cometadata/datacite-titles-descriptions-related-identifiers huggingface dataset:
DOI: 10.17188/1754256
title: Materials Data on HoN3O10 by Materials Project

description: HoN3O10 crystallizes in the triclinic P-1 space group. The structure is one-dimensional and consists of one HoN3O10 ribbon oriented in the (0, 1, 0) direction. Ho is bonded in a 9-coordinate geometry to nine O atoms. There are a spread of Ho–O bond distances ranging from 2.33–2.47 Å. There are three inequivalent N sites. In the first N site, N is bonded in a trigonal planar geometry to three O atoms. There is one shorter (1.22 Å) and two longer (1.29 Å) N–O bond length. In the second N site, N is bonded in a trigonal planar geometry to three O atoms. There are a spread of N–O bond distances ranging from 1.21–1.33 Å. In the third N site, N is bonded in a trigonal planar geometry to three O atoms. There are a spread of N–O bond distances ranging from 1.21–1.33 Å. There are ten inequivalent O sites. In the first O site, O is bonded in a single-bond geometry to one Ho atom. In the second O site, O is bonded in an L-shaped geometry to one Ho and one N atom. In the third O site, O is bonded in an L-shaped geometry to one Ho and one N atom. In the fourth O site, O is bonded in a single-bond geometry to one N atom. In the fifth O site, O is bonded in a 3-coordinate geometry to two equivalent Ho and one N atom. In the sixth O site, O is bonded in a water-like geometry to one Ho and one N atom. In the seventh O site, O is bonded in a single-bond geometry to one N atom. In the eighth O site, O is bonded in a 1-coordinate geometry to two equivalent Ho and one N atom. In the ninth O site, O is bonded in a distorted water-like geometry to one Ho and one N atom. In the tenth O site, O is bonded in a single-bond geometry to one N atom.
DOI: 10.17188/1754257
title: Materials Data on Cs2TaCuI6 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: 10.17188/1754260
title: Materials Data on CrHg(PbO3)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: 10.17188/1754262
title: Materials Data on Li2Fe3CoO8 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: 10.17188/1754263
title: Materials Data on La2Cu(NF)2 by Materials Project

description: La2Cu(NF)2 crystallizes in the tetragonal I4/mmm space group. The structure is three-dimensional. La3+ is bonded in a body-centered cubic geometry to four equivalent N3- and four equivalent F1- atoms. All La–N bond lengths are 2.58 Å. All La–F bond lengths are 2.62 Å. Cu2+ is bonded in a square co-planar geometry to four equivalent N3- atoms. All Cu–N bond lengths are 2.02 Å. N3- is bonded to four equivalent La3+ and two equivalent Cu2+ atoms to form NLa4Cu2 octahedra that share corners with two equivalent NLa4Cu2 octahedra, corners with twelve equivalent FLa4 tetrahedra, edges with two equivalent NLa4Cu2 octahedra, edges with two equivalent FLa4 tetrahedra, and faces with four equivalent NLa4Cu2 octahedra. The corner-sharing octahedral tilt angles are 0°. F1- is bonded to four equivalent La3+ atoms to form FLa4 tetrahedra that share corners with twelve equivalent NLa4Cu2 octahedra, corners with four equivalent FLa4 tetrahedra, edges with two equivalent NLa4Cu2 octahedra, and edges with four equivalent FLa4 tetrahedra. The corner-sharing octahedra tilt angles range from 1–67°.
DOI: 10.17188/1754264
title: Materials Data on Sr2YCu3(PbO4)2 by Materials Project

