cometadata/datacite-titles-descriptions-related-identifiers huggingface dataset:
DOI: 10.17188/1684272
title: Materials Data on Tb11(In3Ge2)2 by Materials Project

description: Tb11Ge4In6 crystallizes in the tetragonal I4/mmm space group. The structure is three-dimensional. there are four inequivalent Tb sites. In the first Tb site, Tb is bonded in a 7-coordinate geometry to four equivalent In and three Ge atoms. There are two shorter (3.38 Å) and two longer (3.46 Å) Tb–In bond lengths. There are a spread of Tb–Ge bond distances ranging from 3.09–3.24 Å. In the second Tb site, Tb is bonded in a 5-coordinate geometry to four In and three Ge atoms. There are two shorter (3.11 Å) and two longer (3.36 Å) Tb–In bond lengths. All Tb–Ge bond lengths are 3.02 Å. In the third Tb site, Tb is bonded in a 7-coordinate geometry to three In and four Ge atoms. There are one shorter (3.32 Å) and two longer (3.48 Å) Tb–In bond lengths. There are two shorter (2.84 Å) and two longer (3.36 Å) Tb–Ge bond lengths. In the fourth Tb site, Tb is bonded in a 9-coordinate geometry to eight In and one Ge atom. There are four shorter (3.37 Å) and four longer (3.45 Å) Tb–In bond lengths. The Tb–Ge bond length is 3.54 Å. There are two inequivalent In sites. In the first In site, In is bonded in a 10-coordinate geometry to eight Tb and two In atoms. There are one shorter (2.95 Å) and one longer (3.07 Å) In–In bond lengths. In the second In site, In is bonded in a 11-coordinate geometry to seven Tb and four In atoms. Both In–In bond lengths are 3.00 Å. There are three inequivalent Ge sites. In the first Ge site, Ge is bonded in a 8-coordinate geometry to eight Tb atoms. In the second Ge site, Ge is bonded in a 9-coordinate geometry to nine Tb atoms. In the third Ge site, Ge is bonded in a 8-coordinate geometry to eight Tb atoms.
DOI: 10.17188/1684273
title: Materials Data on FeCoPt2 by Materials Project

description: Pt2FeCo crystallizes in the tetragonal P4/mmm space group. The structure is three-dimensional. Fe2+ is bonded in a distorted body-centered cubic geometry to eight equivalent Pt2- atoms. All Fe–Pt bond lengths are 2.63 Å. Co2+ is bonded in a distorted body-centered cubic geometry to eight equivalent Pt2- atoms. All Co–Pt bond lengths are 2.63 Å. Pt2- is bonded to four equivalent Fe2+, four equivalent Co2+, and four equivalent Pt2- atoms to form a mixture of distorted corner, edge, and face-sharing PtFe4Co4Pt4 cuboctahedra. All Pt–Pt bond lengths are 2.67 Å.
DOI: 10.17188/1684274
title: Materials Data on Pu2SiO10 by Materials Project

description: Pu2SiO10 crystallizes in the tetragonal I4_1/amd space group. The structure is three-dimensional. Pu is bonded to seven O atoms to form distorted PuO7 pentagonal bipyramids that share corners with two equivalent SiO4 tetrahedra, edges with two equivalent PuO7 pentagonal bipyramids, and an edgeedge with one SiO4 tetrahedra. There are a spread of Pu–O bond distances ranging from 1.78–2.43 Å. Si is bonded to four equivalent O atoms to form SiO4 tetrahedra that share corners with four equivalent PuO7 pentagonal bipyramids and edges with two equivalent PuO7 pentagonal bipyramids. All Si–O bond lengths are 1.64 Å. There are three inequivalent O sites. In the first O site, O is bonded in a single-bond geometry to one Pu atom. In the second O site, O is bonded in a 1-coordinate geometry to two equivalent Pu and one Si atom. In the third O site, O is bonded in a single-bond geometry to one Pu atom.
DOI: 10.17188/1684275
title: Materials Data on Li2V3TeO8 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: 10.17188/1684276
title: Materials Data on Sr2ZnPb by Materials Project

