cometadata/datacite-titles-descriptions-related-identifiers huggingface dataset:
DOI: 10.5281/zenodo.18342153
title: Stacking-Controlled Magnetic Exchange and Magnetoelectric Coupling in Bilayer CrI_2

description: We use a first-principles calculations approach to reveal the electronic and magnetic properties of chromium diiodide (CrI_2) bilayers and establish a hierarchy of magnetic interactions across stable registries. The monolayer presents a x-stripe antiferromagnetic ground state, while in bilayers the BA' stacking is the global minimum with antiparallel interlayer magnetic alignment. Bilayer configurations strengthen the exchange in the plane by 6 % to 10 %, while the exchange between layers is registry-dependent. The symmetry of each stacking configuration allows for anisotropic interactions. Dzyaloshinskii-Moriya terms appear in structures without inversion symmetry, which in this case also generates in-plane polarizations of up to ~10  C/cm^2, resulting in direct magnetoelectric coupling that is absent in centrosymmetric monolayers. Thus, stacking acts both as a selector of exchange anisotropy and as a driver of magnetoelectricity. Our results show that bilayer CrI_2 can be mechanically reconfigured through interlayer sliding, with energy differences between stacking orders (25-50 meV/f.u.) that are compatible with experimental actuation. Tunable magnetism and register-dependent polarization offer promising opportunities for novel spintronic devices, where structural transitions can affect both magnetic states and electric dipoles. https://arxiv.org/abs/2509.22827
DOI: 10.5281/zenodo.18342154
title: Stacking-Controlled Magnetic Exchange and Magnetoelectric Coupling in Bilayer CrI_2

description: We use a first-principles calculations approach to reveal the electronic and magnetic properties of chromium diiodide (CrI_2) bilayers and establish a hierarchy of magnetic interactions across stable registries. The monolayer presents a x-stripe antiferromagnetic ground state, while in bilayers the BA' stacking is the global minimum with antiparallel interlayer magnetic alignment. Bilayer configurations strengthen the exchange in the plane by 6 % to 10 %, while the exchange between layers is registry-dependent. The symmetry of each stacking configuration allows for anisotropic interactions. Dzyaloshinskii-Moriya terms appear in structures without inversion symmetry, which in this case also generates in-plane polarizations of up to ~10  C/cm^2, resulting in direct magnetoelectric coupling that is absent in centrosymmetric monolayers. Thus, stacking acts both as a selector of exchange anisotropy and as a driver of magnetoelectricity. Our results show that bilayer CrI_2 can be mechanically reconfigured through interlayer sliding, with energy differences between stacking orders (25-50 meV/f.u.) that are compatible with experimental actuation. Tunable magnetism and register-dependent polarization offer promising opportunities for novel spintronic devices, where structural transitions can affect both magnetic states and electric dipoles. https://arxiv.org/abs/2509.22827
DOI: 10.5683/sp3/9bcyrw
title: IEA CO2 Emissions from Fuel Combustion Statistics: Greenhouse Gas Emissions from Energy. Energy-related fugitive emissions, 1971-2018

description: This dataset comprises statistics on the release of gases due to coal, oil, and natural gas mining activity. This includes production, flaring, venting, and distribution. [Data edition 2020]
description: IEA CO2 Emissions from Fuel Combustion Statistics
description: Series Name Change
DOI: 10.5281/zenodo.15789345
title: Dataset for: Non-canonical reductive nitrous oxide production pathways in a seasonally stratified lake basin

description: Dataset containing results of 15N tracer and natural abundance (NA) incubation experiments, CTD data and in situ concentrations and isotopic values of nirous oxide and nutrients in Lake Lugano Sout Basin, accompanying the mansucript "Non-canonical reductive nitrous oxide production pathways in a seasonally stratified lake basin".Files:- NA incubation experiments- 15N incubation experiments- Depth profiles
DOI: 10.5281/zenodo.15789346
title: Dataset for: Non-canonical reductive nitrous oxide production pathways in a seasonally stratified lake basin

description: Dataset containing results of 15N tracer and natural abundance (NA) incubation experiments, CTD data and in situ concentrations and isotopic values of nirous oxide and nutrients in Lake Lugano Sout Basin, accompanying the mansucript "Non-canonical reductive nitrous oxide production pathways in a seasonally stratified lake basin".Files:- NA incubation experiments- 15N incubation experiments- Depth profiles
DOI: 10.5281/zenodo.18340682
title: Test Split of the CBED Dataset for Parameter Identification

description: # CBED-ML: A Synthetic Dataset for Uncertainty-Aware Inverse Problems in Electron Diffraction

This repository contains the **test split** of a high-fidelity synthetic dataset for **Convergent Beam Electron Diffraction (CBED)** parameter inference in magnesium diboride (MgB₂). The data was generated to evaluate **uncertainty quantification (UQ)** in scientific inverse problems, where parameters vary in their observability—from tightly constrained (e.g., sample geometry) to weakly constrained (e.g., thermal vibration tensors).

