cometadata/datacite-titles-descriptions-related-identifiers huggingface dataset:
DOI: 10.17188/1695400
title: Materials Data on CaMg by Materials Project

description: MgCa crystallizes in the monoclinic Cm space group. The structure is three-dimensional. there are three inequivalent Ca sites. In the first Ca site, Ca is bonded to five Ca and five Mg atoms to form distorted CaCa5Mg5 cuboctahedra that share corners with twelve CaCa5Mg5 cuboctahedra, an edgeedge with one CaCa5Mg7 cuboctahedra, and faces with five CaCa5Mg5 cuboctahedra. There are a spread of Ca–Ca bond distances ranging from 3.58–3.85 Å. There are a spread of Ca–Mg bond distances ranging from 3.44–3.48 Å. In the second Ca site, Ca is bonded in a 12-coordinate geometry to six Ca and six Mg atoms. There are two shorter (3.58 Å) and one longer (3.82 Å) Ca–Ca bond lengths. There are a spread of Ca–Mg bond distances ranging from 3.49–3.71 Å. In the third Ca site, Ca is bonded to five Ca and seven Mg atoms to form a mixture of distorted corner, edge, and face-sharing CaCa5Mg7 cuboctahedra. Both Ca–Ca bond lengths are 3.58 Å. There are a spread of Ca–Mg bond distances ranging from 3.40–3.84 Å. There are three inequivalent Mg sites. In the first Mg site, Mg is bonded in a 12-coordinate geometry to seven Ca and three Mg atoms. There are one shorter (3.21 Å) and two longer (3.34 Å) Mg–Mg bond lengths. In the second Mg site, Mg is bonded in a 9-coordinate geometry to six Ca and three Mg atoms. Both Mg–Mg bond lengths are 3.31 Å. In the third Mg site, Mg is bonded in a 9-coordinate geometry to five Ca and four Mg atoms.
DOI: 10.17188/1695401
title: Materials Data on Tm(Al5Fe)2 by Materials Project

description: Tm(FeAl5)2 crystallizes in the orthorhombic Cmcm space group. The structure is three-dimensional. Tm is bonded in a 10-coordinate geometry to four equivalent Fe and sixteen Al atoms. All Tm–Fe bond lengths are 3.40 Å. There are a spread of Tm–Al bond distances ranging from 3.10–3.63 Å. Fe is bonded in a 10-coordinate geometry to two equivalent Tm and ten Al atoms. There are a spread of Fe–Al bond distances ranging from 2.51–2.70 Å. There are five inequivalent Al sites. In the first Al site, Al is bonded in a 2-coordinate geometry to one Tm, two equivalent Fe, and eight Al atoms. There are a spread of Al–Al bond distances ranging from 2.55–2.99 Å. In the second Al site, Al is bonded in a 2-coordinate geometry to two equivalent Tm, two equivalent Fe, and eight Al atoms. There are a spread of Al–Al bond distances ranging from 2.68–2.80 Å. In the third Al site, Al is bonded in a 12-coordinate geometry to two equivalent Tm, two equivalent Fe, and eight Al atoms. There are a spread of Al–Al bond distances ranging from 2.75–2.91 Å. In the fourth Al site, Al is bonded in a 2-coordinate geometry to two equivalent Tm, two equivalent Fe, and eight Al atoms. There are one shorter (2.58 Å) and one longer (2.79 Å) Al–Al bond lengths. In the fifth Al site, Al is bonded to one Tm, two equivalent Fe, and nine Al atoms to form a mixture of distorted corner and face-sharing AlTmAl9Fe2 cuboctahedra. The Al–Al bond length is 2.71 Å.
DOI: 10.17188/1695403
title: Materials Data on LiMnPO4 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/cb8t8np9z3.2
title: Sky Images and PV Power Measurements for Irradiance Forecasting

