cometadata/datacite-titles-descriptions-related-identifiers huggingface dataset:
DOI: 10.24435/materialscloud:2020.0030/v1
title: The JuDiT database of impurities embedded into a Topological Insulator

description: We present JuDiT (Jülich Database of impurities embedded into a Topological insulator) which collects first principles calculation of impurities embedded into the prototypical topological insulator Sb2Te3. The density functional calculations of this work were performed with the JuKKR package [1], which allows to embed translational invariance breaking impurities into crystalline host system based on the Korringa-Kohn-Rostoker Green function method, and were performed with the AiiDA-KKR package [2]. Our database collects, among others,  predicted impurity properties like charge doping introduced by the defects, magnetic moments of the impurities and impurity density of states calculations. We include calculations for the intrinsic Fermi level in the middle of the bulk band gap as well as for shifted Fermi level into valence and conduction band which models different experimental conditions. The impurities were embedded into different layers throughout a 6 quintuple layer thick film which allows to investigate the effect of the topological surface state (localized at the surface) on impurity properties. The JuDiT database allows to uncover chemical trends in impurity properties and can help optimizing the next generation of topological materials.

[1] https://jukkr.fz-juelich.de and www.judft.de
[2] https://github.com/JuDFTteam/aiida-kkr
DOI: 10.24435/materialscloud:2019.0069/v1
title: Band gap of atomically precise graphene nanoribbons as a function of ribbon length and termination

description: The record contains the theoretical data supporting a recent publication where we discuss the band gap of finite  armchair graphene nanoribbons with a width of seven rows of carbon atoms (7‐AGNRs) on Au(111) through scanning tunneling microscopy/spectroscopy combined with density functional theory calculations.
DOI: 10.24435/materialscloud:2019.0059/v1
title: Charge transfer in LaVO3/LaTiO3 multilayers: Strain-controlled dimensionality of interface metallicity between two Mott insulators

description: We use density-functional theory plus dynamical mean-field theory to demonstrate the emergence of a metallic layer at the interface between the two Mott insulators LaTiO3 and LaVO3. The metallic layer is due to charge transfer across the interface, which alters the valence state of the transition-metal cations close to the interface. Somewhat counterintuitively, the charge is transferred from the Ti cations with formal d1 electron configuration to the the V cations with formal d2 configuration, thereby increasing the occupation difference of the t2g states. This can be understood as a result of a gradual transition of the charge-transfer energy, or electronegativity, across the interface. The spatial extension of the metallic layer, in particular toward the LaTiO3 side, can be controlled by epitaxial strain, with tensile strain leading to a localization within a thickness of only two unit cells. Our results open up a route for creating a tunable quasi-two-dimensional electron gas in materials with strong electronic correlations.
DOI: 10.24435/materialscloud:wz-5h
title: Band gap of atomically precise graphene nanoribbons as a function of ribbon length and termination

description: The record contains the theoretical data supporting a recent publication where we discuss the band gap of finite  armchair graphene nanoribbons with a width of seven rows of carbon atoms (7‐AGNRs) on Au(111) through scanning tunneling microscopy/spectroscopy combined with density functional theory calculations.
DOI: 10.24435/materialscloud:xr-xd
title: Charge transfer in LaVO3/LaTiO3 multilayers: Strain-controlled dimensionality of interface metallicity between two Mott insulators

description: We use density-functional theory plus dynamical mean-field theory to demonstrate the emergence of a metallic layer at the interface between the two Mott insulators LaTiO3 and LaVO3. The metallic layer is due to charge transfer across the interface, which alters the valence state of the transition-metal cations close to the interface. Somewhat counterintuitively, the charge is transferred from the Ti cations with formal d1 electron configuration to the the V cations with formal d2 configuration, thereby increasing the occupation difference of the t2g states. This can be understood as a result of a gradual transition of the charge-transfer energy, or electronegativity, across the interface. The spatial extension of the metallic layer, in particular toward the LaTiO3 side, can be controlled by epitaxial strain, with tensile strain leading to a localization within a thickness of only two unit cells. Our results open up a route for creating a tunable quasi-two-dimensional electron gas in materials with strong electronic correlations.
DOI: 10.24435/materialscloud:2019.0057/v1
title: The reaction mechanism of the azide–alkyne Huisgen cycloaddition