description: Sr2ZnPb is Heusler structured and crystallizes in the cubic Fm-3m space group. The structure is three-dimensional. Sr is bonded in a body-centered cubic geometry to four equivalent Zn and four equivalent Pb atoms. All Sr–Zn bond lengths are 3.51 Å. All Sr–Pb bond lengths are 3.51 Å. Zn is bonded in a body-centered cubic geometry to eight equivalent Sr atoms. Pb is bonded in a body-centered cubic geometry to eight equivalent Sr atoms.
DOI: 10.17188/1684277
title: Materials Data on Te3H4(NO6)2 by Materials Project

description: (NO)2Te3(H2O5)2 crystallizes in the orthorhombic Fdd2 space group. The structure is three-dimensional and consists of sixteen nitroxyl molecules and one Te3(H2O5)2 framework. In the Te3(H2O5)2 framework, there are two inequivalent H1+ sites. In the first H1+ site, H1+ is bonded in a linear geometry to two O2- atoms. There is one shorter (1.03 Å) and one longer (1.54 Å) H–O bond length. In the second H1+ site, H1+ is bonded in a distorted linear geometry to two O2- atoms. There is one shorter (1.01 Å) and one longer (1.63 Å) H–O bond length. There are two inequivalent Te6+ sites. In the first Te6+ site, Te6+ is bonded in a rectangular see-saw-like geometry to four O2- atoms. There are a spread of Te–O bond distances ranging from 1.85–2.07 Å. In the second Te6+ site, Te6+ is bonded in an octahedral geometry to six O2- atoms. There are a spread of Te–O bond distances ranging from 1.94–1.97 Å. There are five inequivalent O2- sites. In the first O2- site, O2- is bonded in a distorted bent 150 degrees geometry to two Te6+ atoms. In the second O2- site, O2- is bonded in a distorted bent 120 degrees geometry to one H1+ and one Te6+ atom. In the third O2- site, O2- is bonded in a distorted bent 150 degrees geometry to two Te6+ atoms. In the fourth O2- site, O2- is bonded in a distorted trigonal planar geometry to two H1+ and one Te6+ atom. In the fifth O2- site, O2- is bonded in a distorted bent 120 degrees geometry to one H1+ and one Te6+ atom.
DOI: 10.17632/c37wsmwcvr.1
title: The Perturbed Rainfall Uncertainty Unit Hydrograph Method

description: The Unit Hydrograph (UH) theory can be used to estimate the discharge hydrograph of a basin based on precipitation and runoff measurements. However, uncertainty in those measurements may unable a unique UH to be derived. It is well known that in comparison with runoff measurements, the spatial and temporal variability of rainfall is the main source of uncertainty. Hence, in this work we present a method to derive an improved unique UH assuming that the rainfall data is the main source of uncertainty. The Perturbed Rainfall Uncertainty Unit Hydrograph (PeRUUH) method is verified using a large scale rainfall simulator (LSRS). The method combines linear programming and reverse modelling to generate a perturbed rainfall intensity pattern, which accounts for the temporal and spatial rainfall uncertainty assuming discharge to be true. The method is validated in three different rainfall events using the LSRS. The PeRUUH method is more robust than the original UH, as it is shown to be able to estimate a unique UH for which the discharges have an error of (approx.) 10 times smaller than its counterpart.
DOI: 10.17188/1684278
title: Materials Data on Cr8Fe3CuS16 by Materials Project

