cometadata/datacite-titles-descriptions-related-identifiers huggingface dataset:
DOI: 10.17188/1267385
title: Materials Data on LaZnAsO by Materials Project

description: LaZnAsO is Parent of FeAs superconductors structured and crystallizes in the tetragonal P4/nmm space group. The structure is three-dimensional. La3+ is bonded in a 4-coordinate geometry to four equivalent As3- and four equivalent O2- atoms. All La–As bond lengths are 3.42 Å. All La–O bond lengths are 2.39 Å. Zn2+ is bonded to four equivalent As3- atoms to form a mixture of edge and corner-sharing ZnAs4 tetrahedra. All Zn–As bond lengths are 2.59 Å. As3- is bonded in a 8-coordinate geometry to four equivalent La3+ and four equivalent Zn2+ atoms. O2- is bonded to four equivalent La3+ atoms to form a mixture of edge and corner-sharing OLa4 tetrahedra.
DOI: 10.17188/1267386
title: Materials Data on RbClO2 by Materials Project

description: RbO2Cl crystallizes in the orthorhombic Cmcm space group. The structure is three-dimensional. Rb is bonded to eight equivalent O atoms to form a mixture of distorted face, edge, and corner-sharing RbO8 hexagonal bipyramids. There are four shorter (3.02 Å) and four longer (3.23 Å) Rb–O bond lengths. O is bonded in a 5-coordinate geometry to four equivalent Rb and one Cl atom. The O–Cl bond length is 1.59 Å. Cl is bonded in a water-like geometry to two equivalent O atoms.
DOI: 10.17188/1267387
title: Materials Data on Al5C3N by Materials Project

description: Al5C3N is Aluminum carbonitride-like structured and crystallizes in the hexagonal P6_3/mmc space group. The structure is three-dimensional. there are three inequivalent Al3+ sites. In the first Al3+ site, Al3+ is bonded to two equivalent C4- and three equivalent N3- atoms to form AlC2N3 trigonal bipyramids that share corners with two equivalent AlC4 tetrahedra, corners with six equivalent AlC2N3 trigonal bipyramids, and edges with six equivalent AlC3N trigonal pyramids. Both Al–C bond lengths are 2.31 Å. All Al–N bond lengths are 1.93 Å. In the second Al3+ site, Al3+ is bonded to three equivalent C4- and one N3- atom to form AlC3N trigonal pyramids that share corners with three equivalent AlC4 tetrahedra, corners with seven equivalent AlC3N trigonal pyramids, and edges with three equivalent AlC2N3 trigonal bipyramids. All Al–C bond lengths are 1.95 Å. The Al–N bond length is 2.02 Å. In the third Al3+ site, Al3+ is bonded to four C4- atoms to form AlC4 tetrahedra that share corners with nine equivalent AlC4 tetrahedra, a cornercorner with one AlC2N3 trigonal bipyramid, corners with three equivalent AlC3N trigonal pyramids, and edges with three equivalent AlC4 tetrahedra. There are one shorter (1.93 Å) and three longer (2.18 Å) Al–C bond lengths. There are two inequivalent C4- sites. In the first C4- site, C4- is bonded to five Al3+ atoms to form CAl5 trigonal bipyramids that share corners with three equivalent CAl6 octahedra, corners with seven equivalent CAl5 trigonal bipyramids, and edges with three equivalent NAl5 trigonal bipyramids. The corner-sharing octahedral tilt angles are 63°. In the second C4- site, C4- is bonded to six equivalent Al3+ atoms to form CAl6 octahedra that share corners with six equivalent CAl5 trigonal bipyramids and edges with six equivalent CAl6 octahedra. N3- is bonded to five Al3+ atoms to form NAl5 trigonal bipyramids that share corners with six equivalent NAl5 trigonal bipyramids and edges with six equivalent CAl5 trigonal bipyramids.
DOI: 10.17188/1267388
title: Materials Data on K4CO4 by Materials Project