description: Pb2Sr2YCu3O8 crystallizes in the orthorhombic Pmna space group. The structure is three-dimensional. Sr2+ is bonded in a 9-coordinate geometry to nine O2- atoms. There are a spread of Sr–O bond distances ranging from 2.64–2.84 Å. Y3+ is bonded in a body-centered cubic geometry to eight O2- atoms. There are four shorter (2.41 Å) and four longer (2.43 Å) Y–O bond lengths. There are two inequivalent Cu+1.67+ sites. In the first Cu+1.67+ site, Cu+1.67+ is bonded in a linear geometry to two equivalent O2- atoms. Both Cu–O bond lengths are 1.87 Å. In the second Cu+1.67+ site, Cu+1.67+ is bonded to five O2- atoms to form corner-sharing CuO5 square pyramids. There are four shorter (1.94 Å) and one longer (2.35 Å) Cu–O bond lengths. Pb2+ is bonded in a 5-coordinate geometry to five O2- atoms. There are a spread of Pb–O bond distances ranging from 2.19–3.15 Å. There are four inequivalent O2- sites. In the first O2- site, O2- is bonded to four equivalent Sr2+, one Cu+1.67+, and one Pb2+ atom to form a mixture of distorted edge and corner-sharing OSr4CuPb octahedra. The corner-sharing octahedra tilt angles range from 20–21°. In the second O2- site, O2- is bonded in a 1-coordinate geometry to one Sr2+, one Cu+1.67+, and four equivalent Pb2+ atoms. In the third O2- site, O2- is bonded in a 6-coordinate geometry to two equivalent Sr2+, two equivalent Y3+, and two equivalent Cu+1.67+ atoms. In the fourth O2- site, O2- is bonded in a 6-coordinate geometry to two equivalent Sr2+, two equivalent Y3+, and two equivalent Cu+1.67+ atoms.
DOI: 10.17188/1754265
title: Materials Data on MnZnCo2 by Materials Project

description: MnCo2Zn crystallizes in the orthorhombic Immm space group. The structure is one-dimensional and consists of two MnCo2Zn ribbons oriented in the (1, 0, 0) direction. Mn is bonded in a linear geometry to two equivalent Co atoms. Both Mn–Co bond lengths are 2.28 Å. Co is bonded in a linear geometry to one Mn and one Zn atom. The Co–Zn bond length is 2.41 Å. Zn is bonded in a linear geometry to two equivalent Co atoms.
DOI: 10.17188/1754266
title: Materials Data on Li5V3(NiO5)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: 10.17188/1754267
title: Materials Data on KV2(PO5)3 by Materials Project

description: KV2(PO5)3 crystallizes in the monoclinic P2_1/c space group. The structure is three-dimensional. K is bonded in a 2-coordinate geometry to nine O atoms. There are a spread of K–O bond distances ranging from 2.66–3.28 Å. There are two inequivalent V sites. In the first V site, V is bonded to six O atoms to form distorted VO6 octahedra that share corners with five PO4 tetrahedra. There are a spread of V–O bond distances ranging from 1.60–2.31 Å. In the second V site, V is bonded in a 6-coordinate geometry to six O atoms. There are a spread of V–O bond distances ranging from 1.61–2.20 Å. There are three inequivalent P sites. In the first P site, P is bonded to four O atoms to form PO4 tetrahedra that share corners with two equivalent VO6 octahedra. The corner-sharing octahedra tilt angles range from 37–43°. There are a spread of P–O bond distances ranging from 1.52–1.58 Å. In the second P site, P is bonded to four O atoms to form PO4 tetrahedra that share corners with two equivalent VO6 octahedra. The corner-sharing octahedra tilt angles range from 41–49°. There are a spread of P–O bond distances ranging from 1.54–1.56 Å. In the third P site, P is bonded to four O atoms to form PO4 tetrahedra that share a cornercorner with one VO6 octahedra. The corner-sharing octahedral tilt angles are 40°. There are a spread of P–O bond distances ranging from 1.52–1.57 Å. There are fifteen inequivalent O sites. In the first O site, O is bonded in a distorted bent 150 degrees geometry to one K, one V, and one P atom. In the second O site, O is bonded in a single-bond geometry to one K and one P atom. In the third O site, O is bonded in a distorted bent 150 degrees geometry to one V and one P atom. In the fourth O site, O is bonded in a distorted single-bond geometry to one K, one V, and one P atom. In the fifth O site, O is bonded in a single-bond geometry to one V atom. In the sixth O site, O is bonded in a distorted bent 120 degrees geometry to one K, one V, and one P atom. In the seventh O site, O is bonded in a single-bond geometry to one P atom. In the eighth O site, O is bonded in a bent 150 degrees geometry to one V and one P atom. In the ninth O site, O is bonded in a bent 150 degrees geometry to one V and one P atom. In the tenth O site, O is bonded in a water-like geometry to one K and one V atom. In the eleventh O site, O is bonded in a single-bond geometry to one K and one V atom. In the twelfth O site, O is bonded in a 2-coordinate geometry to one K, one V, and one P atom. In the thirteenth O site, O is bonded in a distorted bent 150 degrees geometry to one K, one V, and one P atom. In the fourteenth O site, O is bonded in a distorted water-like geometry to one K and one P atom. In the fifteenth O site, O is bonded in a bent 150 degrees geometry to one V and one P atom.
DOI: 10.17188/1754268
title: Materials Data on CaLa2BeO5 by Materials Project