description: In a recent publication we inspected the mechanism of the  azide–alkyne Huisgen cycloaddition. We studied the dynamical aspects of the process using metadynamics computer simulations. We focused on the conformational aspects that determine the course of the reaction and characterize its free energy landscape. This record contains data related to the calculations discussed in the publication.
DOI: 10.24435/materialscloud:2020.0020/v1
title: Vanadium is an optimal element for strengthening in both fcc and bcc high-entropy alloys

description: The element Vanadium (V) appears unique among alloying elements for providing high strengthening in both the fcc Co-Cr-Fe-Mn-Ni-V and bcc Cr-Mo-Nb-Ta-V-W-Hf-Ti-Zr high-entropy alloy families. The origin of Vanadium's special role is its atomic volume: large in the fcc alloys and small in the bcc alloys, and thus having a large misfit volume in both crystalline structures. A parameter-free theory applicable to both fcc and bcc HEAs rationalizes this finding, with predictions of strength across a range of fcc and bcc alloys in quantitative and qualitative agreement with experiments. In the fcc class, the analysis demonstrates why the newly-discovered NiCoV and Ni0.632V0.368 alloys have far higher strength than any other fcc alloy and are predicted to be the highest attainable. In the bcc class, the analysis demonstrates that the addition of V always increases the strength relative to the same alloys without V. The optimization of complex alloys for high strength should thus center around the inclusion of V as a primary element at concentration levels of around 25 at.%.
DOI: 10.24435/materialscloud:pw-2t
title: The reaction mechanism of the azide–alkyne Huisgen cycloaddition

description: In a recent publication we inspected the mechanism of the  azide–alkyne Huisgen cycloaddition. We studied the dynamical aspects of the process using metadynamics computer simulations. We focused on the conformational aspects that determine the course of the reaction and characterize its free energy landscape. This record contains data related to the calculations discussed in the publication.
DOI: 10.15468/dl.uztv84
title: Occurrence Download

description: A dataset containing 80 species occurrences available in GBIF matching the query:
{
 "TaxonKey" : [
 "is Leucas menthifolia Baker"
 ]
}

 The dataset includes 80 records from 12 constituent datasets; see https://api.gbif.org/v1/occurrence/download/0008525-230530130749713/datasets/export for details.
 
Data from some individual datasets included in this download may be licensed under less restrictive terms.
DOI: 10.15468/dl.fvehp3
title: Occurrence Download

description: A dataset containing 670 species occurrences available in GBIF matching the query:
{
 "and" : [
 "TaxonKey is Salix arenaria L.",
 "HasCoordinate is true",
 "HasGeospatialIssue is false"
 ]
}

 The dataset includes 670 records from 29 constituent datasets; see https://api.gbif.org/v1/occurrence/download/0180967-220831081235567/datasets/export for details.
 
Data from some individual datasets included in this download may be licensed under less restrictive terms.
DOI: 10.15468/dl.yhpvqc
title: Occurrence Download

description: A dataset containing 32 species occurrences available in GBIF matching the query:
{
 "TaxonKey" : [
 "is Hypodiscus rugosus Mart."
 ]
}

 The dataset includes 32 records from 8 constituent datasets; see https://api.gbif.org/v1/occurrence/download/0251237-230224095556074/datasets/export for details.
 
Data from some individual datasets included in this download may be licensed under less restrictive terms.
DOI: 10.15468/dl.2x4kg4
title: Occurrence Download

description: A dataset containing 792 species occurrences available in GBIF matching the query:
{
 "and" : [
 "Country is Mexico",
 "TaxonKey is Lepomis macrochirus Rafinesque, 1819"
 ]
}

 The dataset includes 792 records from 38 constituent datasets; see https://api.gbif.org/v1/occurrence/download/0180968-220831081235567/datasets/export for details.
 
