cometadata/datacite-titles-descriptions-related-identifiers huggingface dataset:
DOI: 10.15468/dl.uzdbb9
title: Occurrence Download

description: A dataset containing 5 species occurrences available in GBIF matching the query:
{
 "and" : [
 {
 "and" : [
 "HasGeospatialIssue is false",
 "HasCoordinate is true",
 "OccurrenceStatus is Present",
 {
 "not" : {
 "BasisOfRecord" : [
 "is one of (Fossil, Living Specimen)"
 ]
 }
 }
 ]
 },
 "TaxonKey is Ansonia malayana Inger, 1960"
 ]
}

 The dataset includes 5 records from 4 constituent datasets; see https://api.gbif.org/v1/occurrence/download/0040631-240229165702484/datasets/export for details.
 
Data from some individual datasets included in this download may be licensed under less restrictive terms.
DOI: 10.15468/dl.cvufvk
title: Occurrence Download

description: A dataset containing 20 species occurrences available in GBIF matching the query:
{
 "TaxonKey" : [
 "is Chamaesyce olowaluana (Sherff) Croizat & O.Deg."
 ]
}

 The dataset includes 20 records from 2 constituent datasets; see https://api.gbif.org/v1/occurrence/download/0008864-160910150852091/datasets/export for details.
 
Data from some individual datasets included in this download may be licensed under less restrictive terms.
DOI: 10.15468/dl.vzp5vw
title: Occurrence Download

description: A dataset containing 3348 species occurrences available in GBIF matching the query:
{
 "and" : [
 {
 "and" : [
 "HasGeospatialIssue is false",
 "HasCoordinate is true",
 "OccurrenceStatus is Present",
 {
 "not" : {
 "BasisOfRecord" : [
 "is one of (Fossil, Living Specimen)"
 ]
 }
 }
 ]
 },
 "TaxonKey is Dendrocopos atratus (Blyth, 1849)"
 ]
}

 The dataset includes 3348 records from 15 constituent datasets; see https://api.gbif.org/v1/occurrence/download/0023803-240314170635999/datasets/export for details.
 
Data from some individual datasets included in this download may be licensed under less restrictive terms.
DOI: 10.15468/dl.bmcpgx
title: Occurrence Download

description: A dataset containing 23 species occurrences available in GBIF matching the query:
{
 "and" : [
 {
 "and" : [
 "HasGeospatialIssue is false",
 "HasCoordinate is true",
 "OccurrenceStatus is Present",
 {
 "not" : {
 "BasisOfRecord" : [
 "is one of (Fossil, Living Specimen)"
 ]
 }
 }
 ]
 },
 "TaxonKey is Boana marianitae (Carrizo, 1992)"
 ]
}

 The dataset includes 23 records from 3 constituent datasets; see https://api.gbif.org/v1/occurrence/download/0040638-240229165702484/datasets/export for details.
 
Data from some individual datasets included in this download may be licensed under less restrictive terms.
DOI: 10.15468/dl.4rfgyp
title: Occurrence Download

description: A dataset containing 250 species occurrences available in GBIF matching the query:
{
 "TaxonKey" : [
 "is Malaxis cogniauxiana (Schltr.) Pabst"
 ]
}

 The dataset includes 250 records from 37 constituent datasets; see https://api.gbif.org/v1/occurrence/download/0008864-160526112335914/datasets/export for details.
 
Data from some individual datasets included in this download may be licensed under less restrictive terms.
DOI: 10.15468/dl.hw37pj
title: Occurrence Download

description: A dataset containing 246 species occurrences available in GBIF matching the query:
{
 "and" : [
 {
 "and" : [
 "HasGeospatialIssue is false",
 "HasCoordinate is true",
 "OccurrenceStatus is Present",
 {
 "not" : {
 "BasisOfRecord" : [
 "is one of (Fossil, Living Specimen)"
 ]
 }
 }
 ]
 },
 "TaxonKey is Arthroleptella lightfooti (Boulenger, 1910)"
 ]
}

 The dataset includes 246 records from 8 constituent datasets; see https://api.gbif.org/v1/occurrence/download/0042895-240229165702484/datasets/export for details.
 
