cometadata/datacite-titles-descriptions-related-identifiers huggingface dataset:
DOI: 10.17188/1350267
title: Materials Data on NpSeO by Materials Project

description: NpOSe is Matlockite structured and crystallizes in the tetragonal P4/nmm space group. The structure is three-dimensional. Np4+ is bonded in a 9-coordinate geometry to five equivalent Se2- and four equivalent O2- atoms. There are four shorter (3.05 Å) and one longer (3.14 Å) Np–Se bond lengths. All Np–O bond lengths are 2.32 Å. Se2- is bonded in a 5-coordinate geometry to five equivalent Np4+ atoms. O2- is bonded to four equivalent Np4+ atoms to form a mixture of edge and corner-sharing ONp4 tetrahedra.
DOI: 10.17188/1350268
title: Materials Data on NdPbAu by Materials Project

description: NdAuPb is hexagonal omega structure-derived structured and crystallizes in the hexagonal P6_3/mmc space group. The structure is three-dimensional. Nd is bonded to six equivalent Au and six equivalent Pb atoms to form a mixture of edge and face-sharing NdPb6Au6 cuboctahedra. All Nd–Au bond lengths are 3.42 Å. All Nd–Pb bond lengths are 3.42 Å. Au is bonded in a 9-coordinate geometry to six equivalent Nd and three equivalent Pb atoms. All Au–Pb bond lengths are 2.83 Å. Pb is bonded in a 9-coordinate geometry to six equivalent Nd and three equivalent Au atoms.
DOI: 10.17188/1350269
title: Materials Data on ErS2 by Materials Project

description: ErS2 crystallizes in the tetragonal P4/nmm space group. The structure is three-dimensional. Er3+ is bonded in a 9-coordinate geometry to nine S+1.50- atoms. There are five shorter (2.81 Å) and four longer (2.88 Å) Er–S bond lengths. There are two inequivalent S+1.50- sites. In the first S+1.50- site, S+1.50- is bonded to five equivalent Er3+ atoms to form a mixture of distorted corner and edge-sharing SEr5 trigonal bipyramids. In the second S+1.50- site, S+1.50- is bonded in a 8-coordinate geometry to four equivalent Er3+ and four equivalent S+1.50- atoms. All S–S bond lengths are 2.71 Å.
DOI: 10.17188/1350270
title: Materials Data on OsC2 by Materials Project

description: OsC2 crystallizes in the hexagonal P6_3/mmc space group. The structure is two-dimensional and consists of two OsC2 sheets oriented in the (0, 0, 1) direction. Os2- is bonded to six equivalent C1+ atoms to form distorted edge-sharing OsC6 pentagonal pyramids. All Os–C bond lengths are 2.10 Å. C1+ is bonded in a 3-coordinate geometry to three equivalent Os2- atoms.
DOI: 10.17188/1350271
title: Materials Data on KMgAs by Materials Project

description: KMgAs is Matlockite structured and crystallizes in the tetragonal P4/nmm space group. The structure is three-dimensional. K1+ is bonded in a 5-coordinate geometry to five equivalent As3- atoms. There are four shorter (3.48 Å) and one longer (3.54 Å) K–As bond lengths. Mg2+ is bonded to four equivalent As3- atoms to form a mixture of edge and corner-sharing MgAs4 tetrahedra. All Mg–As bond lengths are 2.74 Å. As3- is bonded in a 9-coordinate geometry to five equivalent K1+ and four equivalent Mg2+ atoms.
DOI: 10.17188/1350272
title: Materials Data on MnGaGe by Materials Project

description: MnGaGe is Matlockite structured and crystallizes in the tetragonal P4/nmm space group. The structure is three-dimensional. Mn is bonded in a distorted body-centered cubic geometry to four equivalent Ga and four equivalent Ge atoms. All Mn–Ga bond lengths are 2.64 Å. All Mn–Ge bond lengths are 2.58 Å. Ga is bonded in a 9-coordinate geometry to four equivalent Mn and five equivalent Ge atoms. There are one shorter (2.50 Å) and four longer (2.79 Å) Ga–Ge bond lengths. Ge is bonded in a 9-coordinate geometry to four equivalent Mn and five equivalent Ga atoms.
DOI: 10.17188/1350273
title: Materials Data on CN2 by Materials Project