description: K4CO4 crystallizes in the tetragonal I-42m space group. The structure is three-dimensional. K1+ is bonded in a 5-coordinate geometry to five equivalent O2- atoms. There are a spread of K–O bond distances ranging from 2.62–2.89 Å. C4+ is bonded in a tetrahedral geometry to four equivalent O2- atoms. All C–O bond lengths are 1.44 Å. O2- is bonded in a distorted single-bond geometry to five equivalent K1+ and one C4+ atom.
DOI: 10.17188/1267389
title: Materials Data on GdBi2ClO4 by Materials Project

description: GdBi2O4Cl is alpha bismuth trifluoride-derived structured and crystallizes in the tetragonal P4/mmm space group. The structure is three-dimensional. Gd3+ is bonded in a body-centered cubic geometry to eight equivalent O2- atoms. All Gd–O bond lengths are 2.42 Å. 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 3.41 Å. O2- is bonded to two equivalent Gd3+ and two equivalent Bi3+ atoms to form a mixture of corner and edge-sharing OGd2Bi2 tetrahedra. Cl1- is bonded in a body-centered cubic geometry to eight equivalent Bi3+ atoms.
DOI: 10.17188/1267390
title: Materials Data on RbGeIO6 by Materials Project

description: RbGeO6I crystallizes in the trigonal P312 space group. The structure is three-dimensional. Rb is bonded in a 6-coordinate geometry to six equivalent O atoms. All Rb–O bond lengths are 2.93 Å. Ge is bonded to six equivalent O atoms to form GeO6 octahedra that share edges with three equivalent IO6 octahedra. All Ge–O bond lengths are 1.94 Å. O is bonded in a 3-coordinate geometry to one Rb, one Ge, and one I atom. The O–I bond length is 1.92 Å. I is bonded to six equivalent O atoms to form IO6 octahedra that share edges with three equivalent GeO6 octahedra.
DOI: 10.17188/1267391
title: Materials Data on Er(CoGe)2 by Materials Project

description: ErCo2Ge2 crystallizes in the tetragonal I4/mmm space group. The structure is three-dimensional. Er is bonded in a 8-coordinate geometry to eight equivalent Co and eight equivalent Ge atoms. All Er–Co bond lengths are 3.20 Å. All Er–Ge bond lengths are 3.07 Å. Co is bonded to four equivalent Er and four equivalent Ge atoms to form a mixture of distorted edge, corner, and face-sharing CoEr4Ge4 tetrahedra. All Co–Ge bond lengths are 2.33 Å. Ge is bonded in a 9-coordinate geometry to four equivalent Er, four equivalent Co, and one Ge atom. The Ge–Ge bond length is 2.56 Å.
DOI: 10.17188/1267392
title: Materials Data on MgO by Materials Project

description: MgO is Wurtzite structured and crystallizes in the hexagonal P6_3mc space group. The structure is three-dimensional. Mg2+ is bonded to four equivalent O2- atoms to form corner-sharing MgO4 tetrahedra. There are three shorter (1.99 Å) and one longer (2.02 Å) Mg–O bond lengths. O2- is bonded to four equivalent Mg2+ atoms to form corner-sharing OMg4 tetrahedra.
DOI: 10.17188/1267393
title: Materials Data on ErBi2ClO4 (SG:123) 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: 10.17188/1267394
title: Materials Data on NbI2O by Materials Project

description: NbOI2 crystallizes in the monoclinic C2 space group. The structure is two-dimensional and consists of two NbOI2 sheets oriented in the (1, 0, 0) direction. Nb4+ is bonded in a distorted linear geometry to two equivalent O2- and four I1- atoms. There is one shorter (1.85 Å) and one longer (2.12 Å) Nb–O bond length. There are two shorter (2.80 Å) and two longer (2.92 Å) Nb–I bond lengths. O2- is bonded in a linear geometry to two equivalent Nb4+ atoms. There are two inequivalent I1- sites. In the first I1- site, I1- is bonded in a 2-coordinate geometry to two equivalent Nb4+ atoms. In the second I1- site, I1- is bonded in a distorted water-like geometry to two equivalent Nb4+ atoms.
DOI: 10.17188/1267395
title: Materials Data on DyZnPO by Materials Project