Data from some individual datasets included in this download may be licensed under less restrictive terms.
DOI: 10.15468/dl.j244jw
title: Occurrence Download

description: A dataset containing 38 species occurrences available in GBIF matching the query:
{
 "TaxonKey" : [
 "is Diospyros madecassa H.Perrier"
 ]
}

 The dataset includes 38 records from 6 constituent datasets; see https://api.gbif.org/v1/occurrence/download/0023805-240314170635999/datasets/export for details.
 
Data from some individual datasets included in this download may be licensed under less restrictive terms.
DOI: 10.15468/dl.wepdbb
title: Occurrence Download

description: A dataset containing 200702 species occurrences available in GBIF matching the query:
{
 "and" : [
 "TaxonKey is Pinus sylvestris L.",
 {
 "or" : [
 "BasisOfRecord is Human Observation",
 "BasisOfRecord is Observation",
 "BasisOfRecord is Machine Observation"
 ]
 },
 "HasCoordinate is true",
 "HasGeospatialIssue is false",
 "Year is greater than or equal to 1970",
 "Year is less than or equal to 2017",
 "DecimalLongitude is greater than or equal to -15",
 "DecimalLongitude is less than or equal to 40",
 "DecimalLatitude is greater than or equal to 30",
 "DecimalLatitude is less than or equal to 75"
 ]
}

 The dataset includes 200702 records from 376 constituent datasets; see https://api.gbif.org/v1/occurrence/download/0008864-171124123535762/datasets/export for details.
 
Data from some individual datasets included in this download may be licensed under less restrictive terms.
DOI: 10.15468/dl.aw856g
title: Occurrence Download

description: A dataset containing 101 species occurrences available in GBIF matching the query:
{
 "TaxonKey" : [
 "is Descurainia lemsii Bramwell"
 ]
}

 The dataset includes 101 records from 28 constituent datasets; see https://api.gbif.org/v1/occurrence/download/0023840-240314170635999/datasets/export for details.
 
Data from some individual datasets included in this download may be licensed under less restrictive terms.
DOI: 10.15468/dl.u3yway
title: Occurrence Download

description: A dataset containing 314 species occurrences available in GBIF matching the query:
{
 "Geometry" : [
 "POLYGON ((96 79.70103, 100.278 79.70103, 100.278 81.00856, 96 81.00856, 96 79.70103))"
 ]
}

 The dataset includes 314 records from 12 constituent datasets; see https://api.gbif.org/v1/occurrence/download/0042932-240229165702484/datasets/export for details.
 
Data from some individual datasets included in this download may be licensed under less restrictive terms.
DOI: 10.15468/dl.gw7cwf
title: Occurrence Download

description: A dataset containing 406133 species occurrences available in GBIF matching the query:
{
 "Country" : [
 "is Uganda"
 ]
}

 The dataset includes 406133 records from 424 constituent datasets; see https://api.gbif.org/v1/occurrence/download/0008864-171219132708484/datasets/export for details.
 
Data from some individual datasets included in this download may be licensed under less restrictive terms.
DOI: 10.24435/materialscloud:qx-bf
title: Band alignments through quasiparticle self-consistent 𝐺𝑊 with efficient vertex corrections

description: Within many-body perturbation theory, we calculate band offsets for a set of epitaxial interfaces, including AlP/GaP, AlAs/GaAs, Ge/AlAs, Ge/GaAs, Ge/ZnSe, Si/GaP, ZnSe/GaAs, and CaF2/Si. We consider various quasiparticle self-consistent 𝐺⁡𝑊 schemes with or without including vertex functions. In particular, we consider two types of effective vertex functions complying with the Ward identity in the long range, one of which additionally carries a short-range part, which has been found to improve ionization potentials. The obtained band offsets correspond to model interface structures that match the experimental lattice parameters of the bulk components. Strain, zero-phonon renormalization, and spin-orbit coupling effects are properly accounted for. For the band offsets of the semiconductor-semiconductor interfaces, all the self-consistent 𝐺⁡𝑊 schemes yield similar mean absolute errors on the order of 0.2 eV. In the case of the CaF2/Si interface, the calculated band offsets show large indetermination spanning an interval up to 1 eV, the discrepancy with respect to experiment being correlated with the error by which the band gap of the insulator is described. Through 𝐺⁡𝑊 calculations for selected interface models, we further assess the effect of self-consistently updating the charge density. Our result support the practice of relying on semilocal or hybrid-functional schemes for determining the line-up potential.
DOI: 10.24435/materialscloud:cf-tq
title: Crystallization kinetics in Ge-rich GexTe alloys from large scale simulations with a machine-learned interatomic potential