description: CN2 is Hittorf-derived structured and crystallizes in the trigonal P-3m1 space group. The structure is two-dimensional and consists of two CN sheets oriented in the (0, 0, 1) direction and one N2 sheet oriented in the (0, 0, 1) direction. In each CN sheet, C4+ is bonded in a trigonal non-coplanar geometry to three equivalent N2- atoms. All C–N bond lengths are 1.46 Å. N2- is bonded in a trigonal non-coplanar geometry to three equivalent C4+ atoms. In the N2 sheet, N2- is bonded in a distorted trigonal non-coplanar geometry to three equivalent N2- atoms. All N–N bond lengths are 1.54 Å.
DOI: 10.17188/1350274
title: Materials Data on ErZnGa by Materials Project

description: ErZnGa crystallizes in the hexagonal P6_3mc space group. The structure is three-dimensional. Er is bonded in a 12-coordinate geometry to six equivalent Zn and six equivalent Ga atoms. There are three shorter (2.96 Å) and three longer (3.25 Å) Er–Zn bond lengths. There are three shorter (2.98 Å) and three longer (3.23 Å) Er–Ga bond lengths. Zn is bonded in a 10-coordinate geometry to six equivalent Er and four equivalent Ga atoms. There are three shorter (2.59 Å) and one longer (3.06 Å) Zn–Ga bond lengths. Ga is bonded in a 10-coordinate geometry to six equivalent Er and four equivalent Zn atoms.
DOI: 10.17188/1350275
title: Materials Data on Tm3AlN by Materials Project

description: Tm3AlN is (Cubic) Perovskite structured and crystallizes in the cubic Pm-3m space group. The structure is three-dimensional. Tm is bonded in a linear geometry to four equivalent Al and two equivalent N atoms. All Tm–Al bond lengths are 3.31 Å. Both Tm–N bond lengths are 2.34 Å. Al is bonded to twelve equivalent Tm atoms to form AlTm12 cuboctahedra that share corners with twelve equivalent AlTm12 cuboctahedra, faces with six equivalent AlTm12 cuboctahedra, and faces with eight equivalent NTm6 octahedra. N is bonded to six equivalent Tm atoms to form NTm6 octahedra that share corners with six equivalent NTm6 octahedra and faces with eight equivalent AlTm12 cuboctahedra. The corner-sharing octahedral tilt angles are 0°.
DOI: 10.17188/1350276
title: Materials Data on OsN by Materials Project

description: OsN crystallizes in the cubic Pm-3m space group. The structure is three-dimensional. Os3+ is bonded in a square co-planar geometry to four equivalent N3- atoms. All Os–N bond lengths are 2.03 Å. N3- is bonded in a square co-planar geometry to four equivalent Os3+ atoms.
DOI: 10.17188/1350277
title: Materials Data on LaBPt3 by Materials Project

description: LaPt3B is (Cubic) Perovskite structured and crystallizes in the cubic Pm-3m space group. The structure is three-dimensional. La3+ is bonded to twelve equivalent Pt2- atoms to form LaPt12 cuboctahedra that share corners with twelve equivalent LaPt12 cuboctahedra, faces with six equivalent LaPt12 cuboctahedra, and faces with eight equivalent BPt6 octahedra. All La–Pt bond lengths are 3.13 Å. Pt2- is bonded to four equivalent La3+ and two equivalent B3+ atoms to form a mixture of distorted edge, face, and corner-sharing PtLa4B2 octahedra. The corner-sharing octahedra tilt angles range from 0–60°. Both Pt–B bond lengths are 2.22 Å. B3+ is bonded to six equivalent Pt2- atoms to form BPt6 octahedra that share corners with six equivalent BPt6 octahedra and faces with eight equivalent LaPt12 cuboctahedra. The corner-sharing octahedral tilt angles are 0°.
DOI: 10.17188/1350278
title: Materials Data on YbH3Pd by Materials Project