description: Ground-based sky images related to sunny, partially cloudy, and overcast sky conditions are available in this data set with corresponding power measurements that were obtained from two rooftop PV systems. The sky camera systems were made using Raspberry Pi mini-computers (3rd Generation Model B) and using programmable high-resolution Pi-Cameras with fisheye lenses. The sky camera systems were operated remotely and were programmed to automatically capture images from 8.00 am to 4.45 pm at a rate of 10 seconds and store them in JPEG format with a resolution of 1024x768 pixels. The RPI camera was assumed to have an equidistant mapping function. To collect the data, one camera was installed near a rooftop PV system (Location 1) at the Sustainable Buildings Research Centre (SBRC) at the Innovation Campus, University of Wollongong, Australia. The second camera was installed 1.9 km away (Location 2) from the first camera and it was installed at the roof of "Building 35" at the Main Campus of the University of Wollongong, Australia. Further corresponding PV power measurements were collected from Location 1 and Locations 3 ([34.41°N, 150.88°E] rooftop PV system at "Building 28", the main campus, University of Wollongong) which is 2 km away from camera 1 (Location 1 [34.40°N, 150.90°E]). Power measurements were acquired from both locations with a 1-minute resolution. Data sets obtained from camera 1 can be used for onsite PV forecasting, whereas using both data sets obtained from camera 1 and camera 2, PV forecasts for multiple PV sites can be derived via calculating cloud base heights.
DOI: 10.17188/1695404
title: Materials Data on MnV(PO4)2 by Materials Project

description: VMn(PO4)2 crystallizes in the monoclinic P2_1/m space group. The structure is three-dimensional. V4+ is bonded to six O2- atoms to form VO6 pentagonal pyramids that share corners with four equivalent MnO6 octahedra, corners with four PO4 tetrahedra, and an edgeedge with one PO4 tetrahedra. The corner-sharing octahedra tilt angles range from 46–52°. There are a spread of V–O bond distances ranging from 1.95–2.07 Å. Mn2+ is bonded to six O2- atoms to form distorted MnO6 octahedra that share corners with four equivalent VO6 pentagonal pyramids, corners with four PO4 tetrahedra, and an edgeedge with one PO4 tetrahedra. There are a spread of Mn–O bond distances ranging from 2.05–2.38 Å. There are two inequivalent P5+ sites. In the first P5+ site, P5+ is bonded to four O2- atoms to form PO4 tetrahedra that share a cornercorner with one MnO6 octahedra, corners with three equivalent VO6 pentagonal pyramids, and an edgeedge with one MnO6 octahedra. The corner-sharing octahedral tilt angles are 56°. There are a spread of P–O bond distances ranging from 1.51–1.60 Å. In the second P5+ site, P5+ is bonded to four O2- atoms to form PO4 tetrahedra that share corners with three equivalent MnO6 octahedra, a cornercorner with one VO6 pentagonal pyramid, and an edgeedge with one VO6 pentagonal pyramid. The corner-sharing octahedra tilt angles range from 35–62°. There are a spread of P–O bond distances ranging from 1.50–1.58 Å. There are six inequivalent O2- sites. In the first O2- site, O2- is bonded in a bent 120 degrees geometry to one V4+ and one P5+ atom. In the second O2- site, O2- is bonded in a bent 120 degrees geometry to one Mn2+ and one P5+ atom. In the third O2- site, O2- is bonded in a 3-coordinate geometry to one V4+, one Mn2+, and one P5+ atom. In the fourth O2- site, O2- is bonded in a 3-coordinate geometry to one V4+, one Mn2+, and one P5+ atom. In the fifth O2- site, O2- is bonded in a bent 150 degrees geometry to one V4+ and one P5+ atom. In the sixth O2- site, O2- is bonded in a bent 150 degrees geometry to one Mn2+ and one P5+ atom.
DOI: 10.17188/1695406
title: Materials Data on ZnTe by Materials Project

description: ZnTe is Cinnabar structured and crystallizes in the trigonal P3_121 space group. The structure is three-dimensional. Zn2+ is bonded in a distorted rectangular see-saw-like geometry to four equivalent Te2- atoms. There are two shorter (2.70 Å) and two longer (2.75 Å) Zn–Te bond lengths. Te2- is bonded in a distorted rectangular see-saw-like geometry to four equivalent Zn2+ atoms.
DOI: 10.17632/tk534bkb85.1
title: FE-SEM large area tile scan showing a stained section through rosette leaves of Dionysia tapetodes at nanometre resolution.

