cometadata/datacite-titles-descriptions-related-identifiers huggingface dataset:
DOI: 10.17188/1200743
title: Materials Data on KMnO2 by Materials Project

description: KMnO2 crystallizes in the monoclinic C2/m space group. The structure is three-dimensional. K1+ is bonded in a 6-coordinate geometry to six O2- atoms. There are a spread of K–O bond distances ranging from 2.62–3.14 Å. Mn3+ is bonded to four O2- atoms to form a mixture of edge and corner-sharing MnO4 tetrahedra. There are a spread of Mn–O bond distances ranging from 1.91–1.98 Å. There are two inequivalent O2- sites. In the first O2- site, O2- is bonded in a rectangular see-saw-like geometry to two equivalent K1+ and two equivalent Mn3+ atoms. In the second O2- site, O2- is bonded in a 2-coordinate geometry to four equivalent K1+ and two equivalent Mn3+ atoms.
DOI: 10.5066/p9yh1668
title: Roost selection for Northern Long-eared Bats (Myotis septentrionalis) in Wisconsin

description: These data represent characteristics of trees used by Northern long-eared bats as roosts at three sites in Wisconsin, as well as characteristics of surrounding trees to compare characteristics of used versus available trees.
DOI: 10.17188/1200757
title: Materials Data on TlSn by Materials Project

description: TlSn is Tetraauricupride structured and crystallizes in the tetragonal P4/mmm space group. The structure is three-dimensional. Tl is bonded to four equivalent Tl and eight equivalent Sn atoms to form TlTl4Sn8 cuboctahedra that share corners with twelve equivalent TlTl4Sn8 cuboctahedra, edges with eight equivalent TlTl4Sn8 cuboctahedra, edges with sixteen equivalent SnTl8Sn4 cuboctahedra, faces with eight equivalent SnTl8Sn4 cuboctahedra, and faces with ten equivalent TlTl4Sn8 cuboctahedra. All Tl–Tl bond lengths are 3.35 Å. All Tl–Sn bond lengths are 3.55 Å. Sn is bonded to eight equivalent Tl and four equivalent Sn atoms to form SnTl8Sn4 cuboctahedra that share corners with twelve equivalent SnTl8Sn4 cuboctahedra, edges with eight equivalent SnTl8Sn4 cuboctahedra, edges with sixteen equivalent TlTl4Sn8 cuboctahedra, faces with eight equivalent TlTl4Sn8 cuboctahedra, and faces with ten equivalent SnTl8Sn4 cuboctahedra. All Sn–Sn bond lengths are 3.35 Å.
DOI: 10.17188/1200764
title: Materials Data on LiMnH6O7 by Materials Project

description: Li(H2O)3MnO4 crystallizes in the hexagonal P6_3mc space group. The structure is one-dimensional and consists of two mangan(iv)-hydroxyd molecules and one Li(H2O)3 ribbon oriented in the (0, 0, 1) direction. In the Li(H2O)3 ribbon, Li1+ is bonded to six equivalent O2- atoms to form face-sharing LiO6 octahedra. There are three shorter (2.16 Å) and three longer (2.17 Å) Li–O bond lengths. H1+ is bonded in a single-bond geometry to one O2- atom. The H–O bond length is 0.98 Å. O2- is bonded in a distorted water-like geometry to two equivalent Li1+ and two equivalent H1+ atoms.
DOI: 10.17188/1200766
title: Materials Data on Zr2Al by Materials Project

description: Zr2Al crystallizes in the hexagonal P6_3/mmc space group. The structure is three-dimensional. there are two inequivalent Zr sites. In the first Zr site, Zr is bonded in a 8-coordinate geometry to eight Zr and six equivalent Al atoms. There are two shorter (2.98 Å) and six longer (3.20 Å) Zr–Zr bond lengths. All Zr–Al bond lengths are 3.20 Å. In the second Zr site, Zr is bonded to six equivalent Zr and five equivalent Al atoms to form a mixture of distorted face and corner-sharing ZrZr6Al5 trigonal bipyramids. There are three shorter (2.83 Å) and two longer (2.98 Å) Zr–Al bond lengths. Al is bonded in a 5-coordinate geometry to eleven Zr atoms.
DOI: 10.17188/1200767
title: Materials Data on MoO2 by Materials Project