description: YbPdH3 is (Cubic) Perovskite structured and crystallizes in the cubic Pm-3m space group. The structure is three-dimensional. Yb is bonded to twelve equivalent H atoms to form YbH12 cuboctahedra that share corners with twelve equivalent YbH12 cuboctahedra, faces with six equivalent YbH12 cuboctahedra, and faces with eight equivalent PdH6 octahedra. All Yb–H bond lengths are 2.62 Å. Pd is bonded to six equivalent H atoms to form PdH6 octahedra that share corners with six equivalent PdH6 octahedra and faces with eight equivalent YbH12 cuboctahedra. The corner-sharing octahedral tilt angles are 0°. All Pd–H bond lengths are 1.85 Å. H is bonded to four equivalent Yb and two equivalent Pd atoms to form a mixture of face, edge, and corner-sharing HYb4Pd2 octahedra. The corner-sharing octahedra tilt angles range from 0–60°.
DOI: 10.17188/1350280
title: Materials Data on ScPd3C by Materials Project

description: ScPd3C is (Cubic) Perovskite structured and crystallizes in the cubic Pm-3m space group. The structure is three-dimensional. Sc is bonded to twelve equivalent Pd atoms to form ScPd12 cuboctahedra that share corners with twelve equivalent ScPd12 cuboctahedra, faces with six equivalent ScPd12 cuboctahedra, and faces with eight equivalent CPd6 octahedra. All Sc–Pd bond lengths are 2.98 Å. Pd is bonded in a distorted linear geometry to four equivalent Sc and two equivalent C atoms. Both Pd–C bond lengths are 2.11 Å. C is bonded to six equivalent Pd atoms to form CPd6 octahedra that share corners with six equivalent CPd6 octahedra and faces with eight equivalent ScPd12 cuboctahedra. The corner-sharing octahedral tilt angles are 0°.
DOI: 10.17188/1350281
title: Materials Data on GdSe2 by Materials Project

description: GdSe2 crystallizes in the tetragonal P4/nmm space group. The structure is three-dimensional. Gd3+ is bonded in a 9-coordinate geometry to nine Se+1.50- atoms. There are a spread of Gd–Se bond distances ranging from 3.00–3.09 Å. There are two inequivalent Se+1.50- sites. In the first Se+1.50- site, Se+1.50- is bonded in a 8-coordinate geometry to four equivalent Gd3+ and four equivalent Se+1.50- atoms. All Se–Se bond lengths are 2.89 Å. In the second Se+1.50- site, Se+1.50- is bonded to five equivalent Gd3+ atoms to form a mixture of distorted edge and corner-sharing SeGd5 trigonal bipyramids.
DOI: 10.17188/1350282
title: Materials Data on BaMgSn by Materials Project

description: BaMgSn is Matlockite structured and crystallizes in the tetragonal P4/nmm space group. The structure is three-dimensional. Ba is bonded to four equivalent Ba, four equivalent Mg, and four equivalent Sn atoms to form a mixture of distorted corner and face-sharing BaBa4Mg4Sn4 cuboctahedra. All Ba–Ba bond lengths are 3.54 Å. All Ba–Mg bond lengths are 3.93 Å. All Ba–Sn bond lengths are 3.58 Å. Mg is bonded in a single-bond geometry to four equivalent Ba and one Sn atom. The Mg–Sn bond length is 2.85 Å. Sn is bonded in a 1-coordinate geometry to four equivalent Ba and one Mg atom.
DOI: 10.17188/1350283
title: Materials Data on CaBiAu by Materials Project