description: The data show: 1) [Dtapetodes_leaves_HR_Seciton4.tif] A single large area electron micrograph of leaves taken from Dionysia tapetodes, a mountainous plant that generates long wool threads from its trichome cells. To generate this data, several leaves (part of an individual rosette) were fixed and osmicated, stained with uranyl acetate and embedded in Quetol resin. 1 micron sections were taken and imaged as tiles using a Verios 460 FE-Scanning Electron Microscope and FEI MAPS software. The single image has been stitched from the overlapping tiles. The data allows observations of cell organelles across all the leaf tissues going from outside-inside: trichomes, epidermis, mesophyll and vasculature. We are interested in the types of organelles enriched in glandular trichome head cells and they feature large vacuoles and sometimes several spherical organelles fitting the description of spherosomes or lipid droplets. The data is best observed with the freely available ImageJ software on computers with minimum 2 Gb of available RAM: Zoom out for overviews and zoom in for sub-cellular information. The image scalings are correctly imported from the image metadata when using ImageJ otherwise each pixel equals 31.7 nanometres. 2) [wool fibre measurements report.xlsx] Images of the D. tapetodes wool threads together with measurements taken on a Keyence VHX7000 digital microscope.
DOI: 10.17188/1695407
title: Materials Data on Mg2TiB2Ir5 by Materials Project

description: Mg2TiIr5B2 crystallizes in the tetragonal P4/mbm space group. The structure is three-dimensional. Mg is bonded in a 11-coordinate geometry to ten Ir and three equivalent B atoms. There are a spread of Mg–Ir bond distances ranging from 2.80–2.98 Å. There are one shorter (2.70 Å) and two longer (2.90 Å) Mg–B bond lengths. Ti is bonded in a body-centered cubic geometry to eight equivalent Ir atoms. All Ti–Ir bond lengths are 2.62 Å. There are two inequivalent Ir sites. In the first Ir site, Ir is bonded in a distorted body-centered cubic geometry to four equivalent Mg and four equivalent B atoms. All Ir–B bond lengths are 2.23 Å. In the second Ir site, Ir is bonded in a 8-coordinate geometry to four equivalent Mg, two equivalent Ti, and two equivalent B atoms. Both Ir–B bond lengths are 2.19 Å. B is bonded in a 7-coordinate geometry to three equivalent Mg and six Ir atoms.
DOI: 10.17188/1695408
title: Materials Data on PrSm(Co2Ni3)2 by Materials Project

description: SmPr(Co2Ni3)2 crystallizes in the orthorhombic Pmmm space group. The structure is three-dimensional. Sm is bonded in a 6-coordinate geometry to six Co and twelve Ni atoms. There are two shorter (2.85 Å) and four longer (2.86 Å) Sm–Co bond lengths. There are eight shorter (3.18 Å) and four longer (3.19 Å) Sm–Ni bond lengths. Pr is bonded in a 6-coordinate geometry to six Co and twelve Ni atoms. All Pr–Co bond lengths are 2.87 Å. There are four shorter (3.19 Å) and eight longer (3.20 Å) Pr–Ni bond lengths. There are two inequivalent Co sites. In the first Co site, Co is bonded in a 12-coordinate geometry to two equivalent Sm, one Pr, and six Ni atoms. There are two shorter (2.46 Å) and four longer (2.47 Å) Co–Ni bond lengths. In the second Co site, Co is bonded in a 12-coordinate geometry to one Sm, two equivalent Pr, and six Ni atoms. There are four shorter (2.46 Å) and two longer (2.47 Å) Co–Ni bond lengths. There are three inequivalent Ni sites. In the first Ni site, Ni is bonded to four equivalent Pr, four equivalent Co, and four equivalent Ni atoms to form NiPr4Co4Ni4 cuboctahedra that share corners with sixteen NiPr2Sm2Co4Ni4 cuboctahedra, edges with ten NiPr2Sm2Co4Ni4 cuboctahedra, and faces with ten NiPr4Co4Ni4 cuboctahedra. All Ni–Ni bond lengths are 2.48 Å. In the second Ni site, Ni is bonded to four equivalent Sm, four equivalent Co, and four equivalent Ni atoms to form NiSm4Co4Ni4 cuboctahedra that share corners with sixteen NiPr2Sm2Co4Ni4 cuboctahedra, edges with ten NiPr2Sm2Co4Ni4 cuboctahedra, and faces with ten NiSm4Co4Ni4 cuboctahedra. All Ni–Ni bond lengths are 2.47 Å. In the third Ni site, Ni is bonded to two equivalent Sm, two equivalent Pr, four Co, and four Ni atoms to form a mixture of edge, face, and corner-sharing NiPr2Sm2Co4Ni4 cuboctahedra. There are one shorter (2.47 Å) and one longer (2.49 Å) Ni–Ni bond lengths.
DOI: 10.17188/1695409
title: Materials Data on Hf9Re4S by Materials Project