description: MoO2 is trigonal omega-like structured and crystallizes in the trigonal R-3m space group. The structure is two-dimensional and consists of three MoO2 sheets oriented in the (0, 0, 1) direction. Mo4+ is bonded to six equivalent O2- atoms to form edge-sharing MoO6 octahedra. All Mo–O bond lengths are 2.10 Å. O2- is bonded in a distorted trigonal non-coplanar geometry to three equivalent Mo4+ atoms.
DOI: 10.17188/1200768
title: Materials Data on ScMo3O8 by Materials Project

description: ScMo3O8 is beta Vanadium nitride-derived structured and crystallizes in the triclinic P1 space group. The structure is three-dimensional. Sc2+ is bonded to six O2- atoms to form ScO6 octahedra that share corners with twelve MoO6 octahedra. The corner-sharing octahedra tilt angles range from 48–54°. There are a spread of Sc–O bond distances ranging from 2.16–2.29 Å. There are three inequivalent Mo+4.67+ sites. In the first Mo+4.67+ site, Mo+4.67+ is bonded to six O2- atoms to form MoO6 octahedra that share corners with four equivalent ScO6 octahedra and edges with four MoO6 octahedra. The corner-sharing octahedra tilt angles range from 49–54°. There are a spread of Mo–O bond distances ranging from 2.05–2.12 Å. In the second Mo+4.67+ site, Mo+4.67+ is bonded to six O2- atoms to form MoO6 octahedra that share corners with four equivalent ScO6 octahedra and edges with four MoO6 octahedra. The corner-sharing octahedra tilt angles range from 48–51°. There are a spread of Mo–O bond distances ranging from 1.95–2.06 Å. In the third Mo+4.67+ site, Mo+4.67+ is bonded to six O2- atoms to form MoO6 octahedra that share corners with four equivalent ScO6 octahedra and edges with four MoO6 octahedra. The corner-sharing octahedra tilt angles range from 51–53°. There are a spread of Mo–O bond distances ranging from 2.06–2.10 Å. There are eight inequivalent O2- sites. In the first O2- site, O2- is bonded in a distorted trigonal planar geometry to one Sc2+ and two Mo+4.67+ atoms. In the second O2- site, O2- is bonded in a 3-coordinate geometry to three Mo+4.67+ atoms. In the third O2- site, O2- is bonded in a distorted trigonal planar geometry to one Sc2+ and two Mo+4.67+ atoms. In the fourth O2- site, O2- is bonded in a distorted trigonal planar geometry to one Sc2+ and two Mo+4.67+ atoms. In the fifth O2- site, O2- is bonded in a distorted trigonal planar geometry to one Sc2+ and two Mo+4.67+ atoms. In the sixth O2- site, O2- is bonded in a 3-coordinate geometry to three Mo+4.67+ atoms. In the seventh O2- site, O2- is bonded in a distorted trigonal planar geometry to one Sc2+ and two Mo+4.67+ atoms. In the eighth O2- site, O2- is bonded in a distorted trigonal planar geometry to one Sc2+ and two Mo+4.67+ atoms.
DOI: 10.17188/1200769
title: Materials Data on Li(MoO2)2 by Materials Project

description: Li(MoO2)2 is Spinel structured and crystallizes in the monoclinic C2/c space group. The structure is three-dimensional. Li1+ is bonded to four O2- atoms to form LiO4 tetrahedra that share corners with twelve MoO6 octahedra. The corner-sharing octahedra tilt angles range from 57–63°. There are two shorter (2.10 Å) and two longer (2.17 Å) Li–O bond lengths. There are two inequivalent Mo+3.50+ sites. In the first Mo+3.50+ site, Mo+3.50+ is bonded to six O2- atoms to form MoO6 octahedra that share corners with six equivalent LiO4 tetrahedra and edges with six MoO6 octahedra. There are a spread of Mo–O bond distances ranging from 2.17–2.19 Å. In the second Mo+3.50+ site, Mo+3.50+ is bonded to six O2- atoms to form MoO6 octahedra that share corners with six equivalent LiO4 tetrahedra and edges with six MoO6 octahedra. There are a spread of Mo–O bond distances ranging from 2.06–2.16 Å. There are two inequivalent O2- sites. In the first O2- site, O2- is bonded in a distorted rectangular see-saw-like geometry to one Li1+ and three Mo+3.50+ atoms. In the second O2- site, O2- is bonded in a distorted rectangular see-saw-like geometry to one Li1+ and three Mo+3.50+ atoms.
DOI: 10.17188/1200772
title: Materials Data on YMo3O8 by Materials Project