description: CaAuBi crystallizes in the hexagonal P6_3mc space group. The structure is three-dimensional. Ca is bonded in a 3-coordinate geometry to three equivalent Au and six equivalent Bi atoms. All Ca–Au bond lengths are 3.13 Å. There are three shorter (3.32 Å) and three longer (3.56 Å) Ca–Bi bond lengths. Au is bonded in a 7-coordinate geometry to three equivalent Ca and four equivalent Bi atoms. There are three shorter (2.92 Å) and one longer (3.15 Å) Au–Bi bond lengths. Bi is bonded in a 10-coordinate geometry to six equivalent Ca and four equivalent Au atoms.
DOI: 10.17188/1350284
title: Materials Data on SmSbPd by Materials Project

description: SmPdSb is hexagonal omega structure-derived structured and crystallizes in the hexagonal P6_3/mmc space group. The structure is three-dimensional. Sm is bonded to six equivalent Pd and six equivalent Sb atoms to form a mixture of face and edge-sharing SmSb6Pd6 cuboctahedra. All Sm–Pd bond lengths are 3.30 Å. All Sm–Sb bond lengths are 3.30 Å. Pd is bonded in a 9-coordinate geometry to six equivalent Sm and three equivalent Sb atoms. All Pd–Sb bond lengths are 2.65 Å. Sb is bonded in a 9-coordinate geometry to six equivalent Sm and three equivalent Pd atoms.
DOI: 10.17188/1350285
title: Materials Data on PaP2 by Materials Project

description: PaP2 crystallizes in the tetragonal P4/nmm space group. The structure is three-dimensional. Pa4+ is bonded in a 9-coordinate geometry to nine P2- atoms. There are a spread of Pa–P bond distances ranging from 2.80–2.92 Å. There are two inequivalent P2- sites. In the first P2- site, P2- is bonded to five equivalent Pa4+ atoms to form a mixture of distorted edge and corner-sharing PPa5 trigonal bipyramids. In the second P2- site, P2- is bonded in a 8-coordinate geometry to four equivalent Pa4+ and four equivalent P2- atoms. All P–P bond lengths are 2.73 Å.
DOI: 10.17188/1350286
title: Materials Data on Re2N by Materials Project

description: Re2N is Molybdenite structured and crystallizes in the hexagonal P6_3/mmc space group. The structure is two-dimensional and consists of two Re2N sheets oriented in the (0, 0, 1) direction. Re is bonded in a 3-coordinate geometry to three equivalent N atoms. All Re–N bond lengths are 2.18 Å. N is bonded to six equivalent Re atoms to form distorted edge-sharing NRe6 pentagonal pyramids.
DOI: 10.17188/1350287
title: Materials Data on Li3CeBi2 by Materials Project

description: Li3CeBi2 crystallizes in the trigonal P-3m1 space group. The structure is three-dimensional. there are two inequivalent Li sites. In the first Li site, Li is bonded to three equivalent Li and four equivalent Bi atoms to form distorted LiLi3Bi4 tetrahedra that share corners with three equivalent CeLi2Bi6 octahedra, corners with three equivalent LiLi3Bi4 tetrahedra, edges with three equivalent CeLi2Bi6 octahedra, edges with six equivalent LiLi3Bi4 tetrahedra, faces with three equivalent CeLi2Bi6 octahedra, and faces with three equivalent LiLi3Bi4 tetrahedra. The corner-sharing octahedral tilt angles are 20°. All Li–Li bond lengths are 2.95 Å. There are three shorter (2.83 Å) and one longer (2.98 Å) Li–Bi bond lengths. In the second Li site, Li is bonded in a 12-coordinate geometry to six equivalent Li, two equivalent Ce, and six equivalent Bi atoms. Both Li–Ce bond lengths are 3.75 Å. All Li–Bi bond lengths are 3.30 Å. Ce is bonded to two equivalent Li and six equivalent Bi atoms to form CeLi2Bi6 octahedra that share corners with two equivalent CeLi2Bi6 octahedra, corners with six equivalent LiLi3Bi4 tetrahedra, edges with six equivalent CeLi2Bi6 octahedra, edges with six equivalent LiLi3Bi4 tetrahedra, and faces with six equivalent LiLi3Bi4 tetrahedra. The corner-sharing octahedral tilt angles are 0°. All Ce–Bi bond lengths are 3.32 Å. Bi is bonded in a 10-coordinate geometry to seven Li and three equivalent Ce atoms.
DOI: 10.17188/1350288
title: Materials Data on IrN2 by Materials Project