description: CaBeLa2O5 crystallizes in the orthorhombic Pna2_1 space group. The structure is three-dimensional. Ca2+ is bonded in a 9-coordinate geometry to nine O2- atoms. There are a spread of Ca–O bond distances ranging from 2.49–2.85 Å. Be2+ is bonded in a tetrahedral geometry to four O2- atoms. There are a spread of Be–O bond distances ranging from 1.62–1.69 Å. There are two inequivalent La3+ sites. In the first La3+ site, La3+ is bonded in a 8-coordinate geometry to eight O2- atoms. There are a spread of La–O bond distances ranging from 2.36–2.89 Å. In the second La3+ site, La3+ is bonded in a 9-coordinate geometry to nine O2- atoms. There are a spread of La–O bond distances ranging from 2.45–2.84 Å. There are five inequivalent O2- sites. In the first O2- site, O2- is bonded in a distorted single-bond geometry to two equivalent Ca2+, one Be2+, and three La3+ atoms. In the second O2- site, O2- is bonded in a distorted single-bond geometry to two equivalent Ca2+, one Be2+, and three La3+ atoms. In the third O2- site, O2- is bonded in a 6-coordinate geometry to two equivalent Ca2+ and four La3+ atoms. In the fourth O2- site, O2- is bonded in a 1-coordinate geometry to one Ca2+, one Be2+, and four La3+ atoms. In the fifth O2- site, O2- is bonded in a 1-coordinate geometry to two equivalent Ca2+, one Be2+, and three La3+ atoms.
DOI: 10.17188/1754269
title: Materials Data on Nb2Bi3Pb2ClO11 by Materials Project

description: Bi3Pb2Nb2O11Cl crystallizes in the tetragonal P4/mmm space group. The structure is three-dimensional. Nb5+ is bonded in a 6-coordinate geometry to six O2- atoms. There are a spread of Nb–O bond distances ranging from 1.81–2.29 Å. Pb2+ is bonded in a 8-coordinate geometry to eight O2- atoms. There are four shorter (2.43 Å) and four longer (3.06 Å) Pb–O bond lengths. There are two inequivalent Bi3+ sites. In the first Bi3+ site, Bi3+ is bonded to twelve O2- atoms to form a mixture of face and corner-sharing BiO12 cuboctahedra. There are eight shorter (2.71 Å) and four longer (2.79 Å) Bi–O bond lengths. In the second Bi3+ site, Bi3+ is bonded in a 4-coordinate geometry to four equivalent O2- and four equivalent Cl1- atoms. All Bi–O bond lengths are 2.26 Å. All Bi–Cl bond lengths are 3.45 Å. There are four inequivalent O2- sites. In the first O2- site, O2- is bonded in a single-bond geometry to one Nb5+ and four equivalent Pb2+ atoms. In the second O2- site, O2- is bonded to two equivalent Pb2+ and two equivalent Bi3+ atoms to form a mixture of edge and corner-sharing OBi2Pb2 tetrahedra. In the third O2- site, O2- is bonded in a distorted bent 150 degrees geometry to two equivalent Nb5+ and two equivalent Bi3+ atoms. In the fourth O2- site, O2- is bonded to two equivalent Nb5+ and four equivalent Bi3+ atoms to form a mixture of distorted edge and corner-sharing ONb2Bi4 octahedra. The corner-sharing octahedral tilt angles are 0°. Cl1- is bonded in a body-centered cubic geometry to eight equivalent Bi3+ atoms.
DOI: 10.17188/1754270
title: Materials Data on Fe(SO4)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: 10.17188/1754272
title: Materials Data on Mg2ZnHg by Materials Project