description: YMo3O8 is Hydrophilite-derived structured and crystallizes in the triclinic P-1 space group. The structure is three-dimensional. Y3+ is bonded to six O2- atoms to form YO6 octahedra that share corners with twelve MoO6 octahedra. The corner-sharing octahedra tilt angles range from 50–54°. There are a spread of Y–O bond distances ranging from 2.31–2.36 Å. There are three inequivalent Mo+4.33+ sites. In the first Mo+4.33+ site, Mo+4.33+ is bonded to six O2- atoms to form MoO6 octahedra that share corners with four equivalent YO6 octahedra and edges with four MoO6 octahedra. The corner-sharing octahedral tilt angles are 53°. There are four shorter (2.06 Å) and two longer (2.11 Å) Mo–O bond lengths. In the second Mo+4.33+ site, Mo+4.33+ is bonded to six O2- atoms to form MoO6 octahedra that share corners with four equivalent YO6 octahedra and edges with four MoO6 octahedra. The corner-sharing octahedra tilt angles range from 50–51°. There are a spread of Mo–O bond distances ranging from 1.99–2.04 Å. In the third Mo+4.33+ site, Mo+4.33+ is bonded to six O2- atoms to form MoO6 octahedra that share corners with four equivalent YO6 octahedra and edges with four MoO6 octahedra. The corner-sharing octahedra tilt angles range from 51–54°. There are a spread of Mo–O bond distances ranging from 2.04–2.12 Å. There are four inequivalent O2- sites. In the first O2- site, O2- is bonded in a distorted trigonal planar geometry to one Y3+ and two Mo+4.33+ atoms. In the second O2- site, O2- is bonded in a 3-coordinate geometry to three Mo+4.33+ atoms. In the third O2- site, O2- is bonded in a distorted trigonal planar geometry to one Y3+ and two Mo+4.33+ atoms. In the fourth O2- site, O2- is bonded in a distorted trigonal planar geometry to one Y3+ and two Mo+4.33+ atoms.
DOI: 10.17188/1200773
title: Materials Data on SmMg by Materials Project

description: SmMg is Tetraauricupride structured and crystallizes in the cubic Pm-3m space group. The structure is three-dimensional. Mg is bonded in a body-centered cubic geometry to eight equivalent Sm atoms. All Mg–Sm bond lengths are 3.33 Å. Sm is bonded in a body-centered cubic geometry to eight equivalent Mg atoms.
DOI: 10.17188/1200775
title: Materials Data on La2MoO6 (SG:14) 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: 10.17188/1200779
title: Materials Data on LiNiO2 by Materials Project

description: LiNiO2 is Ilmenite-like structured and crystallizes in the monoclinic Cm space group. The structure is three-dimensional. Li1+ is bonded in a rectangular see-saw-like geometry to four O2- atoms. There are a spread of Li–O bond distances ranging from 1.88–2.01 Å. Ni3+ is bonded to six O2- atoms to form edge-sharing NiO6 octahedra. There are a spread of Ni–O bond distances ranging from 1.89–2.25 Å. There are two inequivalent O2- sites. In the first O2- site, O2- is bonded to three equivalent Li1+ and three equivalent Ni3+ atoms to form OLi3Ni3 octahedra that share corners with six equivalent OLiNi3 tetrahedra, edges with six equivalent OLi3Ni3 octahedra, and edges with three equivalent OLiNi3 tetrahedra. In the second O2- site, O2- is bonded to one Li1+ and three equivalent Ni3+ atoms to form distorted OLiNi3 tetrahedra that share corners with six equivalent OLi3Ni3 octahedra, corners with six equivalent OLiNi3 tetrahedra, and edges with three equivalent OLi3Ni3 octahedra. The corner-sharing octahedra tilt angles range from 2–60°.
DOI: 10.17188/1200787
title: Materials Data on SeS by Materials Project