description: Hf9Re4S crystallizes in the hexagonal P6_3/mmc space group. The structure is three-dimensional. there are four inequivalent Hf sites. In the first Hf site, Hf is bonded in a 2-coordinate geometry to four Re and one S atom. There are a spread of Hf–Re bond distances ranging from 2.41–3.12 Å. The Hf–S bond length is 2.37 Å. In the second Hf site, Hf is bonded in a 2-coordinate geometry to three Hf, two equivalent Re, and one S atom. There are a spread of Hf–Hf bond distances ranging from 2.53–3.04 Å. There are one shorter (2.95 Å) and one longer (3.07 Å) Hf–Re bond lengths. The Hf–S bond length is 3.13 Å. In the third Hf site, Hf is bonded in a single-bond geometry to one S atom. The Hf–S bond length is 2.54 Å. In the fourth Hf site, Hf is bonded in a distorted linear geometry to four equivalent Hf and two Re atoms. There are one shorter (2.77 Å) and one longer (2.98 Å) Hf–Re bond lengths. There are three inequivalent Re sites. In the first Re site, Re is bonded in a distorted linear geometry to two equivalent Hf and six Re atoms. There are two shorter (2.52 Å) and four longer (3.00 Å) Re–Re bond lengths. In the second Re site, Re is bonded in a 8-coordinate geometry to four Hf and four Re atoms. Both Re–Re bond lengths are 2.82 Å. In the third Re site, Re is bonded in a 7-coordinate geometry to seven Hf and three Re atoms. S is bonded in a 7-coordinate geometry to seven Hf atoms.
DOI: 10.17632/b49ht85b33.1
title: 2018 World Cup Viewer Response

description: This dataset contains data for the estimation of TV viewers’ response to sponsor messages embedded in live sports broadcasts. The data were obtained from 11 participants who each watched a full live broadcast of a 2018 soccer World Cup group stage match in a laboratory. Viewer-related data include participants’ heart rate, galvanic skin response, and visual attention to sponsor signage visible on screen throughout the entire game. The data additionally include game-related variables such as the minute of play and live betting odds over the course of the game. The data is structured longitudinally along 11 clusters, with 62,380 observations in total.
DOI: 10.17188/1695410
title: Materials Data on LiMo2AsO9 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: 10.17188/1695411
title: Materials Data on Hg2P4PdO8 by Materials Project

description: PdHg2P4O8 crystallizes in the orthorhombic Fddd space group. The structure is three-dimensional. Pd2+ is bonded in a 4-coordinate geometry to four equivalent P3+ atoms. All Pd–P bond lengths are 2.32 Å. Hg1+ is bonded in a 4-coordinate geometry to four O2- atoms. There are two shorter (2.08 Å) and two longer (2.69 Å) Hg–O bond lengths. P3+ is bonded in a bent 120 degrees geometry to one Pd2+ and two O2- atoms. There is one shorter (1.49 Å) and one longer (1.56 Å) P–O bond length. There are two inequivalent O2- sites. In the first O2- site, O2- is bonded in a distorted bent 120 degrees geometry to one Hg1+ and one P3+ atom. In the second O2- site, O2- is bonded in a distorted single-bond geometry to one Hg1+ and one P3+ atom.
DOI: 10.17632/rp6xy7rfhn.2
title: EnergyPlus Models - Research paper: Natural ventilation potential from weather analyses and building simulation