description: A machine-learned interatomic potential for Ge-rich GexTe alloys has been developed aiming at uncovering the kinetics of phase separation and crystallization in these materials. The results are of interest for the operation of embedded phase change memories which exploits Ge-enrichment of GeSbTe alloys to raise the crystallization temperature. The potential is generated by fitting a large database of energies and forces computed within Density Functional Theory with the neural network scheme implemented in the DeePMD-kit package. The potential is highly accurate and suitable to describe the structural and dynamical properties of the liquid, amorphous and crystalline phases of the wide range of compositions from pure Ge and stoichiometric GeTe to the Ge-rich Ge₂Te alloy. Large scale molecular dynamics simulations revealed a crystallization mechanism which depends on temperature. At 600 K, segregation of most of Ge in excess was observed to occur on the ns time scale followed by crystallization of nearly stoichiometric GeTe regions. At 500 K, nucleation of crystalline GeTe was observed to occur before phase separation, followed by a slow crystal growth due to the concurrent expulsion of Ge in excess.
DOI: 10.24435/materialscloud:zj-ys
title: Crystallization kinetics in Ge-rich GexTe alloys from large scale simulations with a machine-learned interatomic potential

description: A machine-learned interatomic potential for Ge-rich GexTe alloys has been developed aiming at uncovering the kinetics of phase separation and crystallization in these materials. The results are of interest for the operation of embedded phase change memories which exploits Ge-enrichment of GeSbTe alloys to raise the crystallization temperature. The potential is generated by fitting a large database of energies and forces computed within Density Functional Theory with the neural network scheme implemented in the DeePMD-kit package. The potential is highly accurate and suitable to describe the structural and dynamical properties of the liquid, amorphous and crystalline phases of the wide range of compositions from pure Ge and stoichiometric GeTe to the Ge-rich Ge₂Te alloy. Large scale molecular dynamics simulations revealed a crystallization mechanism which depends on temperature. At 600 K, segregation of most of Ge in excess was observed to occur on the ns time scale followed by crystallization of nearly stoichiometric GeTe regions. At 500 K, nucleation of crystalline GeTe was observed to occur before phase separation, followed by a slow crystal growth due to the concurrent expulsion of Ge in excess.
DOI: 10.24435/materialscloud:ta-hg
title: Non-Hermitian Mott skin effect

description: This file contains all the data, as well as the code necessary to reproduce the exact diagonalization calculations in Phys. Rev. Lett. 133, 076502 (2024) in which the phenomenon of a non-Hermitian Mott skin effect is introduced theoretically. Skin effects are a key differentiating feature of (one-dimensional) non-Hermitian systems, and are characterized by the exponential accumulation of charge towards one side of the system in all its eigenstates. It appears in noninteracting systems. This work finds a novel analogous effect which is specific to interacting quantum particles, where the particle density is constant, but a flavour/spin degree of freedom shows the exponential localization. This is demonstrated with exact diagonalization calculations of the non-Hermitian many-body Hamiltonian as well as the time-evolution of the Lindbladian.
DOI: 10.24435/materialscloud:7h-ya
title: Non-Hermitian Mott skin effect

description: This file contains all the data, as well as the code necessary to reproduce the exact diagonalization calculations in Phys. Rev. Lett. 133, 076502 (2024) in which the phenomenon of a non-Hermitian Mott skin effect is introduced theoretically. Skin effects are a key differentiating feature of (one-dimensional) non-Hermitian systems, and are characterized by the exponential accumulation of charge towards one side of the system in all its eigenstates. It appears in noninteracting systems. This work finds a novel analogous effect which is specific to interacting quantum particles, where the particle density is constant, but a flavour/spin degree of freedom shows the exponential localization. This is demonstrated with exact diagonalization calculations of the non-Hermitian many-body Hamiltonian as well as the time-evolution of the Lindbladian.
DOI: 10.24435/materialscloud:d5-x1
title: Anisotropic superconductivity in the quasi-one-dimensional superconductor