description: SeS is Halite, Rock Salt structured and crystallizes in the cubic Fm-3m space group. The structure is three-dimensional. Se2- is bonded to six equivalent S2+ atoms to form a mixture of corner and edge-sharing SeS6 octahedra. The corner-sharing octahedral tilt angles are 0°. All Se–S bond lengths are 2.71 Å. S2+ is bonded to six equivalent Se2- atoms to form a mixture of corner and edge-sharing SSe6 octahedra. The corner-sharing octahedral tilt angles are 0°.
DOI: 10.17188/1200795
title: Materials Data on LaN by Materials Project

description: LaN is Halite, Rock Salt structured and crystallizes in the cubic Fm-3m space group. The structure is three-dimensional. La3+ is bonded to six equivalent N3- atoms to form a mixture of edge and corner-sharing LaN6 octahedra. The corner-sharing octahedral tilt angles are 0°. All La–N bond lengths are 2.65 Å. N3- is bonded to six equivalent La3+ atoms to form a mixture of edge and corner-sharing NLa6 octahedra. The corner-sharing octahedral tilt angles are 0°.
DOI: 10.17188/1200796
title: Materials Data on Ti3Hg by Materials Project

description: HgTi3 is Uranium Silicide structured and crystallizes in the cubic Pm-3m space group. The structure is three-dimensional. Ti is bonded to eight equivalent Ti and four equivalent Hg atoms to form distorted TiTi8Hg4 cuboctahedra that share corners with twelve equivalent TiTi8Hg4 cuboctahedra, edges with eight equivalent HgTi12 cuboctahedra, edges with sixteen equivalent TiTi8Hg4 cuboctahedra, faces with four equivalent HgTi12 cuboctahedra, and faces with fourteen equivalent TiTi8Hg4 cuboctahedra. All Ti–Ti bond lengths are 2.93 Å. All Ti–Hg bond lengths are 2.93 Å. Hg is bonded to twelve equivalent Ti atoms to form HgTi12 cuboctahedra that share corners with twelve equivalent HgTi12 cuboctahedra, edges with twenty-four equivalent TiTi8Hg4 cuboctahedra, faces with six equivalent HgTi12 cuboctahedra, and faces with twelve equivalent TiTi8Hg4 cuboctahedra.
DOI: 10.17188/1200800
title: Materials Data on LiNi(WO4)2 by Materials Project

description: LiNi(WO4)2 crystallizes in the triclinic P1 space group. The structure is three-dimensional. Li1+ is bonded in a 6-coordinate geometry to six O2- atoms. There are a spread of Li–O bond distances ranging from 1.95–2.46 Å. There are two inequivalent W6+ sites. In the first W6+ site, W6+ is bonded to six O2- atoms to form distorted WO6 octahedra that share corners with four equivalent NiO6 octahedra and edges with two equivalent WO6 octahedra. The corner-sharing octahedra tilt angles range from 40–55°. There are a spread of W–O bond distances ranging from 1.82–2.18 Å. In the second W6+ site, W6+ is bonded to six O2- atoms to form distorted WO6 octahedra that share corners with four equivalent NiO6 octahedra and edges with two equivalent WO6 octahedra. The corner-sharing octahedra tilt angles range from 34–54°. There are a spread of W–O bond distances ranging from 1.79–2.21 Å. Ni3+ is bonded to six O2- atoms to form NiO6 octahedra that share corners with eight WO6 octahedra. The corner-sharing octahedra tilt angles range from 34–55°. There are a spread of Ni–O bond distances ranging from 2.05–2.14 Å. There are eight inequivalent O2- sites. In the first O2- site, O2- is bonded in a 3-coordinate geometry to one Li1+, one W6+, and one Ni3+ atom. In the second O2- site, O2- is bonded in a distorted trigonal planar geometry to one Li1+, one W6+, and one Ni3+ atom. In the third O2- site, O2- is bonded in a 3-coordinate geometry to one Li1+ and two W6+ atoms. In the fourth O2- site, O2- is bonded in a distorted trigonal planar geometry to one Li1+, one W6+, and one Ni3+ atom. In the fifth O2- site, O2- is bonded in a trigonal planar geometry to two W6+ and one Ni3+ atom. In the sixth O2- site, O2- is bonded in a 3-coordinate geometry to one Li1+ and two W6+ atoms. In the seventh O2- site, O2- is bonded in a bent 150 degrees geometry to one W6+ and one Ni3+ atom. In the eighth O2- site, O2- is bonded in a distorted trigonal pyramidal geometry to one Li1+, two W6+, and one Ni3+ atom.
DOI: 10.6073/pasta/beed4e91c44eb7297769158f60f898d4
title: Shear Stress, Biomass, Bulk Density, Organic Matter on the Bank of the York River, VA 2018

