and three longer (2.16 Å) Fe–B bond lengths. B3- is bonded in a 9-coordinate geometry to seven equivalent Fe3+ and two equivalent B3- atoms. Both B–B bond lengths are 1.80 Å.
DOI: 10.17188/1747870
title: Materials Data on Sc2Se3O10 by Materials Project

description: Sc2Se3O10 crystallizes in the monoclinic P2_1/c space group. The structure is three-dimensional. there are two inequivalent Sc3+ sites. In the first Sc3+ site, Sc3+ is bonded to seven O2- atoms to form ScO7 pentagonal bipyramids that share corners with two equivalent SeO4 tetrahedra and edges with two equivalent ScO7 pentagonal bipyramids. There are a spread of Sc–O bond distances ranging from 2.04–2.28 Å. In the second Sc3+ site, Sc3+ is bonded to seven O2- atoms to form distorted ScO7 pentagonal bipyramids that share corners with two equivalent SeO4 tetrahedra and edges with two equivalent ScO7 pentagonal bipyramids. There are a spread of Sc–O bond distances ranging from 2.11–2.63 Å. There are three inequivalent Se+4.67+ sites. In the first Se+4.67+ site, Se+4.67+ is bonded in a trigonal non-coplanar geometry to three O2- atoms. There are a spread of Se–O bond distances ranging from 1.69–1.76 Å. In the second Se+4.67+ site, Se+4.67+ is bonded in a trigonal non-coplanar geometry to three O2- atoms. There are a spread of Se–O bond distances ranging from 1.70–1.75 Å. In the third Se+4.67+ site, Se+4.67+ is bonded to four O2- atoms to form SeO4 tetrahedra that share corners with four ScO7 pentagonal bipyramids. There is three shorter (1.66 Å) and one longer (1.68 Å) Se–O bond length. There are ten inequivalent O2- sites. In the first O2- site, O2- is bonded in a distorted trigonal planar geometry to two Sc3+ and one Se+4.67+ atom. In the second O2- site, O2- is bonded in a 3-coordinate geometry to two Sc3+ and one Se+4.67+ atom. In the third O2- site, O2- is bonded in a bent 120 degrees geometry to one Sc3+ and one Se+4.67+ atom. In the fourth O2- site, O2- is bonded in a bent 120 degrees geometry to one Sc3+ and one Se+4.67+ atom. In the fifth O2- site, O2- is bonded in a distorted bent 150 degrees geometry to one Sc3+ and one Se+4.67+ atom. In the sixth O2- site, O2- is bonded in a distorted trigonal planar geometry to two Sc3+ and one Se+4.67+ atom. In the seventh O2- site, O2- is bonded in a bent 150 degrees geometry to one Sc3+ and one Se+4.67+ atom. In the eighth O2- site, O2- is bonded in a bent 150 degrees geometry to one Sc3+ and one Se+4.67+ atom. In the ninth O2- site, O2- is bonded in a bent 150 degrees geometry to one Sc3+ and one Se+4.67+ atom. In the tenth O2- site, O2- is bonded in a distorted bent 150 degrees geometry to two Sc3+ and one Se+4.67+ atom.
DOI: 10.17188/1747871
title: Materials Data on Hg by Materials Project