description: IrN2 is Corundum-like structured and crystallizes in the hexagonal P6_3/mmc space group. The structure is three-dimensional. Ir4+ is bonded to six equivalent N2- atoms to form distorted edge-sharing IrN6 pentagonal pyramids. All Ir–N bond lengths are 2.18 Å. N2- is bonded in a distorted rectangular see-saw-like geometry to three equivalent Ir4+ and one N2- atom. The N–N bond length is 1.25 Å.
DOI: 10.17188/1350289
title: Materials Data on EuZnGe by Materials Project

description: EuZnGe crystallizes in the orthorhombic Pmma space group. The structure is three-dimensional. Eu is bonded to six equivalent Zn and six equivalent Ge atoms to form a mixture of edge and face-sharing EuZn6Ge6 cuboctahedra. All Eu–Zn bond lengths are 3.41 Å. There are four shorter (3.26 Å) and two longer (3.31 Å) Eu–Ge bond lengths. Zn is bonded in a 1-coordinate geometry to six equivalent Eu, two equivalent Zn, and one Ge atom. Both Zn–Zn bond lengths are 2.45 Å. The Zn–Ge bond length is 2.51 Å. Ge is bonded in a 1-coordinate geometry to six equivalent Eu, one Zn, and two equivalent Ge atoms. Both Ge–Ge bond lengths are 2.59 Å.
DOI: 10.17188/1350290
title: Materials Data on CeSbPd by Materials Project

description: CePdSb is hexagonal omega structure-derived structured and crystallizes in the hexagonal P6_3/mmc space group. The structure is three-dimensional. Ce is bonded to six equivalent Pd and six equivalent Sb atoms to form a mixture of edge and face-sharing CeSb6Pd6 cuboctahedra. All Ce–Pd bond lengths are 3.32 Å. All Ce–Sb bond lengths are 3.32 Å. Pd is bonded in a 9-coordinate geometry to six equivalent Ce and three equivalent Sb atoms. All Pd–Sb bond lengths are 2.67 Å. Sb is bonded in a 9-coordinate geometry to six equivalent Ce and three equivalent Pd atoms.
DOI: 10.17188/1350291
title: Materials Data on Dy(CuS)2 by Materials Project

description: Dy(CuS)2 crystallizes in the trigonal P-3m1 space group. The structure is three-dimensional. Dy is bonded to six equivalent S atoms to form distorted DyS6 octahedra that share corners with twelve equivalent CuS4 tetrahedra, edges with six equivalent DyS6 octahedra, and edges with six equivalent CuS4 tetrahedra. All Dy–S bond lengths are 2.84 Å. Cu is bonded to four equivalent S atoms to form distorted CuS4 tetrahedra that share corners with six equivalent DyS6 octahedra, corners with six equivalent CuS4 tetrahedra, edges with three equivalent DyS6 octahedra, and edges with three equivalent CuS4 tetrahedra. The corner-sharing octahedra tilt angles range from 25–53°. There are three shorter (2.33 Å) and one longer (2.51 Å) Cu–S bond lengths. S is bonded in a 7-coordinate geometry to three equivalent Dy and four equivalent Cu atoms.
DOI: 10.17188/1350292
title: Materials Data on Li3PrSb2 by Materials Project