description: DyZnPO crystallizes in the trigonal R-3m space group. The structure is three-dimensional. Dy3+ is bonded in a 4-coordinate geometry to three equivalent P3- and four equivalent O2- atoms. All Dy–P bond lengths are 3.00 Å. There are one shorter (2.26 Å) and three longer (2.32 Å) Dy–O bond lengths. Zn2+ is bonded to four equivalent P3- atoms to form a mixture of corner and edge-sharing ZnP4 tetrahedra. There are three shorter (2.38 Å) and one longer (2.57 Å) Zn–P bond lengths. P3- is bonded in a 7-coordinate geometry to three equivalent Dy3+ and four equivalent Zn2+ atoms. O2- is bonded to four equivalent Dy3+ atoms to form a mixture of corner and edge-sharing ODy4 tetrahedra.
DOI: 10.17188/1267396
title: Materials Data on Ba2Ca(BO3)2 by Materials Project

description: Ba2Ca(BO3)2 crystallizes in the monoclinic C2/m space group. The structure is three-dimensional. Ba2+ is bonded in a 9-coordinate geometry to nine O2- atoms. There are a spread of Ba–O bond distances ranging from 2.79–3.06 Å. Ca2+ is bonded in an octahedral geometry to six O2- atoms. There are four shorter (2.34 Å) and two longer (2.37 Å) Ca–O bond lengths. B3+ is bonded in a trigonal planar geometry to three O2- atoms. There is one shorter (1.39 Å) and two longer (1.40 Å) B–O bond length. There are two inequivalent O2- sites. In the first O2- site, O2- is bonded in a 1-coordinate geometry to three equivalent Ba2+, one Ca2+, and one B3+ atom. In the second O2- site, O2- is bonded in a 1-coordinate geometry to three equivalent Ba2+, one Ca2+, and one B3+ atom.
DOI: 10.17188/1267397
title: Materials Data on Ca(MnAs)2 by Materials Project

description: CaMn2As2 crystallizes in the trigonal P-3m1 space group. The structure is three-dimensional. Ca2+ is bonded to six equivalent As3- atoms to form CaAs6 octahedra that share corners with twelve equivalent MnAs4 tetrahedra, edges with six equivalent CaAs6 octahedra, and edges with six equivalent MnAs4 tetrahedra. All Ca–As bond lengths are 2.99 Å. Mn2+ is bonded to four equivalent As3- atoms to form MnAs4 tetrahedra that share corners with six equivalent CaAs6 octahedra, corners with six equivalent MnAs4 tetrahedra, edges with three equivalent CaAs6 octahedra, and edges with three equivalent MnAs4 tetrahedra. The corner-sharing octahedra tilt angles range from 20–51°. There are one shorter (2.41 Å) and three longer (2.44 Å) Mn–As bond lengths. As3- is bonded to three equivalent Ca2+ and four equivalent Mn2+ atoms to form a mixture of distorted corner and edge-sharing AsCa3Mn4 pentagonal bipyramids.
DOI: 10.17188/1267398
title: Materials Data on K4CO4 by Materials Project

description: K4CO4 crystallizes in the tetragonal I-42m space group. The structure is three-dimensional. K1+ is bonded in a 6-coordinate geometry to six equivalent O2- atoms. There are a spread of K–O bond distances ranging from 2.57–3.22 Å. C4+ is bonded in a tetrahedral geometry to four equivalent O2- atoms. All C–O bond lengths are 1.45 Å. O2- is bonded in a distorted single-bond geometry to six equivalent K1+ and one C4+ atom.
DOI: 10.17188/1267399
title: Materials Data on Sn by Materials Project

description: Sn is Protactinium structured and crystallizes in the tetragonal I4/mmm space group. The structure is three-dimensional. Sn is bonded in a distorted q6 geometry to ten equivalent Sn atoms. There are eight shorter (3.33 Å) and two longer (3.40 Å) Sn–Sn bond lengths.
DOI: 10.17188/1267400
title: Materials Data on Al12Mo by Materials Project

description: Al12Mo crystallizes in the cubic Im-3 space group. The structure is three-dimensional. Mo is bonded in a cuboctahedral geometry to twelve equivalent Al atoms. All Mo–Al bond lengths are 2.73 Å. Al is bonded in a distorted single-bond geometry to one Mo and ten equivalent Al atoms. There are a spread of Al–Al bond distances ranging from 2.79–2.91 Å.
DOI: 10.17188/1267401
title: Materials Data on ScBiO3 by Materials Project