description: The intermetallic quasi-one-dimensional binary superconductor V2Ga5 was recently found to exhibit a topologically nontrivial normal state, making it a natural candidate for a topological superconductor.
By combining dc-magnetization, nuclear magnetic resonance, and muon-spin rotation (µSR) measurements on high-quality V2Ga5 single crystals, we investigate the electronic properties of its normal- and superconducting ground states. NMR measurements in the normal state indicate a strong anisotropy in both the line shifts and the relaxation rates. Such anisotropy persists also in the superconducting state, as shown by the magnetization and µSR-spectroscopy results. In the latter case, data collected at different temperatures, pressures, and directions of the magnetic field (with respect to the crystalline axes) evidence a fully-gapped, strongly anisotropic superconductivity. At the same time, hydrostatic pressure is shown to only lower the Tc value, but not to change the superfluid density nor its temperature dependence. Lastly, we discuss the search for topological signatures in the normal state of V2Ga5, as well as a peak splitting in the FFT of the µSR spectrum, possibly related to an unconventional vortex lattice. Our results suggest that V2Ga5 is a novel system, whose anisotropy plays a key role in determining its unusual electronic properties.
DOI: 10.24435/materialscloud:zb-z2
title: Anisotropic superconductivity in the quasi-one-dimensional superconductor

description: The intermetallic quasi-one-dimensional binary superconductor V2Ga5 was recently found to exhibit a topologically nontrivial normal state, making it a natural candidate for a topological superconductor.
By combining dc-magnetization, nuclear magnetic resonance, and muon-spin rotation (µSR) measurements on high-quality V2Ga5 single crystals, we investigate the electronic properties of its normal- and superconducting ground states. NMR measurements in the normal state indicate a strong anisotropy in both the line shifts and the relaxation rates. Such anisotropy persists also in the superconducting state, as shown by the magnetization and µSR-spectroscopy results. In the latter case, data collected at different temperatures, pressures, and directions of the magnetic field (with respect to the crystalline axes) evidence a fully-gapped, strongly anisotropic superconductivity. At the same time, hydrostatic pressure is shown to only lower the Tc value, but not to change the superfluid density nor its temperature dependence. Lastly, we discuss the search for topological signatures in the normal state of V2Ga5, as well as a peak splitting in the FFT of the µSR spectrum, possibly related to an unconventional vortex lattice. Our results suggest that V2Ga5 is a novel system, whose anisotropy plays a key role in determining its unusual electronic properties.
DOI: 10.24435/materialscloud:3h-sc
title: Crystal nucleation in eutectic Al-Si alloys by machine-learned molecular dynamics

description: Solidification control is crucial in manufacturing technologies, as it determines the microstructureand,  consequently,  the performance of the final product.  Investigating the mechanisms occurring during the early stages of nucleation remains experimentally challenging as it initiates on nanometer length and sub-picoseconds time scales.  Large scale molecular dynamics simulations using machinelearning interatomic potential with quantum accuracy appears the dedicated approach to complex,atomic level, multidimensional mechanisms with local symmetry breaking.  A potential trained ona high-dimensional neural network on density functional theory-based ab initio molecular dynamics(AIMD) trajectories for liquid and undercooled states for Al-Si binary alloys enables us to study the  nucleation  mechanisms  occurring  at  the  early  stages  from  the  liquid  phase  near  the  eutectic composition.  Our results indicate that nucleation starts with Al at hypoeutectic compositions and with Si at hypereutectic compositions.  Whereas Al nuclei grow in a globular shape, Si ones grow with polygonal faceting, whose underlying mechanisms are further discussed.
DOI: 10.24435/materialscloud:bq-g5
title: Crystal nucleation in eutectic Al-Si alloys by machine-learned molecular dynamics

description: Solidification control is crucial in manufacturing technologies, as it determines the microstructureand,  consequently,  the performance of the final product.  Investigating the mechanisms occurring during the early stages of nucleation remains experimentally challenging as it initiates on nanometer length and sub-picoseconds time scales.  Large scale molecular dynamics simulations using machinelearning interatomic potential with quantum accuracy appears the dedicated approach to complex,atomic level, multidimensional mechanisms with local symmetry breaking.  A potential trained ona high-dimensional neural network on density functional theory-based ab initio molecular dynamics(AIMD) trajectories for liquid and undercooled states for Al-Si binary alloys enables us to study the  nucleation  mechanisms  occurring  at  the  early  stages  from  the  liquid  phase  near  the  eutectic composition.  Our results indicate that nucleation starts with Al at hypoeutectic compositions and with Si at hypereutectic compositions.  Whereas Al nuclei grow in a globular shape, Si ones grow with polygonal faceting, whose underlying mechanisms are further discussed.
DOI: 10.24435/materialscloud:q2-5t
title: Bulk band structure of RuO₂ measured with soft X-ray angle-resolved photoemission spectroscopy