description: Cr8Fe3CuS16 is Spinel-derived structured and crystallizes in the tetragonal P-4m2 space group. The structure is three-dimensional. there are two inequivalent Cr3+ sites. In the first Cr3+ site, Cr3+ is bonded to six S2- atoms to form CrS6 octahedra that share a cornercorner with one CuS4 tetrahedra, corners with five FeS4 tetrahedra, and edges with six CrS6 octahedra. There are a spread of Cr–S bond distances ranging from 2.35–2.43 Å. In the second Cr3+ site, Cr3+ is bonded to six S2- atoms to form CrS6 octahedra that share corners with two equivalent CuS4 tetrahedra, corners with four FeS4 tetrahedra, and edges with six CrS6 octahedra. There are a spread of Cr–S bond distances ranging from 2.36–2.42 Å. There are two inequivalent Fe+2.33+ sites. In the first Fe+2.33+ site, Fe+2.33+ is bonded to four equivalent S2- atoms to form FeS4 tetrahedra that share corners with twelve CrS6 octahedra. The corner-sharing octahedra tilt angles range from 57–58°. All Fe–S bond lengths are 2.23 Å. In the second Fe+2.33+ site, Fe+2.33+ is bonded to four S2- atoms to form FeS4 tetrahedra that share corners with twelve CrS6 octahedra. The corner-sharing octahedra tilt angles range from 55–56°. All Fe–S bond lengths are 2.17 Å. Cu1+ is bonded to four equivalent S2- atoms to form CuS4 tetrahedra that share corners with twelve CrS6 octahedra. The corner-sharing octahedral tilt angles are 58°. All Cu–S bond lengths are 2.26 Å. There are four inequivalent S2- sites. In the first S2- site, S2- is bonded in a rectangular see-saw-like geometry to three equivalent Cr3+ and one Fe+2.33+ atom. In the second S2- site, S2- is bonded in a distorted rectangular see-saw-like geometry to three equivalent Cr3+ and one Fe+2.33+ atom. In the third S2- site, S2- is bonded in a distorted rectangular see-saw-like geometry to three Cr3+ and one Fe+2.33+ atom. In the fourth S2- site, S2- is bonded to three Cr3+ and one Cu1+ atom to form a mixture of distorted corner and edge-sharing SCr3Cu trigonal pyramids.
DOI: 10.17188/1684279
title: Materials Data on HfTeRu by Materials Project

description: HfRuTe is half-Heusler structured and crystallizes in the cubic F-43m space group. The structure is three-dimensional. Hf is bonded in a 4-coordinate geometry to six equivalent Ru and four equivalent Te atoms. All Hf–Ru bond lengths are 3.18 Å. All Hf–Te bond lengths are 2.76 Å. Ru is bonded in a distorted q6 geometry to six equivalent Hf and four equivalent Te atoms. All Ru–Te bond lengths are 2.76 Å. Te is bonded in a body-centered cubic geometry to four equivalent Hf and four equivalent Ru atoms.
DOI: 10.17188/1684280
title: Materials Data on SrCa3IrO6 by Materials Project

description: SrCa3IrO6 crystallizes in the monoclinic C2 space group. The structure is three-dimensional. Sr2+ is bonded in a 8-coordinate geometry to eight O2- atoms. There are a spread of Sr–O bond distances ranging from 2.50–2.79 Å. There are five inequivalent Ca2+ sites. In the first Ca2+ site, Ca2+ is bonded in a 6-coordinate geometry to six O2- atoms. There are a spread of Ca–O bond distances ranging from 2.32–2.37 Å. In the second Ca2+ site, Ca2+ is bonded to six O2- atoms to form distorted CaO6 pentagonal pyramids that share faces with two equivalent IrO6 octahedra. There are four shorter (2.35 Å) and two longer (2.36 Å) Ca–O bond lengths. In the third Ca2+ site, Ca2+ is bonded in a 8-coordinate geometry to eight O2- atoms. There are a spread of Ca–O bond distances ranging from 2.45–2.75 Å. In the fourth Ca2+ site, Ca2+ is bonded in a 8-coordinate geometry to eight O2- atoms. There are a spread of Ca–O bond distances ranging from 2.39–2.83 Å. In the fifth Ca2+ site, Ca2+ is bonded in a 8-coordinate geometry to eight O2- atoms. There are a spread of Ca–O bond distances ranging from 2.45–2.82 Å. Ir4+ is bonded to six O2- atoms to form IrO6 octahedra that share a faceface with one CaO6 pentagonal pyramid. There are a spread of Ir–O bond distances ranging from 2.03–2.08 Å. There are six inequivalent O2- sites. In the first O2- site, O2- is bonded in a 6-coordinate geometry to two equivalent Sr2+, three Ca2+, and one Ir4+ atom. In the second O2- site, O2- is bonded in a 6-coordinate geometry to one Sr2+, four Ca2+, and one Ir4+ atom. In the third O2- site, O2- is bonded to one Sr2+, four Ca2+, and one Ir4+ atom to form distorted OSrCa4Ir octahedra that share corners with five OSrCa4Ir octahedra, edges with four OSrCa4Ir octahedra, and a faceface with one OSr2Ca3Ir octahedra. The corner-sharing octahedra tilt angles range from 1–66°. In the fourth O2- site, O2- is bonded in a 6-coordinate geometry to one Sr2+, four Ca2+, and one Ir4+ atom. In the fifth O2- site, O2- is bonded to one Sr2+, four Ca2+, and one Ir4+ atom to form distorted OSrCa4Ir octahedra that share corners with four OSrCa4Ir octahedra, edges with four OSrCa4Ir octahedra, and faces with two equivalent OSr2Ca3Ir octahedra. The corner-sharing octahedra tilt angles range from 1–53°. In the sixth O2- site, O2- is bonded to two equivalent Sr2+, three Ca2+, and one Ir4+ atom to form a mixture of distorted corner and face-sharing OSr2Ca3Ir octahedra. The corner-sharing octahedra tilt angles range from 31–66°.
DOI: 10.17632/gpk4mt47z9.1
title: Ferroelectric energy harvest and storage cell - III