description: Hg crystallizes in the orthorhombic Ama2 space group. The structure is three-dimensional and consists of eight mercury molecules and one Hg framework. In the Hg framework, there are ten inequivalent Hg sites. In the first Hg site, Hg is bonded in a 5-coordinate geometry to five Hg atoms. There are a spread of Hg–Hg bond distances ranging from 3.28–3.33 Å. In the second Hg site, Hg is bonded in a 5-coordinate geometry to five Hg atoms. There are a spread of Hg–Hg bond distances ranging from 3.28–3.34 Å. In the third Hg site, Hg is bonded in a 5-coordinate geometry to five Hg atoms. There are a spread of Hg–Hg bond distances ranging from 3.28–3.34 Å. In the fourth Hg site, Hg is bonded in a 6-coordinate geometry to six Hg atoms. There are two shorter (3.25 Å) and two longer (3.26 Å) Hg–Hg bond lengths. In the fifth Hg site, Hg is bonded in a 6-coordinate geometry to six Hg atoms. There are two shorter (3.25 Å) and two longer (3.26 Å) Hg–Hg bond lengths. In the sixth Hg site, Hg is bonded in a 6-coordinate geometry to six Hg atoms. All Hg–Hg bond lengths are 3.25 Å. In the seventh Hg site, Hg is bonded in a distorted hexagonal planar geometry to six Hg atoms. Both Hg–Hg bond lengths are 3.32 Å. In the eighth Hg site, Hg is bonded in a distorted hexagonal planar geometry to six Hg atoms. Both Hg–Hg bond lengths are 3.32 Å. In the ninth Hg site, Hg is bonded in a distorted hexagonal planar geometry to six Hg atoms. In the tenth Hg site, Hg is bonded in a distorted hexagonal planar geometry to six Hg atoms.
DOI: 10.17188/1747872
title: Materials Data on LiNiP2O7 by Materials Project

description: LiNiP2O7 crystallizes in the triclinic P-1 space group. The structure is three-dimensional. Li1+ is bonded in a 4-coordinate geometry to six O2- atoms. There are a spread of Li–O bond distances ranging from 2.07–2.75 Å. Ni3+ is bonded to six O2- atoms to form NiO6 octahedra that share corners with six PO4 tetrahedra and an edgeedge with one NiO6 octahedra. There are a spread of Ni–O bond distances ranging from 2.04–2.16 Å. There are two inequivalent P5+ sites. In the first P5+ site, P5+ is bonded to four O2- atoms to form PO4 tetrahedra that share corners with three equivalent NiO6 octahedra and a cornercorner with one PO4 tetrahedra. The corner-sharing octahedra tilt angles range from 35–55°. There are a spread of P–O bond distances ranging from 1.52–1.61 Å. In the second P5+ site, P5+ is bonded to four O2- atoms to form PO4 tetrahedra that share corners with three equivalent NiO6 octahedra and a cornercorner with one PO4 tetrahedra. The corner-sharing octahedra tilt angles range from 45–60°. There are a spread of P–O bond distances ranging from 1.52–1.60 Å. There are seven inequivalent O2- sites. In the first O2- site, O2- is bonded in a distorted trigonal planar geometry to two equivalent Ni3+ and one P5+ atom. In the second O2- site, O2- is bonded in a distorted trigonal planar geometry to two equivalent Li1+ and one P5+ atom. In the third O2- site, O2- is bonded in a distorted bent 150 degrees geometry to one Li1+, one Ni3+, and one P5+ atom. In the fourth O2- site, O2- is bonded in a distorted trigonal planar geometry to one Li1+, one Ni3+, and one P5+ atom. In the fifth O2- site, O2- is bonded in a 3-coordinate geometry to one Li1+, one Ni3+, and one P5+ atom. In the sixth O2- site, O2- is bonded in a 3-coordinate geometry to one Li1+, one Ni3+, and one P5+ atom. In the seventh O2- site, O2- is bonded in a distorted bent 150 degrees geometry to two P5+ atoms.
DOI: 10.17188/1747874
title: Materials Data on Fe2CoO6 by Materials Project