description: Altermagnetism exhibits unique physical properties such as spin-momentum locking, anomalous Hall effect, nontrivial topological phase, and giant magnetoresistance. Among all the predicted candidates, several room temperature altermagnets are suggested to host significant potential applications. RuO₂ has been proposed as the most promising candidate. However, recently, there is intense debate about whether RuO₂ exhibits magnetic order or not. Experiments by several different technologies claim the collinear magnetic order and spin splitting induced effects. However, very recent μSR results reveal no magnetic order in RuO₂ which indicates that the time reversal symmetry is not broken. Direct observation of the high-resolution bulk band structure is absent up to date, but essential to investigate the electronic structure of RuO₂. In this study, utilizing soft X-ray ARPES, we report systematic direct experimental observation of bulk band structure of RuO₂. We observed signature of bulk band splitting induced by unknown symmetry broken. The ARPES data and calculated band structureare attached in this record.
DOI: 10.24435/materialscloud:cx-jw
title: Bulk band structure of RuO₂ measured with soft X-ray angle-resolved photoemission spectroscopy

description: Altermagnetism exhibits unique physical properties such as spin-momentum locking, anomalous Hall effect, nontrivial topological phase, and giant magnetoresistance. Among all the predicted candidates, several room temperature altermagnets are suggested to host significant potential applications. RuO₂ has been proposed as the most promising candidate. However, recently, there is intense debate about whether RuO₂ exhibits magnetic order or not. Experiments by several different technologies claim the collinear magnetic order and spin splitting induced effects. However, very recent μSR results reveal no magnetic order in RuO₂ which indicates that the time reversal symmetry is not broken. Direct observation of the high-resolution bulk band structure is absent up to date, but essential to investigate the electronic structure of RuO₂. In this study, utilizing soft X-ray ARPES, we report systematic direct experimental observation of bulk band structure of RuO₂. We observed signature of bulk band splitting induced by unknown symmetry broken. The ARPES data and calculated band structureare attached in this record.
DOI: 10.24435/materialscloud:ka-8a
title: Dataset of 80,000 solvated joint-DFT free energies for ORR on spinel-oxide (100) and (111) facets

description: Earth-abundant spinel oxides are promising alkaline oxygen-reduction catalysts, yet mechanistic models still invoke a vacuum-DFT associative *OOH/*OO route. Here we combine >80,000 fully solvated joint-DFT calculations to map oxygen-reduction energetics across 442 Al-, Co-, Cr-, Fe-, Ga-, Mn-, Ni- and Zn-containing spinels on the (100) and (111) facets. Associative intermediates are >0.5 eV less stable than *OH/H states, revealing a four-step dissociative cycle in which surface-hydrogen passivation shuttles protons. These results establish solvated high-throughput DFT as a predictive lens on the kinetic oxygen-reduction limit of spinel oxides.
DOI: 10.5281/zenodo.15728300
title: Westernblod_Backup_CVRL_bis_5.2025_Part2
DOI: 10.24435/materialscloud:84-q2
title: Dataset of 80,000 solvated joint-DFT free energies for ORR on spinel-oxide (100) and (111) facets

description: Earth-abundant spinel oxides are promising alkaline oxygen-reduction catalysts, yet mechanistic models still invoke a vacuum-DFT associative *OOH/*OO route. Here we combine >80,000 fully solvated joint-DFT calculations to map oxygen-reduction energetics across 442 Al-, Co-, Cr-, Fe-, Ga-, Mn-, Ni- and Zn-containing spinels on the (100) and (111) facets. Associative intermediates are >0.5 eV less stable than *OH/H states, revealing a four-step dissociative cycle in which surface-hydrogen passivation shuttles protons. These results establish solvated high-throughput DFT as a predictive lens on the kinetic oxygen-reduction limit of spinel oxides.