description: EnegyPlus files used in the investigations of the research article entitled “Natural ventilation potential from weather analyses and building simulation”. Reference: N.R.M. Sakiyama, L. Mazzaferro, J.C. Carlo, T. Bejat, H. Garrecht, Natural ventilation potential from weather analyses and building simulation, Energy and Buildings. 2020, 231, 110596. https://doi.org/10.1016/j.enbuild.2020.110596 Data in Brief: N.R.M. Sakiyama, L. Mazzaferro, J.C. Carlo, T. Bejat, H. Garrecht, Dataset of the EnergyPlus model used in the assessment of natural ventilation potential through building simulation, Data in Brief. 2020, 34, 106753. https://doi.org/10.1016/j.dib.2021.106753
DOI: 10.17188/1695412
title: Materials Data on TeAsIr by Materials Project

description: IrAsTe is Spinel-like structured and crystallizes in the cubic P2_13 space group. The structure is three-dimensional. Ir5+ is bonded to three equivalent As3- and three equivalent Te2- atoms to form IrTe3As3 octahedra that share corners with twelve equivalent IrTe3As3 octahedra, corners with three equivalent TeAsIr3 tetrahedra, and corners with three equivalent AsTeIr3 trigonal pyramids. The corner-sharing octahedra tilt angles range from 63–64°. All Ir–As bond lengths are 2.53 Å. All Ir–Te bond lengths are 2.66 Å. As3- is bonded to three equivalent Ir5+ and one Te2- atom to form AsTeIr3 trigonal pyramids that share corners with three equivalent IrTe3As3 octahedra, corners with nine equivalent TeAsIr3 tetrahedra, and corners with six equivalent AsTeIr3 trigonal pyramids. The corner-sharing octahedral tilt angles are 79°. The As–Te bond length is 2.65 Å. Te2- is bonded to three equivalent Ir5+ and one As3- atom to form TeAsIr3 tetrahedra that share corners with three equivalent IrTe3As3 octahedra, corners with six equivalent TeAsIr3 tetrahedra, and corners with nine equivalent AsTeIr3 trigonal pyramids. The corner-sharing octahedral tilt angles are 80°.
DOI: 10.17188/1695414
title: Materials Data on Ba2Fe2O5 by Materials Project

description: Ba2Fe2O5 crystallizes in the tetragonal P4/mmm space group. The structure is three-dimensional. there are two inequivalent Ba2+ sites. In the first Ba2+ site, Ba2+ is bonded in a body-centered cubic geometry to eight equivalent O2- atoms. All Ba–O bond lengths are 2.76 Å. In the second Ba2+ site, Ba2+ is bonded to twelve O2- atoms to form BaO12 cuboctahedra that share corners with four equivalent BaO12 cuboctahedra, faces with four equivalent BaO12 cuboctahedra, and faces with eight equivalent FeO5 square pyramids. There are four shorter (2.86 Å) and eight longer (3.02 Å) Ba–O bond lengths. Fe3+ is bonded to five O2- atoms to form FeO5 square pyramids that share corners with five equivalent FeO5 square pyramids and faces with four equivalent BaO12 cuboctahedra. There is one shorter (1.92 Å) and four longer (2.05 Å) Fe–O bond length. There are two inequivalent O2- sites. In the first O2- site, O2- is bonded in a 6-coordinate geometry to four Ba2+ and two equivalent Fe3+ atoms. In the second O2- site, O2- is bonded in a distorted linear geometry to four equivalent Ba2+ and two equivalent Fe3+ atoms.
DOI: 10.17188/1695415
title: Materials Data on Pr2US5 by Materials Project