description: BiScO3 is (Cubic) Perovskite structured and crystallizes in the cubic Pm-3m space group. The structure is three-dimensional. Sc3+ is bonded to six equivalent O2- atoms to form ScO6 octahedra that share corners with six equivalent ScO6 octahedra and faces with eight equivalent BiO12 cuboctahedra. The corner-sharing octahedral tilt angles are 0°. All Sc–O bond lengths are 2.04 Å. Bi3+ is bonded to twelve equivalent O2- atoms to form BiO12 cuboctahedra that share corners with twelve equivalent BiO12 cuboctahedra, faces with six equivalent BiO12 cuboctahedra, and faces with eight equivalent ScO6 octahedra. All Bi–O bond lengths are 2.88 Å. O2- is bonded in a linear geometry to two equivalent Sc3+ and four equivalent Bi3+ atoms.
DOI: 10.17188/1267402
title: Materials Data on NbBr2O by Materials Project

description: NbOBr2 crystallizes in the monoclinic C2 space group. The structure is two-dimensional and consists of two NbOBr2 sheets oriented in the (1, 0, 0) direction. Nb4+ is bonded to two equivalent O2- and four Br1- atoms to form a mixture of distorted edge and corner-sharing NbBr4O2 octahedra. The corner-sharing octahedral tilt angles are 3°. There is one shorter (1.83 Å) and one longer (2.13 Å) Nb–O bond length. There are two shorter (2.61 Å) and two longer (2.70 Å) Nb–Br bond lengths. O2- is bonded in a linear geometry to two equivalent Nb4+ atoms. There are two inequivalent Br1- sites. In the first Br1- site, Br1- is bonded in a distorted L-shaped geometry to two equivalent Nb4+ atoms. In the second Br1- site, Br1- is bonded in a 2-coordinate geometry to two equivalent Nb4+ atoms.
DOI: 10.17188/1267403
title: Materials Data on Ba2LaIrO6 by Materials Project

description: Ba2LaIrO6 crystallizes in the trigonal R-3 space group. The structure is three-dimensional. Ba2+ is bonded to twelve equivalent O2- atoms to form distorted BaO12 cuboctahedra that share corners with twelve equivalent BaO12 cuboctahedra, faces with six equivalent BaO12 cuboctahedra, faces with four equivalent LaO6 octahedra, and faces with four equivalent IrO6 octahedra. There are a spread of Ba–O bond distances ranging from 2.87–3.28 Å. La3+ is bonded to six equivalent O2- atoms to form LaO6 octahedra that share corners with six equivalent IrO6 octahedra and faces with eight equivalent BaO12 cuboctahedra. The corner-sharing octahedral tilt angles are 11°. All La–O bond lengths are 2.35 Å. Ir5+ is bonded to six equivalent O2- atoms to form IrO6 octahedra that share corners with six equivalent LaO6 octahedra and faces with eight equivalent BaO12 cuboctahedra. The corner-sharing octahedral tilt angles are 11°. All Ir–O bond lengths are 1.99 Å. O2- is bonded in a 2-coordinate geometry to four equivalent Ba2+, one La3+, and one Ir5+ atom.
DOI: 10.17188/1267404
title: Materials Data on V2CuO6 (SG:12) 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: 10.17188/1267405
title: Materials Data on Tl(CoS)2 by Materials Project

description: TlCo2S2 is alpha bismuth trifluoride-derived structured and crystallizes in the tetragonal I4/mmm space group. The structure is three-dimensional. Co+1.50+ is bonded to four equivalent S2- atoms to form a mixture of edge and corner-sharing CoS4 tetrahedra. All Co–S bond lengths are 2.21 Å. Tl1+ is bonded in a body-centered cubic geometry to eight equivalent S2- atoms. All Tl–S bond lengths are 3.37 Å. S2- is bonded in a 4-coordinate geometry to four equivalent Co+1.50+ and four equivalent Tl1+ atoms.
DOI: 10.17188/1267406
title: Materials Data on SmBi2BrO4 by Materials Project