## File Structure

```f11f/├── f11f_cbed0090000.ity.h5├── f11f_cbed0091000.ity.h5├── ...├── f11f_cbed0099000.ity.h5└── labels.csv```

### HDF5 Files (`*.h5`)Each `.h5` file contains **1,000 samples**:- `images`: `(1000, 320, 320)` — simulated CBED patterns (float16), preprocessed to 320×320 pixels  - `filenames`: `(1000,)` — string identifiers (e.g., `"sample_00000.npz"`), used to join with `labels.csv`

### Labels (`labels.csv`)Columns:- `file`: base name of the corresponding `.h5` file (e.g., `f11f_cbed0090000.ity`)- `conf_0` to `conf_11`: **12 normalized physical parameters** (see below)- `label`: **sample thickness** in Ångströms (Å)

> **Full 13-parameter vector** = `[conf_0, ..., conf_11, label]`

All values in `labels.csv` are in **physical units**, not normalized.

##  Parameter Definitions

| Index | Symbol | Description | Units ||-------|--------|-------------|-------|| `conf_0–2` | `u₁₁(Mg)`, `u₃₃(Mg)`, `u₁₂(Mg)` | Mg Debye-Waller factors (thermal vibration) | pm² || `conf_3–5` | `u₁₁(B)`, `u₃₃(B)`, `u₁₂(B)` | B Debye-Waller factors | pm² || `conf_6–9` | `F₀₀₁`, `F₁₀₀`, `F₁₀₁`, `F₀₀₂` | Low-order structure factors (valence electron distribution) | Å || `conf_10–11` | `θₓ`, `θᵧ` | Beam tilt angles | degrees || `label` | `t` | Sample thickness | Å |

Parameter ranges follow uniform sampling over physically realistic intervals (see paper Appendix, Table 1).
DOI: 10.5281/zenodo.18340683
title: Test Split of the CBED Dataset for Parameter Identification

description: # CBED-ML: A Synthetic Dataset for Uncertainty-Aware Inverse Problems in Electron Diffraction

This repository contains the **test split** of a high-fidelity synthetic dataset for **Convergent Beam Electron Diffraction (CBED)** parameter inference in magnesium diboride (MgB₂). The data was generated to evaluate **uncertainty quantification (UQ)** in scientific inverse problems, where parameters vary in their observability—from tightly constrained (e.g., sample geometry) to weakly constrained (e.g., thermal vibration tensors).

## File Structure

```f11f/├── f11f_cbed0090000.ity.h5├── f11f_cbed0091000.ity.h5├── ...├── f11f_cbed0099000.ity.h5└── labels.csv```

### HDF5 Files (`*.h5`)Each `.h5` file contains **1,000 samples**:- `images`: `(1000, 320, 320)` — simulated CBED patterns (float16), preprocessed to 320×320 pixels  - `filenames`: `(1000,)` — string identifiers (e.g., `"sample_00000.npz"`), used to join with `labels.csv`

### Labels (`labels.csv`)Columns:- `file`: base name of the corresponding `.h5` file (e.g., `f11f_cbed0090000.ity`)- `conf_0` to `conf_11`: **12 normalized physical parameters** (see below)- `label`: **sample thickness** in Ångströms (Å)

> **Full 13-parameter vector** = `[conf_0, ..., conf_11, label]`

All values in `labels.csv` are in **physical units**, not normalized.