description: It is estimated that 71% of the energy generated for transportation is wasted, 66% is wasted in electricity, 20% is wasted in commercial and residential buildings, and 20% is wasted in industry or manufacturing. This wasted energy is primarily in the form of heat. Several solutions have been attempted and implemented to harvest the wasted heat such as those based on Thermoelectrics (TEs), Pyroelectrics (PEs), and Ferroelectrics (FEs). Nonetheless, the FEs are the most efficient active materials in devices working under the thermoelectric and pyroelectric principles. Herein, we show self-charge while discharging with a load. We point out that even if there is a gradient effect while using an air or argon blower, the same effect is observed at a constant temperature. The previous vídeos on this series (I and II) resulted from experiments with Zn/ferroelectric Na-glass composite/C+Cu. This experiment was performed with Zn/ferroelectric Li-glass composite/C+Cu.
DOI: 10.17188/1684281
title: Materials Data on Ba(CrN)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: 10.17632/h49fpprg6c.1
title: Avocado tree point clouds with class labels

description: LiDAR scans of 24 avocado trees from several years. Each point cloud has been annotated with two labels: one label for leaf (0) vs trunk (1) matter, and another for which tree each point belongs to: ground (0), center tree (1), north tree (2), south tree (3), uncategorised (4). Each point cloud is stored as a binary file with the following format (ui = 4-byte unsigned integer, d = 8-byte double): 3d,2ui,d Each line in the file has the fields: x,y,z,matter_label,tree_label,height XYZ is in North-East-Down orientation. The data was created in, and is easy to view using, ACFR comma/snark open-source tools (https://github.com/acfr/comma/wiki) Also included in the dataset is a list of trunk points in simple CSV format with tree IDs ; there are other trees in that list as well, but all trees represented in this dataset are in there.
DOI: 10.17188/1684282
title: Materials Data on BaCu3NiSe4 by Materials Project

description: BaNiCu3Se4 crystallizes in the cubic P-43m space group. The structure is three-dimensional. Ba2+ is bonded to four equivalent Se2- atoms to form BaSe4 tetrahedra that share corners with four equivalent NiSe4 tetrahedra and corners with twelve equivalent CuSe4 tetrahedra. All Ba–Se bond lengths are 3.03 Å. Ni2+ is bonded to four equivalent Se2- atoms to form NiSe4 tetrahedra that share corners with four equivalent BaSe4 tetrahedra and edges with six equivalent CuSe4 tetrahedra. All Ni–Se bond lengths are 2.30 Å. Cu+1.33+ is bonded to four equivalent Se2- atoms to form distorted CuSe4 tetrahedra that share corners with four equivalent BaSe4 tetrahedra, corners with eight equivalent CuSe4 tetrahedra, and edges with two equivalent NiSe4 tetrahedra. All Cu–Se bond lengths are 2.56 Å. Se2- is bonded to one Ba2+, one Ni2+, and three equivalent Cu+1.33+ atoms to form a mixture of distorted edge and corner-sharing SeBaCu3Ni trigonal bipyramids.
DOI: 10.17188/1684283
title: Materials Data on Fe10O9F11 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: 10.17632/wc2xk6mtjj.1
title: Trait correlation networks data