description: SmBi2O4Br is alpha bismuth trifluoride-derived structured and crystallizes in the tetragonal P4/mmm space group. The structure is three-dimensional. Sm3+ is bonded in a body-centered cubic geometry to eight equivalent O2- atoms. All Sm–O bond lengths are 2.45 Å. Bi3+ is bonded in a 4-coordinate geometry to four equivalent O2- and four equivalent Br1- atoms. All Bi–O bond lengths are 2.27 Å. All Bi–Br bond lengths are 3.54 Å. O2- is bonded to two equivalent Sm3+ and two equivalent Bi3+ atoms to form a mixture of edge and corner-sharing OSm2Bi2 tetrahedra. Br1- is bonded in a body-centered cubic geometry to eight equivalent Bi3+ atoms.
DOI: 10.17188/1267407
title: Materials Data on Sm4Se3O4 by Materials Project

description: Sm4Se3O4 crystallizes in the orthorhombic Amm2 space group. The structure is three-dimensional. there are three inequivalent Sm2+ sites. In the first Sm2+ site, Sm2+ is bonded in a 4-coordinate geometry to two equivalent Se and four O2- atoms. Both Sm–Se bond lengths are 3.13 Å. There are a spread of Sm–O bond distances ranging from 2.33–2.37 Å. In the second Sm2+ site, Sm2+ is bonded in a 4-coordinate geometry to four equivalent Se and four O2- atoms. All Sm–Se bond lengths are 3.15 Å. There are two shorter (2.33 Å) and two longer (2.35 Å) Sm–O bond lengths. In the third Sm2+ site, Sm2+ is bonded in a 4-coordinate geometry to two equivalent Se and four O2- atoms. Both Sm–Se bond lengths are 3.13 Å. There are two shorter (2.27 Å) and two longer (2.33 Å) Sm–O bond lengths. There are two inequivalent Se sites. In the first Se site, Se is bonded in a 2-coordinate geometry to two equivalent Sm2+ and two equivalent Se atoms. Both Se–Se bond lengths are 3.01 Å. In the second Se site, Se is bonded in a 6-coordinate geometry to four Sm2+ and two Se atoms. The Se–Se bond length is 2.52 Å. There are three inequivalent O2- sites. In the first O2- site, O2- is bonded to four Sm2+ atoms to form a mixture of corner and edge-sharing OSm4 tetrahedra. In the second O2- site, O2- is bonded to four Sm2+ atoms to form a mixture of corner and edge-sharing OSm4 tetrahedra. In the third O2- site, O2- is bonded to four Sm2+ atoms to form a mixture of corner and edge-sharing OSm4 tetrahedra.
DOI: 10.17188/1267408
title: Materials Data on SnO2 by Materials Project

description: SnO2 is Hydrophilite structured and crystallizes in the orthorhombic Pnnm space group. The structure is three-dimensional. Sn4+ is bonded to six equivalent O2- atoms to form a mixture of edge and corner-sharing SnO6 octahedra. The corner-sharing octahedral tilt angles are 51°. There are four shorter (2.09 Å) and two longer (2.10 Å) Sn–O bond lengths. O2- is bonded in a trigonal planar geometry to three equivalent Sn4+ atoms.
DOI: 10.17188/1267409
title: Materials Data on Cs2Co(NO3)4 (SG: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: 10.17188/1267410
title: Materials Data on ErTaO4 (SG:15) 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: 10.17188/1267412
title: Materials Data on YCu2Bi2(SeO2)2 by Materials Project

description: Bi2YO4Cu2Se2 crystallizes in the tetragonal I4/mmm space group. The structure is two-dimensional and consists of two CuSe sheets oriented in the (0, 0, 1) direction and two Y(BiO2)2 sheets oriented in the (0, 0, 1) direction. In each CuSe sheet, Cu+1.50+ is bonded to four equivalent Se2- atoms to form a mixture of edge and corner-sharing CuSe4 tetrahedra. All Cu–Se bond lengths are 2.47 Å. Se2- is bonded in a 4-coordinate geometry to four equivalent Cu+1.50+ atoms. In each Y(BiO2)2 sheet, Y3+ is bonded in a body-centered cubic geometry to eight equivalent O2- atoms. All Y–O bond lengths are 2.40 Å. Bi3+ is bonded in a 4-coordinate geometry to four equivalent O2- atoms. All Bi–O bond lengths are 2.25 Å. O2- is bonded to two equivalent Y3+ and two equivalent Bi3+ atoms to form a mixture of edge and corner-sharing OY2Bi2 tetrahedra.
DOI: 10.17188/1267413
title: Materials Data on Rb4CO4 by Materials Project