description: PrLi3Sb2 crystallizes in the trigonal P-3m1 space group. The structure is three-dimensional. there are two inequivalent Li1+ sites. In the first Li1+ site, Li1+ is bonded to four equivalent Sb3- atoms to form LiSb4 tetrahedra that share corners with three equivalent LiSb6 octahedra, corners with six equivalent PrSb6 octahedra, corners with six equivalent LiSb4 tetrahedra, edges with three equivalent PrSb6 octahedra, edges with three equivalent LiSb4 tetrahedra, and faces with three equivalent LiSb6 octahedra. The corner-sharing octahedra tilt angles range from 20–55°. There are three shorter (2.76 Å) and one longer (2.88 Å) Li–Sb bond lengths. In the second Li1+ site, Li1+ is bonded to six equivalent Sb3- atoms to form LiSb6 octahedra that share corners with twelve equivalent PrSb6 octahedra, corners with six equivalent LiSb4 tetrahedra, edges with six equivalent LiSb6 octahedra, faces with two equivalent PrSb6 octahedra, and faces with six equivalent LiSb4 tetrahedra. The corner-sharing octahedral tilt angles are 49°. All Li–Sb bond lengths are 3.22 Å. Pr3+ is bonded to six equivalent Sb3- atoms to form PrSb6 octahedra that share corners with twelve equivalent LiSb6 octahedra, corners with twelve equivalent LiSb4 tetrahedra, edges with six equivalent PrSb6 octahedra, edges with six equivalent LiSb4 tetrahedra, and faces with two equivalent LiSb6 octahedra. The corner-sharing octahedral tilt angles are 49°. All Pr–Sb bond lengths are 3.27 Å. Sb3- is bonded in a 10-coordinate geometry to seven Li1+ and three equivalent Pr3+ atoms.
DOI: 10.17188/1350293
title: Materials Data on EuZnGe by Materials Project

description: EuZnGe is hexagonal omega structure-derived structured and crystallizes in the hexagonal P6/mmm space group. The structure is three-dimensional. Eu is bonded to six equivalent Zn and six equivalent Ge atoms to form a mixture of edge and face-sharing EuZn6Ge6 cuboctahedra. All Eu–Zn bond lengths are 3.32 Å. All Eu–Ge bond lengths are 3.33 Å. Zn is bonded in a 9-coordinate geometry to six equivalent Eu and three equivalent Zn atoms. All Zn–Zn bond lengths are 2.56 Å. Ge is bonded in a 9-coordinate geometry to six equivalent Eu and three equivalent Ge atoms. All Ge–Ge bond lengths are 2.56 Å.
DOI: 10.17188/1350294
title: Materials Data on GdCuPb by Materials Project

description: GdCuPb is hexagonal omega structure-derived structured and crystallizes in the hexagonal P6_3/mmc space group. The structure is three-dimensional. Gd is bonded to six equivalent Cu and six equivalent Pb atoms to form a mixture of edge and face-sharing GdCu6Pb6 cuboctahedra. All Gd–Cu bond lengths are 3.27 Å. All Gd–Pb bond lengths are 3.27 Å. Cu is bonded in a 3-coordinate geometry to six equivalent Gd and three equivalent Pb atoms. All Cu–Pb bond lengths are 2.69 Å. Pb is bonded in a 3-coordinate geometry to six equivalent Gd and three equivalent Cu atoms.
DOI: 10.17188/1350295
title: Materials Data on HoCo3Cu2 by Materials Project