Data from some individual datasets included in this download may be licensed under less restrictive terms.
DOI: 10.15468/dl.yuxfue
title: Occurrence Download

description: A dataset containing 19 species occurrences available in GBIF matching the query:
{
 "TaxonKey" : [
 "is Leucas mwingensis Sebald"
 ]
}

 The dataset includes 19 records from 5 constituent datasets; see https://api.gbif.org/v1/occurrence/download/0008529-230530130749713/datasets/export for details.
 
Data from some individual datasets included in this download may be licensed under less restrictive terms.
DOI: 10.15468/dl.qzk5zw
title: Occurrence Download

description: A dataset containing 1 species occurrences available in GBIF matching the query:
{
 "and" : [
 "TaxonKey is Chaenorhinum idaeum Rech.fil.",
 "HasCoordinate is true",
 "HasGeospatialIssue is false"
 ]
}

 The dataset includes 1 records from 1 constituent datasets; see https://api.gbif.org/v1/occurrence/download/0180970-220831081235567/datasets/export for details.
 
Data from some individual datasets included in this download may be licensed under less restrictive terms.
DOI: 10.15468/dl.ujkqbg
title: Occurrence Download

description: A dataset containing 6343 species occurrences available in GBIF matching the query:
{
 "TaxonKey" : [
 "is Scutellaria indica L."
 ]
}

 The dataset includes 6343 records from 161 constituent datasets; see https://api.gbif.org/v1/occurrence/download/0121955-230530130749713/datasets/export for details.
 
Data from some individual datasets included in this download may be licensed under less restrictive terms.
DOI: 10.15468/dl.xf36q2
title: Occurrence Download

description: A dataset containing 0 species occurrences available in GBIF matching the query:
{
 "and" : [
 "TaxonKey is Calceolaria scabiosifolia Sieber ex Sims",
 "HasCoordinate is true",
 "Country is Japan",
 "HasGeospatialIssue is false"
 ]
}

 The dataset includes 0 records from 0 constituent datasets; see https://api.gbif.org/v1/occurrence/download/0201403-220831081235567/datasets/export for details.
DOI: 10.15468/dl.rxujag
title: Occurrence Download

description: A dataset listing the 96339 species recorded in GBIF matching the query:
{
 "and" : [
 "BasisOfRecord is one of (Observation, Human Observation, Specimen, Occurrence evidence)",
 "Country is Canada",
 "IucnRedListCategory is one of (CR, EN, VU, NT, LC, DD, NE)",
 "OccurrenceStatus is Present"
 ]
}

 The dataset's 96339 records were derived from 1745 constituent datasets; see https://api.gbif.org/v1/occurrence/download/0180962-220831081235567/datasets/export for details.
 
Data from some individual datasets included in this download may be licensed under less restrictive terms.
DOI: 10.15468/dl.ea96x9
title: Occurrence Download

description: A dataset containing 1268 species occurrences available in GBIF matching the query:
{
 "and" : [
 "Geometry POLYGON((-74.81371 -17.70735,-69.39126 -17.70735,-69.39126 -14.70714,-74.81371 -14.70714,-74.81371 -17.70735))",
 "HasGeospatialIssue is false",
 "TaxonKey is Conirostrum cinereum d'Orbigny & Lafresnaye, 1838",
 "Year 2021-2025"
 ]
}

 The dataset includes 1268 records from 3 constituent datasets; see https://api.gbif.org/v1/occurrence/download/0006781-250127130748423/datasets/export for details.
 