description: Mg2HgZn crystallizes in the orthorhombic Immm space group. The structure is one-dimensional and consists of two Mg2HgZn ribbons oriented in the (0, 1, 0) direction. Mg is bonded in a linear geometry to one Hg and one Zn atom. The Mg–Hg bond length is 2.99 Å. The Mg–Zn bond length is 2.96 Å. Hg is bonded in a linear geometry to two equivalent Mg atoms. Zn is bonded in a linear geometry to two equivalent Mg atoms.
DOI: 10.17188/1754273
title: Materials Data on ThSi3Rh by Materials Project

description: ThRhSi3 crystallizes in the tetragonal I4mm space group. The structure is three-dimensional. Th is bonded in a 12-coordinate geometry to five equivalent Rh and twelve Si atoms. There are one shorter (3.33 Å) and four longer (3.39 Å) Th–Rh bond lengths. There are a spread of Th–Si bond distances ranging from 3.13–3.35 Å. Rh is bonded in a 5-coordinate geometry to five equivalent Th and five Si atoms. There are one shorter (2.38 Å) and four longer (2.39 Å) Rh–Si bond lengths. There are two inequivalent Si sites. In the first Si site, Si is bonded in a distorted single-bond geometry to four equivalent Th and one Rh atom. In the second Si site, Si is bonded in a distorted bent 120 degrees geometry to four equivalent Th and two equivalent Rh atoms.
DOI: 10.17188/1754274
title: Materials Data on Ca2WO5 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: 10.17188/1754275
title: Materials Data on ZrCrO4 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: 10.17188/1754276
title: Materials Data on CdSnAu by Materials Project

description: AuCdSn is half-Heusler structured and crystallizes in the cubic F-43m space group. The structure is three-dimensional. Au is bonded in a 4-coordinate geometry to six equivalent Cd and four equivalent Sn atoms. All Au–Cd bond lengths are 3.37 Å. All Au–Sn bond lengths are 2.92 Å. Cd is bonded in a 10-coordinate geometry to six equivalent Au and four equivalent Sn atoms. All Cd–Sn bond lengths are 2.92 Å. Sn is bonded in a body-centered cubic geometry to four equivalent Au and four equivalent Cd atoms.
DOI: 10.17188/1754277
title: Materials Data on Ca(Mo3S4)2 by Materials Project