description: HoCo3Cu2 crystallizes in the hexagonal P6/mmm space group. The structure is three-dimensional. Ho is bonded in a distorted hexagonal planar geometry to twelve equivalent Co and six equivalent Cu atoms. All Ho–Co bond lengths are 3.18 Å. All Ho–Cu bond lengths are 2.82 Å. Co is bonded to four equivalent Ho, four equivalent Co, and four equivalent Cu atoms to form CoHo4Co4Cu4 cuboctahedra that share corners with eight equivalent CuHo3Co6 cuboctahedra, corners with sixteen equivalent CoHo4Co4Cu4 cuboctahedra, edges with eight equivalent CuHo3Co6 cuboctahedra, edges with ten equivalent CoHo4Co4Cu4 cuboctahedra, faces with four equivalent CuHo3Co6 cuboctahedra, and faces with ten equivalent CoHo4Co4Cu4 cuboctahedra. All Co–Co bond lengths are 2.44 Å. All Co–Cu bond lengths are 2.47 Å. Cu is bonded to three equivalent Ho and six equivalent Co atoms to form distorted CuHo3Co6 cuboctahedra that share corners with twelve equivalent CoHo4Co4Cu4 cuboctahedra, corners with fifteen equivalent CuHo3Co6 cuboctahedra, edges with twelve equivalent CoHo4Co4Cu4 cuboctahedra, faces with five equivalent CuHo3Co6 cuboctahedra, and faces with six equivalent CoHo4Co4Cu4 cuboctahedra.
DOI: 10.17188/1350296
title: Materials Data on CeO2 by Materials Project

description: CeO2 is Hydrophilite-like structured and crystallizes in the tetragonal P4_2/mnm space group. The structure is three-dimensional. Ce4+ is bonded to six equivalent O2- atoms to form a mixture of edge and corner-sharing CeO6 octahedra. The corner-sharing octahedral tilt angles are 53°. All Ce–O bond lengths are 2.27 Å. O2- is bonded in a trigonal planar geometry to three equivalent Ce4+ atoms.
DOI: 10.17188/1350297
title: Materials Data on RbMnBi by Materials Project

description: RbMnBi is Matlockite structured and crystallizes in the tetragonal P4/nmm space group. The structure is three-dimensional. Rb is bonded in a 4-coordinate geometry to four equivalent Mn and five equivalent Bi atoms. All Rb–Mn bond lengths are 3.89 Å. There are four shorter (3.73 Å) and one longer (4.20 Å) Rb–Bi bond lengths. Mn is bonded to four equivalent Rb and four equivalent Bi atoms to form a mixture of distorted edge and face-sharing MnRb4Bi4 tetrahedra. All Mn–Bi bond lengths are 2.91 Å. Bi is bonded in a 9-coordinate geometry to five equivalent Rb and four equivalent Mn atoms.
DOI: 10.17188/1350298
title: Materials Data on CaCoSi by Materials Project

description: CaCoSi is Matlockite structured and crystallizes in the tetragonal P4/nmm space group. The structure is two-dimensional and consists of one CaCoSi sheet oriented in the (0, 0, 1) direction. Ca2+ is bonded in a 4-coordinate geometry to four equivalent Si4- atoms. All Ca–Si bond lengths are 3.01 Å. Co2+ is bonded to four equivalent Si4- atoms to form a mixture of edge and corner-sharing CoSi4 tetrahedra. All Co–Si bond lengths are 2.31 Å. Si4- is bonded in a 8-coordinate geometry to four equivalent Ca2+ and four equivalent Co2+ atoms.
DOI: 10.17188/1350299
title: Materials Data on Mg2Ge by Materials Project

description: Mg2Ge crystallizes in the hexagonal P6_3/mmc space group. The structure is three-dimensional. there are two inequivalent Mg sites. In the first Mg site, Mg is bonded in a 6-coordinate geometry to eight Mg and six equivalent Ge atoms. There are two shorter (3.05 Å) and six longer (3.13 Å) Mg–Mg bond lengths. All Mg–Ge bond lengths are 3.13 Å. In the second Mg site, Mg is bonded to six equivalent Mg and five equivalent Ge atoms to form a mixture of distorted corner and face-sharing MgMg6Ge5 trigonal bipyramids. There are three shorter (2.73 Å) and two longer (3.05 Å) Mg–Ge bond lengths. Ge is bonded in a 11-coordinate geometry to eleven Mg atoms.
DOI: 10.34740/kaggle/dsv/1897478
title: CEEC Mexico - Academic Profesionals