Data from some individual datasets included in this download may be licensed under less restrictive terms.
DOI: 10.15468/dl.v9r89w
title: Occurrence Download

description: A dataset containing 30 species occurrences available in GBIF matching the query:
{
 "and" : [
 "TaxonKey is Rhinolophus blasii Peters, 1867",
 "HasCoordinate is true",
 "Year is greater than or equal to 2013",
 "Year is less than or equal to 2018",
 "CoordinateUncertaintyInMeters is less than or equal to 1000"
 ]
}

 The dataset includes 30 records from 5 constituent datasets; see https://api.gbif.org/v1/occurrence/download/0006782-250127130748423/datasets/export for details.
 
Data from some individual datasets included in this download may be licensed under less restrictive terms.
DOI: 10.6084/m9.figshare.27948342
title: Supplementary_Data_Roberts_at_al_2024

description: Supplementary data from: <br><br>Multiple Displacement Amplification Facilitates SMRT Sequencing of Microscopic Animals and the Genome of the Gastrotrich <i>Lepidodermella squamata</i> (Dujardin, 1841)Nickellaus G Roberts, Michael J Gilmore, Torsten H Struck, Kevin M Kocot<br><br>Hox gene alignment and tree: hox_alignment_treeOrthogroup sequences: Orthofinder_outputs<br>iqtree tree, log, and supermatrix: iqtreeannotation details and braker outputs: braker
DOI: 10.34740/kaggle/dsv/10629136
title: Turkish Second Hand Automobile Markets Dataset
DOI: 10.5281/zenodo.14777571
title: SpinML: Customized Synthetic Data Generation for Private Training of Specialized ML Models

description: This is a sample dataset required for running experiments described in the SpinML paper.

The sample dataset is based of on Husky dogs that are classified based on the task that they are doing like sitting, sleeping, eating and playing. 

The dataset consists of both real dataset and synthetic dataset (generated using a diffusion model), that are useful to check the privacy utility trade off as mentioned in the SpinML paper.
DOI: 10.5281/zenodo.14777572
title: SpinML: Customized Synthetic Data Generation for Private Training of Specialized ML Models

description: This is a sample dataset required for running experiments described in the SpinML paper.

The sample dataset is based of on Husky dogs that are classified based on the task that they are doing like sitting, sleeping, eating and playing. 

The dataset consists of both real dataset and synthetic dataset (generated using a diffusion model), that are useful to check the privacy utility trade off as mentioned in the SpinML paper.
DOI: 10.15468/dl.ht4eqf
title: Occurrence Download

description: A dataset containing 710 species occurrences available in GBIF matching the query:
{
 "and" : [
 "TaxonKey is Canis aureus Linnaeus, 1758",
 "HasCoordinate is true",
 "Year is greater than or equal to 2013",
 "Year is less than or equal to 2018",
 "CoordinateUncertaintyInMeters is less than or equal to 1000"
 ]
}

 The dataset includes 710 records from 11 constituent datasets; see https://api.gbif.org/v1/occurrence/download/0006783-250127130748423/datasets/export for details.
 
Data from some individual datasets included in this download may be licensed under less restrictive terms.
DOI: 10.5281/zenodo.14776436
title: Mammal food webs are more responsive to biodiversity loss than climate change over the late Quaternary

description: This repository includes R scripts and data needed for the manuscript: "Mammal food webs are more responsive to biodiversity loss than climate change over the late Quaternary".
DOI: 10.15468/dl.g52mqp
title: Occurrence Download

description: A dataset containing 11 species occurrences available in GBIF matching the query:
{
 "and" : [
 "OccurrenceStatus is Present",
 "TaxonKey is Pseudoryx nghetinhensis Dung, Giao, Chinh, Tuoc, Arctander & MacKinnon, 1993"
 ]
}

 The dataset includes 11 records from 6 constituent datasets; see https://api.gbif.org/v1/occurrence/download/0006784-250127130748423/datasets/export for details.
 