description: CaMo6S8 crystallizes in the triclinic P-1 space group. The structure is three-dimensional. Ca2+ is bonded in a body-centered cubic geometry to eight S2- atoms. There are a spread of Ca–S bond distances ranging from 2.74–3.12 Å. There are three inequivalent Mo+2.33+ sites. In the first Mo+2.33+ site, Mo+2.33+ is bonded to five S2- atoms to form a mixture of edge and corner-sharing MoS5 square pyramids. There are a spread of Mo–S bond distances ranging from 2.41–2.61 Å. In the second Mo+2.33+ site, Mo+2.33+ is bonded to five S2- atoms to form a mixture of edge and corner-sharing MoS5 square pyramids. There are a spread of Mo–S bond distances ranging from 2.44–2.61 Å. In the third Mo+2.33+ site, Mo+2.33+ is bonded to five S2- atoms to form a mixture of edge and corner-sharing MoS5 square pyramids. There are a spread of Mo–S bond distances ranging from 2.40–2.60 Å. There are four inequivalent S2- sites. In the first S2- site, S2- is bonded in a 5-coordinate geometry to one Ca2+ and four Mo+2.33+ atoms. In the second S2- site, S2- is bonded in a 1-coordinate geometry to one Ca2+ and three Mo+2.33+ atoms. In the third S2- site, S2- is bonded in a 5-coordinate geometry to one Ca2+ and four Mo+2.33+ atoms. In the fourth S2- site, S2- is bonded in a 5-coordinate geometry to one Ca2+ and four Mo+2.33+ atoms.
DOI: 10.17188/1754278
title: Materials Data on KNb3CuO9 by Materials Project

description: KCuNb3O9 crystallizes in the orthorhombic Pnc2 space group. The structure is three-dimensional. K1+ is bonded in a 11-coordinate geometry to eleven O2- atoms. There are a spread of K–O bond distances ranging from 2.72–3.29 Å. There are three inequivalent Nb5+ sites. In the first Nb5+ site, Nb5+ is bonded to six O2- atoms to form corner-sharing NbO6 octahedra. The corner-sharing octahedra tilt angles range from 22–47°. There are a spread of Nb–O bond distances ranging from 1.95–2.12 Å. In the second Nb5+ site, Nb5+ is bonded to six O2- atoms to form corner-sharing NbO6 octahedra. The corner-sharing octahedra tilt angles range from 27–39°. There are a spread of Nb–O bond distances ranging from 1.85–2.28 Å. In the third Nb5+ site, Nb5+ is bonded to six O2- atoms to form corner-sharing NbO6 octahedra. The corner-sharing octahedra tilt angles range from 27–47°. There are a spread of Nb–O bond distances ranging from 1.95–2.17 Å. There are two inequivalent Cu2+ sites. In the first Cu2+ site, Cu2+ is bonded in a rectangular see-saw-like geometry to four O2- atoms. There are two shorter (1.96 Å) and two longer (2.07 Å) Cu–O bond lengths. In the second Cu2+ site, Cu2+ is bonded in a square co-planar geometry to four O2- atoms. All Cu–O bond lengths are 1.98 Å. There are ten inequivalent O2- sites. In the first O2- site, O2- is bonded in a distorted trigonal planar geometry to two Nb5+ and one Cu2+ atom. In the second O2- site, O2- is bonded in a 2-coordinate geometry to two equivalent K1+ and two Nb5+ atoms. In the third O2- site, O2- is bonded in a distorted trigonal planar geometry to two Nb5+ and one Cu2+ atom. In the fourth O2- site, O2- is bonded in a trigonal planar geometry to two Nb5+ and one Cu2+ atom. In the fifth O2- site, O2- is bonded in a 3-coordinate geometry to one K1+, two equivalent Nb5+, and one Cu2+ atom. In the sixth O2- site, O2- is bonded in a 2-coordinate geometry to two equivalent K1+ and two Nb5+ atoms. In the seventh O2- site, O2- is bonded in a distorted bent 150 degrees geometry to two equivalent K1+ and two equivalent Nb5+ atoms. In the eighth O2- site, O2- is bonded in a distorted bent 150 degrees geometry to two equivalent K1+ and two equivalent Nb5+ atoms. In the ninth O2- site, O2- is bonded in a 2-coordinate geometry to two equivalent K1+ and two Nb5+ atoms. In the tenth O2- site, O2- is bonded in a distorted bent 150 degrees geometry to two equivalent K1+ and two Nb5+ atoms.
DOI: 10.17188/1754281
title: Materials Data on Li6Mn5O12 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: 10.17188/1754282
title: Materials Data on Pr2Y by Materials Project