##  Parameter Definitions

| Index | Symbol | Description | Units ||-------|--------|-------------|-------|| `conf_0–2` | `u₁₁(Mg)`, `u₃₃(Mg)`, `u₁₂(Mg)` | Mg Debye-Waller factors (thermal vibration) | pm² || `conf_3–5` | `u₁₁(B)`, `u₃₃(B)`, `u₁₂(B)` | B Debye-Waller factors | pm² || `conf_6–9` | `F₀₀₁`, `F₁₀₀`, `F₁₀₁`, `F₀₀₂` | Low-order structure factors (valence electron distribution) | Å || `conf_10–11` | `θₓ`, `θᵧ` | Beam tilt angles | degrees || `label` | `t` | Sample thickness | Å |

Parameter ranges follow uniform sampling over physically realistic intervals (see paper Appendix, Table 1).
DOI: 10.15468/dl.h4hm84
title: Occurrence Download

description: A dataset containing 4922590 species occurrences available in GBIF matching the query:
{
 "and" : [
 "Country is Colombia",
 "Geometry POLYGON((-74.85 9.964,-72.528 9.964,-72.528 11.842,-74.85 11.842,-74.85 9.964))",
 "HasCoordinate is true",
 "HasGeospatialIssue is false",
 "OccurrenceStatus is Present"
 ]
}

 The dataset includes 4922590 records from 912 constituent datasets; see https://api.gbif.org/v1/occurrence/download/0005124-260120142942310/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.29946452
title: Extended Data Fig. 2d - Rf 0.24 - Scan 266 (ORB63910)

description: Extended Data Fig. 2d - Rf 0.24 - Scan 266 (ORB63910)
DOI: 10.6084/m9.figshare.29946452.v1
title: Extended Data Fig. 2d - Rf 0.24 - Scan 266 (ORB63910)

description: Extended Data Fig. 2d - Rf 0.24 - Scan 266 (ORB63910)
DOI: 10.15468/dl.h7pe3r
title: Occurrence Download

description: A dataset containing 605823 species occurrences available in GBIF matching the query:
{
 "and" : [
 "TaxonKey is one of (Abies amabilis, Abies balsamea, Abies chensiensis, Abies delavayi, Abies densa, Abies fabri, Abies fargesii, Abies forrestii, Abies kawakamii, Abies lasiocarpa, Abies mariesii, Abies nordmanniana, Abies pindrow, Abies sibirica, Abies spectabilis, Abies squamata, Abies veitchii, Agarista salicifolia, Betula ermanii, Betula litwinowii, Betula neoalaskana, Betula papyrifera, Betula pendula, Betula platyphylla, Betula pubescens, Betula utilis, Cunninghamia lanceolata, Cupressus nootkatensis, Dracophyllum longifolium, Dracophyllum traversii, Erica arborea, Erica mannii, Erica trimera, Erica ventricosa, Eucalyptus coccifera, Eucalyptus pauciflora, Fagus longipetiolata, Fagus sylvatica, Halocarpus biformis, Juniperus communis, Juniperus excelsa, Juniperus polycarpos, Juniperus przewalskii, Juniperus pseudosabina, Juniperus saltuaria, Juniperus semiglobosa, Juniperus tibetica, Larix decidua, Larix gmelinii, Larix griffithii, Larix kaempferi, Larix laricina, Larix lyallii, Larix mastersiana, Larix potaninii, Larix sibirica, Libocedrus bidwillii, Myrica arborea, Nothofagus antarctica, Nothofagus betuloides, Nothofagus menziesii, Nothofagus pumilio, Nothofagus solandri, Picea abies, Picea asperata, Picea crassifolia, Picea engelmannii, Picea glauca, Picea jezoensis, Picea likiangensis, Picea mariana, Picea meyeri, Picea obovata, Picea purpurea, Picea schrenkiana, Picea smithiana, Pinus albicaulis, Pinus aristata, Pinus armandii, Pinus balfouriana, Pinus canariensis, Pinus cembra, Pinus contorta, Pinus flexilis, Pinus hartwegii, Pinus heldreichii, Pinus longaeva, Pinus mugo, Pinus nigra, Pinus parviflora, Pinus peuce, Pinus sibirica, Pinus sylvestris, Pinus uncinata, Pinus wallichiana, Polylepis besseri, Polylepis incana, Polylepis pauta, Polylepis pepei, Polylepis quadrijuga, Polylepis reticulata, Polylepis sericea, Polylepis subsericans, Polylepis tomentella, Polylepis weberbaueri, Pseudotsuga menziesii, Quercus aquifolioides, Sorbus aucuparia, Sorbus commixta, Sorbus discolor, Sorbus foliolosa, Sorbus microphylla, Tsuga diversifolia, Tsuga mertensiana)",
 "Year is greater than or equal to 1990",
 "CoordinateUncertaintyInMeters is less than or equal to 1000",
 {
 "not" : {
 "BasisOfRecord" : [
 "is Fossil"
 ]
 }
 },
 "Elevation is not null"
 ]
}

 The dataset includes 605823 records from 383 constituent datasets; see https://api.gbif.org/v1/occurrence/download/0031392-251025141854904/datasets/export for details.
 