description: Rb4CO4 crystallizes in the trigonal R3 space group. The structure is three-dimensional. there are two inequivalent Rb1+ sites. In the first Rb1+ site, Rb1+ is bonded in a 6-coordinate geometry to six equivalent O2- atoms. There are three shorter (2.67 Å) and three longer (3.53 Å) Rb–O bond lengths. In the second Rb1+ site, Rb1+ is bonded in a 6-coordinate geometry to six O2- atoms. There are a spread of Rb–O bond distances ranging from 2.66–3.59 Å. C4+ is bonded in a tetrahedral geometry to four O2- atoms. All C–O bond lengths are 1.45 Å. There are two inequivalent O2- sites. In the first O2- site, O2- is bonded in a single-bond geometry to six Rb1+ and one C4+ atom. In the second O2- site, O2- is bonded in a distorted single-bond geometry to six equivalent Rb1+ and one C4+ atom.
DOI: 10.17188/1267414
title: Materials Data on Li4CO4 by Materials Project

description: Li4CO4 crystallizes in the monoclinic C2 space group. The structure is three-dimensional. there are two inequivalent Li1+ sites. In the first Li1+ site, Li1+ is bonded in a 4-coordinate geometry to four O2- atoms. There are a spread of Li–O bond distances ranging from 1.95–2.09 Å. In the second Li1+ site, Li1+ is bonded in a distorted rectangular see-saw-like geometry to four O2- atoms. There are a spread of Li–O bond distances ranging from 1.88–2.15 Å. C4+ is bonded in a tetrahedral geometry to four O2- atoms. There is two shorter (1.41 Å) and two longer (1.43 Å) C–O bond length. There are two inequivalent O2- sites. In the first O2- site, O2- is bonded in a 5-coordinate geometry to four Li1+ and one C4+ atom. In the second O2- site, O2- is bonded in a 5-coordinate geometry to four Li1+ and one C4+ atom.
DOI: 10.17188/1267415
title: Materials Data on BaCO3 by Materials Project

description: BaCO3 crystallizes in the orthorhombic Pnma space group. The structure is three-dimensional. Ba2+ is bonded in a 9-coordinate geometry to nine O2- atoms. There are a spread of Ba–O bond distances ranging from 2.78–2.91 Å. C4+ is bonded in a trigonal planar geometry to three O2- atoms. All C–O bond lengths are 1.30 Å. There are two inequivalent O2- sites. In the first O2- site, O2- is bonded in a distorted single-bond geometry to three equivalent Ba2+ and one C4+ atom. In the second O2- site, O2- is bonded in a distorted single-bond geometry to three equivalent Ba2+ and one C4+ atom.
DOI: 10.17188/1267416
title: Materials Data on BeZnO2 by Materials Project

description: BeZnO2 is Chalcopyrite structured and crystallizes in the tetragonal I-42d space group. The structure is three-dimensional. Be2+ is bonded to four equivalent O2- atoms to form BeO4 tetrahedra that share corners with four equivalent BeO4 tetrahedra and corners with eight equivalent ZnO4 tetrahedra. All Be–O bond lengths are 1.67 Å. Zn2+ is bonded to four equivalent O2- atoms to form ZnO4 tetrahedra that share corners with four equivalent ZnO4 tetrahedra and corners with eight equivalent BeO4 tetrahedra. All Zn–O bond lengths are 2.00 Å. O2- is bonded to two equivalent Be2+ and two equivalent Zn2+ atoms to form distorted corner-sharing OBe2Zn2 tetrahedra.
DOI: 10.17188/1267417
title: Materials Data on V2CdO6 (SG:12) 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