Data from some individual datasets included in this download may be licensed under less restrictive terms.
DOI: 10.15468/dl.trbxat
title: Occurrence Download

description: A dataset containing 35 species occurrences available in GBIF matching the query:
{
 "and" : [
 "TaxonKey is Rupicapra rupicapra balcanica Bolkay, 1925",
 "HasCoordinate is true",
 "Year is greater than or equal to 2013",
 "Year is less than or equal to 2018",
 "CoordinateUncertaintyInMeters is less than or equal to 1000"
 ]
}

 The dataset includes 35 records from 3 constituent datasets; see https://api.gbif.org/v1/occurrence/download/0006785-250127130748423/datasets/export for details.
 
Data from some individual datasets included in this download may be licensed under less restrictive terms.
DOI: 10.15468/dl.vrtnvc
title: Occurrence Download

description: A dataset containing 76 species occurrences available in GBIF matching the query:
{
 "and" : [
 "BasisOfRecord is one of (Observation, Human Observation, Specimen)",
 "Geometry POLYGON((-116.62 40.64,-98.51 40.64,-98.51 45.52,-116.62 45.52,-116.62 40.64))",
 "HasCoordinate is true",
 "License is one of (CC0 1.0, CC-BY 4.0, CC-BY-NC 4.0)",
 "OccurrenceStatus is Present",
 "TaxonKey is Ochrophyta"
 ]
}

 The dataset includes 76 records from 12 constituent datasets; see https://api.gbif.org/v1/occurrence/download/0006786-250127130748423/datasets/export for details.
 
Data from some individual datasets included in this download may be licensed under less restrictive terms.
DOI: 10.15468/dl.e2f4m4
title: Occurrence Download

description: A dataset containing 7763591 species occurrences available in GBIF matching the query:
{
 "and" : [
 "Continent is Asia",
 "DatasetKey is iNaturalist Research-grade Observations",
 "OccurrenceStatus is Present"
 ]
}

 The dataset includes 7763591 records from 1 constituent datasets; see https://api.gbif.org/v1/occurrence/download/0006772-250127130748423/datasets/export for details.
 
Data from some individual datasets included in this download may be licensed under less restrictive terms.
DOI: 10.15468/dl.xzhd7p
title: Occurrence Download

description: A dataset containing 500 species occurrences available in GBIF matching the query:
{
 "and" : [
 "HasCoordinate is true",
 "HasGeospatialIssue is false",
 "OccurrenceStatus is Present",
 "TaxonKey is Branchiobdella pentadonta Whitman, 1882"
 ]
}

 The dataset includes 500 records from 6 constituent datasets; see https://api.gbif.org/v1/occurrence/download/0006787-250127130748423/datasets/export for details.
 
Data from some individual datasets included in this download may be licensed under less restrictive terms.
DOI: 10.15468/dl.uqmtca
title: Occurrence Download

description: A dataset containing 2281 species occurrences available in GBIF matching the query:
{
 "and" : [
 "Country is United States of America",
 "TaxonKey is Oplismenus hirtellus (L.) P.Beauv."
 ]
}

 The dataset includes 2281 records from 81 constituent datasets; see https://api.gbif.org/v1/occurrence/download/0006789-250127130748423/datasets/export for details.
 
Data from some individual datasets included in this download may be licensed under less restrictive terms.
DOI: 10.15468/dl.gesstg
title: Occurrence Download

description: A dataset containing 15849478 species occurrences available in GBIF matching the query:
{
 "Country" : [
 "is Poland"
 ]
}

 The dataset includes 15849478 records from 1407 constituent datasets; see https://api.gbif.org/v1/occurrence/download/0006777-250127130748423/datasets/export for details.
 
Data from some individual datasets included in this download may be licensed under less restrictive terms.
DOI: 10.15468/dl.9qe85s
title: Occurrence Download

description: A dataset containing 12019 species occurrences available in GBIF matching the query:
{
 "TaxonKey" : [
 "is Russula xerampelina (Schaeff.) Fr."
 ]
}

 The dataset includes 12019 records from 269 constituent datasets; see https://api.gbif.org/v1/occurrence/download/0006790-250127130748423/datasets/export for details.
 