description: This dataset includes data used to assess marsh vulnerability to sea-level rise by quantifying marsh erodibility along a salinity gradient in the York River in southeastern Virginia. We measured the erodibility of marshes along a salinity gradient in the York River, a tributary of the Chesapeake Bay (Virginia, USA). We chose five marshes along the York River salinity gradient for this study. Salinity decreases upriver from 18 ppt at the Goodwin Islands to 0 ppt at the Pamunkey Indian Reservation. Within these overall sites, we chose sampling locations along tidal creeks 5-10 m wide, with marsh widths beyond 20 meters and consistent elevations across all study sites. We collected samples from both the tidal channel marsh edge and from the marsh interior. Edge sites were located between the tidal channel and any levee (1 m from edge), while interior sites were located at a measured distance of 10-12 m away from the edge site. All field work was done in July-August 2018, except for the collection of cores for belowground biomass at the Sweet Hall Marsh and Pamunkey Indian Reservation marsh edge sites (September 2018) and elevation profiles of the Pamunkey Indian Reservation (March 2020). Data tables are: 1) shear strength, 2) aboveground biomass, 3) belowground biomass, 4) LOI (loss on ignition), 5) kinematic GPS data along the transects and 6) averages for each station of variables in tables 1, 3 and 4.
DOI: 10.6073/pasta/507d27e02f7df511bcb50d7bf8347839
title: Hourly Meteorological Data for the Virginia Coast Reserve LTER 1989-present

description: Data from VCR/LTER meteorological stations is listed in comma-separated-value (CSV) files by year. A combined file for all years is also available, sorted by station, date and time, however, unlike the annual files, this combined file is too large for most spreadsheets to handle. A compressed copy of all the .CSV files is included in a single .ZIP file for users who wish to conveniently download a copy of all the data.
DOI: 10.6073/pasta/a3e11256638f1f418a897d74e0354fa8
title: Tide Data for Hog Island (1991-), Redbank (1992-), Oyster (2007-)

description: Tide data from VCR/LTER tide stations. It is available as a single large comma-separated-value file (size &gt;50MB) or as individual years. Zip files contain annually-segmented data in two forms. The file tideYY.dat contains the data for year YY in a column format. The file tideYY.csv contains the same data in a comma-delimited format. For several sites and time periods, water temperatures are also recorded. All dates and times are in Eastern Standard Time.
DOI: 10.6084/m9.figshare.13370504.v4
title: Speedtest Open Data - Australia 2020-04-01 extract