description: Pr2Y is beta-derived structured and crystallizes in the trigonal R-3m space group. The structure is three-dimensional. Pr is bonded to nine equivalent Pr and three equivalent Y atoms to form PrPr9Y3 cuboctahedra that share corners with six equivalent YPr6Y6 cuboctahedra, corners with nine equivalent PrPr9Y3 cuboctahedra, edges with six equivalent YPr6Y6 cuboctahedra, edges with fifteen equivalent PrPr9Y3 cuboctahedra, faces with seven equivalent YPr6Y6 cuboctahedra, and faces with twelve equivalent PrPr9Y3 cuboctahedra. There are six shorter (3.67 Å) and three longer (3.81 Å) Pr–Pr bond lengths. All Pr–Y bond lengths are 3.63 Å. Y is bonded to six equivalent Pr and six equivalent Y atoms to form YPr6Y6 cuboctahedra that share corners with six equivalent YPr6Y6 cuboctahedra, corners with twelve equivalent PrPr9Y3 cuboctahedra, edges with six equivalent YPr6Y6 cuboctahedra, edges with twelve equivalent PrPr9Y3 cuboctahedra, faces with six equivalent YPr6Y6 cuboctahedra, and faces with fourteen equivalent PrPr9Y3 cuboctahedra. All Y–Y bond lengths are 3.67 Å.
DOI: 10.17188/1754283
title: Materials Data on Mg2Si by Materials Project

description: Mg2Si crystallizes in the monoclinic P2_1/m space group. The structure is three-dimensional. there are two inequivalent Mg2+ sites. In the first Mg2+ site, Mg2+ is bonded in a distorted square co-planar geometry to four equivalent Si4- atoms. There are two shorter (2.96 Å) and two longer (3.00 Å) Mg–Si bond lengths. In the second Mg2+ site, Mg2+ is bonded to five equivalent Si4- atoms to form a mixture of edge and corner-sharing MgSi5 trigonal bipyramids. There are a spread of Mg–Si bond distances ranging from 2.65–3.07 Å. Si4- is bonded in a 3-coordinate geometry to nine Mg2+ atoms.
DOI: 10.17188/1754284
title: Materials Data on Li2VAsCO7 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: 10.17188/1754285
title: Materials Data on NaCo3O4 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: 10.17188/1754287
title: Materials Data on Bi2Pd(SeO3)4 by Materials Project

description: Bi2Pd(SeO3)4 crystallizes in the monoclinic P2_1/c space group. The structure is three-dimensional. Pd4+ is bonded in a square co-planar geometry to four O2- atoms. All Pd–O bond lengths are 2.04 Å. Bi3+ is bonded in a 8-coordinate geometry to eight O2- atoms. There are a spread of Bi–O bond distances ranging from 2.31–2.87 Å. There are two inequivalent Se+3.50+ sites. In the first Se+3.50+ site, Se+3.50+ is bonded in a trigonal non-coplanar geometry to three O2- atoms. There is two shorter (1.73 Å) and one longer (1.77 Å) Se–O bond length. In the second Se+3.50+ site, Se+3.50+ is bonded in a trigonal non-coplanar geometry to three O2- atoms. There are a spread of Se–O bond distances ranging from 1.72–1.77 Å. There are six inequivalent O2- sites. In the first O2- site, O2- is bonded in a 3-coordinate geometry to two equivalent Bi3+ and one Se+3.50+ atom. In the second O2- site, O2- is bonded in a 2-coordinate geometry to one Pd4+, one Bi3+, and one Se+3.50+ atom. In the third O2- site, O2- is bonded in a distorted bent 150 degrees geometry to one Bi3+ and one Se+3.50+ atom. In the fourth O2- site, O2- is bonded in a 3-coordinate geometry to two equivalent Bi3+ and one Se+3.50+ atom. In the fifth O2- site, O2- is bonded in a water-like geometry to one Pd4+ and one Se+3.50+ atom. In the sixth O2- site, O2- is bonded in a 2-coordinate geometry to two equivalent Bi3+ and one Se+3.50+ atom.