Data from some individual datasets included in this download may be licensed under less restrictive terms.
DOI: 10.15468/dl.bylngh
title: Occurrence Download

description: A dataset containing 91 species occurrences available in GBIF matching the query:
{
 "TaxonKey" : [
 "is Trigonisca azteca Ayala, 1999"
 ]
}

 The dataset includes 91 records from 6 constituent datasets; see https://api.gbif.org/v1/occurrence/download/0006830-190918142434337/datasets/export for details.
 
Data from some individual datasets included in this download may be licensed under less restrictive terms.
DOI: 10.15468/dl.z6t7ak
title: Occurrence Download

description: A dataset containing 0 species occurrences available in GBIF matching the query:
{
 "and" : [
 "TaxonKey is one of (Asclepias tuberosa Roxb.)",
 "HasCoordinate is true",
 "HasGeospatialIssue is false",
 "BasisOfRecord is one of (Human Observation, Observation, Specimen)",
 "Year is greater than 1945"
 ]
}

 The dataset includes 0 records from 0 constituent datasets; see https://api.gbif.org/v1/occurrence/download/0278234-200613084148143/datasets/export for details.
DOI: 10.15468/dl.sbpphy
title: Occurrence Download

description: A dataset containing 1 species occurrences available in GBIF matching the query:
{
 "TaxonKey" : [
 "is Plebeia cora Ayala, 1999"
 ]
}

 The dataset includes 1 records from 1 constituent datasets; see https://api.gbif.org/v1/occurrence/download/0006839-190918142434337/datasets/export for details.
 
Data from some individual datasets included in this download may be licensed under less restrictive terms.
DOI: 10.15468/dl.vby8x7
title: Occurrence Download

description: A dataset containing 38 species occurrences available in GBIF matching the query:
{
 "TaxonKey" : [
 "is Antidesma comptum Tul."
 ]
}

 The dataset includes 38 records from 11 constituent datasets; see https://api.gbif.org/v1/occurrence/download/0008559-240229165702484/datasets/export for details.
 
Data from some individual datasets included in this download may be licensed under less restrictive terms.
DOI: 10.15468/dl.3wuxqh
title: Occurrence Download

description: A dataset containing 196407 species occurrences available in GBIF matching the query:
{
 "and" : [
 "TaxonKey is one of (Quercus robur L.)",
 "BasisOfRecord is one of (Specimen, Human Observation, Observation, Machine Observation)",
 "Country is Sweden",
 "HasCoordinate is true",
 "HasGeospatialIssue is false"
 ]
}

 The dataset includes 196407 records from 22 constituent datasets; see https://api.gbif.org/v1/occurrence/download/0068700-231120084113126/datasets/export for details.
 
Data from some individual datasets included in this download may be licensed under less restrictive terms.
DOI: 10.15468/dl.pyk4dh
title: Occurrence Download

description: A dataset containing 0 species occurrences available in GBIF matching the query:
{
 "and" : [
 "TaxonKey is one of (Astragalus alpinus Vill., 1786)",
 "HasCoordinate is true",
 "HasGeospatialIssue is false",
 "BasisOfRecord is one of (Human Observation, Observation, Specimen)",
 "Year is greater than 1945"
 ]
}

 The dataset includes 0 records from 0 constituent datasets; see https://api.gbif.org/v1/occurrence/download/0278260-200613084148143/datasets/export for details.
DOI: 10.15468/dl.2cwvv6
title: Occurrence Download

description: A dataset containing 27 species occurrences available in GBIF matching the query:
{
 "and" : [
 {
 "or" : [
 "Country is Colombia",
 "Country is Panama"
 ]
 },
 "TaxonKey is Inga saffordiana Pittier"
 ]
}

 The dataset includes 27 records from 9 constituent datasets; see https://api.gbif.org/v1/occurrence/download/0289997-200613084148143/datasets/export for details.
 
Data from some individual datasets included in this download may be licensed under less restrictive terms.