description: This is an Australian extract of Speedtest Open data available at Amazon WS (link below - opendata.aws).<br>AWS data licence is "CC BY-NC-SA 4.0", so use of this data must be:- non-commercial (NC)- reuse must be share-alike (SA)(add same licence).This restricts the standard CC-BY Figshare licence.<br>A world speedtest open data was dowloaded (&gt;400Mb, 7M lines of data). An extract of Australia's location (lat, long) revealed 88,000 lines of data (attached as csv).<br>A Jupyter notebook of extract process is attached.A link to Twitter thread of outputs provided.A link to Data tutorial provided (GitHub), including Jupyter Notebook to analyse World Speedtest data, selecting one US State.<br>Data Shows:- 3.1M speedtests- 762,000 devices- 88,000 grid locations (600m * 600m), summarised as a point- average speed 33.7Mbps (down), 12.4M (up)- Max speed 724Mbps- data is for 600m * 600m grids, showing average speed up/down, number of tests, and number of users (IP). Added centroid, and now lat/long.<br>See tweet of image of centroids also attached.<br>Versions:v4 - added Melb choropleth (png 50Mpix) inc legend. (To do - add Melb.geojson)v3 - Add super fast data (&gt;100Mbps) less than 1% of data - 697 lines. Includes png of superfast.plot(). Link below to Google Maps version of superfast data points. Also Google map of first 100 data points - sample data. Geojson format for loading into GeoPandas, per Jupyter Notebook. New version of Jupyter Notebook, v.1.1.v2 - add centroids image.v1 - initial data load.
DOI: 10.5281/zenodo.4477091
title: PENELLOPE - X-Shooter spectra of targets in the Orion OB1 and sigma-Orionis regions

description: Spectra of the targets in the Orion OB1 and sigma Orionis regions observed with the VLT/X-Shooter spectrograph in November-December 2020. These spectra are part of the PENELLOPE Large Program and are obtained close in time to the HST/ULLYSES spectra of the same targets. Here one can find the 1D absolute flux-calibrated and telluric corrected spectra. Each object is observed simultaneously in three arms, UVB, VIS, and NIR, and the spectrum of each arm is saved in one file. The units of the spectra are: Flux [erg/s/cm2/nm]; Wavelength [nm]. Data are public, we ask to ask to the authors of this release, who contributed to the observation preparation and data reduction, whether they want to be included in any publication using these data. The data are presented in Manara et al. (2021), currently in prep. For questions or comments please contact Carlo Manara, cmanara@eso.org
DOI: 10.5281/zenodo.4477090
title: PENELLOPE - X-Shooter spectra of targets in the Orion OB1 and sigma-Orionis regions

description: Spectra of the targets in the Orion OB1 and sigma Orionis regions observed with the VLT/X-Shooter spectrograph in November-December 2020. These spectra are part of the PENELLOPE Large Program and are obtained close in time to the HST/ULLYSES spectra of the same targets. Here one can find the 1D absolute flux-calibrated and telluric corrected spectra. Each object is observed simultaneously in three arms, UVB, VIS, and NIR, and the spectrum of each arm is saved in one file. The units of the spectra are: Flux [erg/s/cm2/nm]; Wavelength [nm]. Data are public, we ask to ask to the authors of this release, who contributed to the observation preparation and data reduction, whether they want to be included in any publication using these data. The data are presented in Manara et al. (2021), currently in prep. For questions or comments please contact Carlo Manara, cmanara@eso.org
DOI: 10.6084/m9.figshare.13661312
title: Global Multi-layer Soil Moisture Products

description: This collection includes seven soil moisture datasets that cover the globe and the time period 1970–2016, at a spatial resolution of 0.5 degrees, time step of monthly, and vertical resolution of four soil layers (0-10cm, 10-30cm, 30-50cm, 50-100cm). <br>Please see attached file for more detailed description and access information.<br>
DOI: 10.6084/m9.figshare.13661189
title: Sodalis_and_Symbiopectobacterium_analysis_files

description: These files were used in the analysis of <i>Sodalis</i>- and <i>Symbiopectobacterium</i>-related endosymbiont genomes. Genomes were obtained from public sources (referenced below) or from original analyses (https://doi.org/10.6084/m9.figshare.13632407.v1 and https://doi.org/10.6084/m9.figshare.13632398.v2). Analyses were conducted using Prokka (Seemann, 2014) Pseudofinder (Syberg-Olsen <i>et al</i>., 2020), and custom python scripts available here: https://github.com/Arkadiy-Garber/PLON-genome-paper
DOI: 10.5281/zenodo.4477674
title: CODE-AE Datasets

description: This repo includes the datasets that are used to benchmark the experiment results of paper titled "CODE-AE: A Coherent De-confounding Autoencoder for Predicting Patient-Specific Drug Response From Cell Line Transcriptomics"