description: We hypothesis that traits do not evolve individually but rather are organised as modular networks of co-varying traits. By following the evolutionary dynamics of a model bacterium adapting to plant roots, we demonstrate that the whole structure of the trait-correlation network is highly dynamic.
DOI: 10.17188/1684284
title: Materials Data on Cd3Pd by Materials Project

description: PdCd3 is Uranium Silicide-like structured and crystallizes in the tetragonal I4/mmm space group. The structure is three-dimensional. Pd is bonded to twelve Cd atoms to form PdCd12 cuboctahedra that share corners with four equivalent PdCd12 cuboctahedra, edges with eight equivalent PdCd12 cuboctahedra, edges with sixteen equivalent CdCd8Pd4 cuboctahedra, faces with four equivalent PdCd12 cuboctahedra, and faces with eight equivalent CdCd8Pd4 cuboctahedra. There are four shorter (2.94 Å) and eight longer (3.06 Å) Pd–Cd bond lengths. There are two inequivalent Cd sites. In the first Cd site, Cd is bonded to four equivalent Pd and eight Cd atoms to form distorted CdCd8Pd4 cuboctahedra that share corners with twelve equivalent CdCd8Pd4 cuboctahedra, edges with eight equivalent PdCd12 cuboctahedra, edges with eight equivalent CdCd8Pd4 cuboctahedra, faces with four equivalent PdCd12 cuboctahedra, and faces with ten equivalent CdCd8Pd4 cuboctahedra. There are four shorter (2.94 Å) and four longer (3.06 Å) Cd–Cd bond lengths. In the second Cd site, Cd is bonded in a distorted square co-planar geometry to four equivalent Pd and eight equivalent Cd atoms.
DOI: 10.17188/1684285
title: Materials Data on ThUSb4 by Materials Project

description: UThSb4 crystallizes in the tetragonal P4mm space group. The structure is three-dimensional. U6+ is bonded in a 9-coordinate geometry to nine Sb+2.50- atoms. There are a spread of U–Sb bond distances ranging from 3.11–3.26 Å. Th4+ is bonded in a 9-coordinate geometry to nine Sb+2.50- atoms. There are a spread of Th–Sb bond distances ranging from 3.20–3.36 Å. There are three inequivalent Sb+2.50- sites. In the first Sb+2.50- site, Sb+2.50- is bonded in a 8-coordinate geometry to two equivalent U6+, two equivalent Th4+, and four equivalent Sb+2.50- atoms. All Sb–Sb bond lengths are 3.09 Å. In the second Sb+2.50- site, Sb+2.50- is bonded to four equivalent U6+ and one Th4+ atom to form distorted SbThU4 square pyramids that share corners with four equivalent SbThU4 square pyramids, edges with four equivalent SbThU4 square pyramids, and edges with four equivalent SbTh4U trigonal bipyramids. In the third Sb+2.50- site, Sb+2.50- is bonded to one U6+ and four equivalent Th4+ atoms to form distorted SbTh4U trigonal bipyramids that share corners with four equivalent SbTh4U trigonal bipyramids, edges with four equivalent SbThU4 square pyramids, and edges with four equivalent SbTh4U trigonal bipyramids.
DOI: 10.17188/1684286
title: Materials Data on Ca4Pt by Materials Project

description: Ca4Pt is Iron carbide-like structured and crystallizes in the cubic Fd-3m space group. The structure is zero-dimensional and consists of eight Ca4Pt clusters. Ca is bonded in a single-bond geometry to one Pt atom. The Ca–Pt bond length is 2.69 Å. Pt is bonded in a tetrahedral geometry to four equivalent Ca atoms.
DOI: 10.17188/1684287
title: Materials Data on BaYFe4O7 by Materials Project