description: Fe2CoO6 is Hydrophilite-derived structured and crystallizes in the monoclinic C2 space group. The structure is three-dimensional. there are four inequivalent Fe sites. In the first Fe site, Fe is bonded to six O atoms to form FeO6 octahedra that share corners with four equivalent CoO6 octahedra, corners with six FeO6 octahedra, and an edgeedge with one CoO6 octahedra. The corner-sharing octahedra tilt angles range from 50–53°. There are a spread of Fe–O bond distances ranging from 1.98–2.03 Å. In the second Fe site, Fe is bonded to six O atoms to form FeO6 octahedra that share corners with two equivalent CoO6 octahedra, corners with six FeO6 octahedra, and edges with two equivalent CoO6 octahedra. The corner-sharing octahedra tilt angles range from 50–54°. There are a spread of Fe–O bond distances ranging from 1.94–1.98 Å. In the third Fe site, Fe is bonded to six O atoms to form FeO6 octahedra that share corners with two equivalent CoO6 octahedra, corners with six FeO6 octahedra, and edges with two equivalent CoO6 octahedra. The corner-sharing octahedra tilt angles range from 51–53°. There are a spread of Fe–O bond distances ranging from 1.94–1.99 Å. In the fourth Fe site, Fe is bonded to six O atoms to form FeO6 octahedra that share corners with four equivalent CoO6 octahedra, corners with six FeO6 octahedra, and an edgeedge with one CoO6 octahedra. The corner-sharing octahedra tilt angles range from 51–52°. There are a spread of Fe–O bond distances ranging from 1.98–2.04 Å. There are two inequivalent Co sites. In the first Co site, Co is bonded to six O atoms to form CoO6 octahedra that share corners with six FeO6 octahedra and edges with three FeO6 octahedra. The corner-sharing octahedra tilt angles range from 51–53°. There are a spread of Co–O bond distances ranging from 1.86–1.88 Å. In the second Co site, Co is bonded to six O atoms to form CoO6 octahedra that share corners with six FeO6 octahedra and edges with three FeO6 octahedra. The corner-sharing octahedra tilt angles range from 52–54°. There are a spread of Co–O bond distances ranging from 1.83–1.88 Å. There are nine inequivalent O sites. In the first O site, O is bonded in a trigonal planar geometry to two Fe and one Co atom. In the second O site, O is bonded in a trigonal planar geometry to two Fe and one Co atom. In the third O site, O is bonded in a distorted trigonal planar geometry to two Fe and one Co atom. In the fourth O site, O is bonded in a distorted trigonal planar geometry to two Fe and one Co atom. In the fifth O site, O is bonded in a trigonal planar geometry to two Fe and one Co atom. In the sixth O site, O is bonded in a trigonal planar geometry to two Fe and one Co atom. In the seventh O site, O is bonded in a distorted trigonal planar geometry to two Fe and one Co atom. In the eighth O site, O is bonded in a distorted trigonal planar geometry to two Fe and one Co atom. In the ninth O site, O is bonded in a trigonal planar geometry to two Fe and one Co atom.
DOI: 10.17188/1747875
title: Materials Data on Li2Fe3F8 by Materials Project

description: Li2Fe3F8 crystallizes in the orthorhombic Cmce space group. The structure is three-dimensional. Li1+ is bonded to four F1- atoms to form LiF4 tetrahedra that share corners with nine FeF6 octahedra. The corner-sharing octahedra tilt angles range from 53–57°. There are a spread of Li–F bond distances ranging from 1.89–1.99 Å. There are two inequivalent Fe2+ sites. In the first Fe2+ site, Fe2+ is bonded to six F1- atoms to form FeF6 octahedra that share corners with six equivalent LiF4 tetrahedra and edges with four FeF6 octahedra. There are a spread of Fe–F bond distances ranging from 2.04–2.23 Å. In the second Fe2+ site, Fe2+ is bonded to six F1- atoms to form FeF6 octahedra that share corners with six equivalent LiF4 tetrahedra and edges with four equivalent FeF6 octahedra. There are four shorter (2.10 Å) and two longer (2.12 Å) Fe–F bond lengths. There are three inequivalent F1- sites. In the first F1- site, F1- is bonded in a distorted trigonal planar geometry to one Li1+ and two Fe2+ atoms. In the second F1- site, F1- is bonded in a rectangular see-saw-like geometry to one Li1+ and three Fe2+ atoms. In the third F1- site, F1- is bonded in a distorted trigonal planar geometry to one Li1+ and two equivalent Fe2+ atoms.