description: UPr2S5 crystallizes in the orthorhombic Pnma space group. The structure is three-dimensional. U4+ is bonded to seven S2- atoms to form distorted edge-sharing US7 pentagonal bipyramids. There are a spread of U–S bond distances ranging from 2.67–2.88 Å. Pr3+ is bonded in a 8-coordinate geometry to eight S2- atoms. There are a spread of Pr–S bond distances ranging from 2.94–3.08 Å. There are four inequivalent S2- sites. In the first S2- site, S2- is bonded to two equivalent U4+ and two equivalent Pr3+ atoms to form distorted SPr2U2 trigonal pyramids that share corners with six SPr4U square pyramids, corners with two equivalent SPr4U trigonal bipyramids, corners with six equivalent SPr2U2 trigonal pyramids, edges with three SPr4U square pyramids, edges with two equivalent SPr4U trigonal bipyramids, and an edgeedge with one SPr2U2 trigonal pyramid. In the second S2- site, S2- is bonded to one U4+ and four equivalent Pr3+ atoms to form distorted SPr4U trigonal bipyramids that share corners with six SPr4U square pyramids, corners with four equivalent SPr4U trigonal bipyramids, corners with four equivalent SPr2U2 trigonal pyramids, edges with six SPr4U square pyramids, and edges with four equivalent SPr2U2 trigonal pyramids. In the third S2- site, S2- is bonded to one U4+ and four equivalent Pr3+ atoms to form SPr4U square pyramids that share corners with four equivalent SPr4U square pyramids, corners with five equivalent SPr4U trigonal bipyramids, corners with eight equivalent SPr2U2 trigonal pyramids, edges with three SPr4U square pyramids, edges with two equivalent SPr4U trigonal bipyramids, edges with two equivalent SPr2U2 trigonal pyramids, and a faceface with one SPr4U square pyramid. In the fourth S2- site, S2- is bonded to one U4+ and four equivalent Pr3+ atoms to form distorted SPr4U square pyramids that share corners with eight SPr4U square pyramids, a cornercorner with one SPr4U trigonal bipyramid, corners with four equivalent SPr2U2 trigonal pyramids, an edgeedge with one SPr4U square pyramid, edges with four equivalent SPr4U trigonal bipyramids, edges with four equivalent SPr2U2 trigonal pyramids, and a faceface with one SPr4U square pyramid.
DOI: 10.17188/1695416
title: Materials Data on Tb2Cl2O by Materials Project

description: Tb2OCl2 crystallizes in the tetragonal P4/mmm space group. The structure is zero-dimensional and consists of one Tb2OCl2 cluster. Tb is bonded in a linear geometry to one O and one Cl atom. The Tb–O bond length is 2.08 Å. The Tb–Cl bond length is 2.48 Å. O is bonded in a linear geometry to two equivalent Tb atoms. Cl is bonded in a single-bond geometry to one Tb atom.
DOI: 10.17188/1695417
title: Materials Data on ReO5 by Materials Project

description: (ReO4)2O2 is Silicon tetrafluoride-like structured and crystallizes in the tetragonal I4_1/a space group. The structure is zero-dimensional and consists of four rhenium;tetrahydrate molecules and four water molecules.
DOI: 10.17188/1695418
title: Materials Data on La4(CoB2)3 by Materials Project

description: (La2CoB3)2Co crystallizes in the monoclinic C2/m space group. The structure is two-dimensional and consists of two cobalt molecules and one La2CoB3 sheet oriented in the (0, 0, 1) direction. In the La2CoB3 sheet, there are two inequivalent La3+ sites. In the first La3+ site, La3+ is bonded in a 6-coordinate geometry to six B3- atoms. There are two shorter (2.75 Å) and four longer (2.76 Å) La–B bond lengths. In the second La3+ site, La3+ is bonded in a 6-coordinate geometry to six B3- atoms. All La–B bond lengths are 2.75 Å. Co2+ is bonded in a 6-coordinate geometry to six B3- atoms. There are four shorter (2.13 Å) and two longer (2.14 Å) Co–B bond lengths. There are two inequivalent B3- sites. In the first B3- site, B3- is bonded in a 9-coordinate geometry to four La3+, two equivalent Co2+, and three B3- atoms. There is two shorter (1.78 Å) and one longer (1.79 Å) B–B bond length. In the second B3- site, B3- is bonded in a 9-coordinate geometry to four La3+, two equivalent Co2+, and three B3- atoms. There is one shorter (1.78 Å) and one longer (1.79 Å) B–B bond length.
DOI: 10.17188/1695419
title: Materials Data on CaFe5O7 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