description: YBaFe4O7.0 crystallizes in the tetragonal I-4 space group. The structure is three-dimensional. Ba2+ is bonded in a 8-coordinate geometry to eight O2- atoms. There are four shorter (2.75 Å) and four longer (3.17 Å) Ba–O bond lengths. Y3+ is bonded to six O2- atoms to form YO6 octahedra that share corners with twelve equivalent FeO4 tetrahedra. All Y–O bond lengths are 2.30 Å. Fe+2.25+ is bonded to four O2- atoms to form FeO4 tetrahedra that share corners with three equivalent YO6 octahedra and corners with six equivalent FeO4 tetrahedra. The corner-sharing octahedra tilt angles range from 50–66°. There are a spread of Fe–O bond distances ranging from 1.97–2.05 Å. There are three inequivalent O2- sites. In the first O2- site, O2- is bonded in a 4-coordinate geometry to one Ba2+, one Y3+, and two equivalent Fe+2.25+ atoms. In the second O2- site, O2- is bonded in a 3-coordinate geometry to two equivalent Ba2+, one Y3+, and two equivalent Fe+2.25+ atoms. In the third O2- site, O2- is bonded in a tetrahedral geometry to four equivalent Fe+2.25+ atoms.
DOI: 10.17632/d4mpp3r8x3.1
title: Orofacial cleft characterization CHOP vs SFG

description: Surgical information and LAHSHAL cleft severity scores gathered retrospectively from 514 patients with isolated orofacial cleft at the Children’s Hospital of Philadelphia scheduled for surgery between 2012 to 2019, and prospectively from 115 patients with isolated orofacial cleft presenting to four one-week-long itinerant surgical missions to Guatemala City between 2017 and 2020.
DOI: 10.17188/1684288
title: Materials Data on ZrInNi2 by Materials Project

description: ZrNi2In crystallizes in the tetragonal P4/mmm space group. The structure is three-dimensional. Zr is bonded in a distorted body-centered cubic geometry to eight equivalent Ni and two equivalent In atoms. All Zr–Ni bond lengths are 2.71 Å. Both Zr–In bond lengths are 3.08 Å. Ni is bonded in a 8-coordinate geometry to four equivalent Zr and four equivalent In atoms. All Ni–In bond lengths are 2.84 Å. In is bonded in a 10-coordinate geometry to two equivalent Zr and eight equivalent Ni atoms.
DOI: 10.17632/2zfwxw2z2f.2
title: Data for: Are the purchase prices of solar energy projects under development consistent with cost of capital forecasts?

description: We compile return data for all stocks listed on the Madrid Stock Exchange (MSE) and the London Stock Exchange (LSE) from the Datastream database, for the period from January 1989 to December 2018. Specifically, we compile the following data series: (i) total return index (RI series), (ii) market value (MV series), and (iii) dividend yield (DY series). Accordingly, our data series comprise 398 and 4,385 stocks for Spain and UK, respectively. Using these data, we determine the value-weighted market return and the value-weighted dividend yield for the period under consideration. Additionally, we compile one-year Treasury Bill rates data for Spain and UK, respectively, as provided by the OECD Statistics section. Therefore, the dataset comprises the following series: 1 Spain_returns_DY_M.txt: Monthly returns for the value-weighted market portfolio of the MSE and the utility firms Endesa, S.A. and Iberdrola, S.A. These data series also include the value-weighted dividend yield for the MSE. (Raw data source: Datastream database) 2 UK_returns_DY_M.txt: Monthly returns for the value-weighted market portfolio of the LSE and solar funds Foresight Solar Fund Ltd. and Bluefield Solar Income Fund Ltd. These data series also include the value-weighted dividend yield for the LSE. (Raw data source: Datastream database) 3 Spain_UK_RF_Y.txt: One-year Treasury Bill rates for Spain and UK. (Raw data source: OECD)
DOI: 10.17188/1684289
title: Materials Data on Lu(Ni2As)2 by Materials Project

description: Lu(Ni2As)2 crystallizes in the tetragonal P4_2/mnm space group. The structure is three-dimensional. Lu is bonded to six equivalent As atoms to form a mixture of distorted edge and corner-sharing LuAs6 octahedra. The corner-sharing octahedral tilt angles are 40°. There are two shorter (2.88 Å) and four longer (2.90 Å) Lu–As bond lengths. Ni is bonded in a 3-coordinate geometry to three equivalent As atoms. There are two shorter (2.38 Å) and one longer (2.39 Å) Ni–As bond lengths. As is bonded in a 9-coordinate geometry to three equivalent Lu and six equivalent Ni atoms.