Data from some individual datasets included in this download may be licensed under less restrictive terms.
DOI: 10.15468/dl.u3fehq
title: Occurrence Download

description: A dataset containing 3920 species occurrences available in GBIF matching the query:
{
 "and" : [
 "BasisOfRecord is one of (Human Observation, Material sample, Specimen)",
 "Continent is one of (Africa, Asia, Oceania, Europe, North America, South America)",
 "HasCoordinate is true",
 "HasGeospatialIssue is false",
 "OccurrenceStatus is Present",
 "TaxonKey is Tetramorium bicarinatum"
 ]
}

 The dataset includes 3920 records from 71 constituent datasets; see https://api.gbif.org/v1/occurrence/download/0031406-251025141854904/datasets/export for details.
 
Data from some individual datasets included in this download may be licensed under less restrictive terms.
DOI: 10.5281/zenodo.17563538
title: Dataset for: "Comparative evaluation of productivity between green, brown, and red macroalgal genera across a water depth gradient in the Mediterranean Sea"

description: This dataset contains the raw data and R-Scripts used in the study:

“Comparative evaluation of productivity between green, brown, and red macroalgal genera across a water depth gradient in the Mediterranean Sea” submitted to Marine Biology (Springer Nature).

This repository includes:





An excel file containing the original data used for all analyses and figures.




R scripts used for data cleaning, statistical analyses, and figure generation.




A README.txt file describing how to reproduce the results and figures presented in the manuscript.



The data are made available licensed under the Creative Commons Attribution 4.0 International (CC BY 4.0) license.

Please cite as:[P. Brühl & S. Wanner] ([2025]) Dataset for: ["Comparative evaluation of productivity between green, brown, and red macroalgal genera across a water depth gradient in the Mediterranean Sea"], Zenodo. [10.5281/zenodo.17563539]
DOI: 10.5281/zenodo.17563539
title: Dataset for: "Comparative evaluation of productivity between green, brown, and red macroalgal genera across a water depth gradient in the Mediterranean Sea"

description: This dataset contains the raw data and R-Scripts used in the study:

“Comparative evaluation of productivity between green, brown, and red macroalgal genera across a water depth gradient in the Mediterranean Sea” submitted to Marine Biology (Springer Nature).

This repository includes:





An excel file containing the original data used for all analyses and figures.




R scripts used for data cleaning, statistical analyses, and figure generation.




A README.txt file describing how to reproduce the results and figures presented in the manuscript.



The data are made available licensed under the Creative Commons Attribution 4.0 International (CC BY 4.0) license.

Please cite as:[P. Brühl & S. Wanner] ([2025]) Dataset for: ["Comparative evaluation of productivity between green, brown, and red macroalgal genera across a water depth gradient in the Mediterranean Sea"], Zenodo. [10.5281/zenodo.17563539]
DOI: 10.5281/zenodo.17595109
title: Supplementary dataset for "Water scarcity risks in ammonia fertilizer production pose a threat to global food security"

description: The folder contains the output data relative to the paper:

Rosa, L., Citrini, A., Terlouw, T., and Mingolla, S. Water scarcity risks in ammonia fertilizer production pose a threat to global food security

 

Contact: lrosa@carnegiescience.edu

 

 

##List of files - Figure_1.csv: Water consumption impacts (m³ water/t NH₃) for ammonia production via SMR and coal gasification pathways, including direct consumption and disaggregated supply chain components.

 

- Figure_2.csv: Annual water consumption (m³/year) by country for ammonia production (focus on top 20 producers), disaggregated by hydrogen feedstock source (natural gas vs coal).

 

- Figure_3.csv: Facility-level ammonia production data: location, capacity (kt NH₃/y), feedstock (natural gas vs coal), water consumption [m³ water], number of months and production losses (%) due to water scarcity under current conditions (2025), including median and interquartile ranges (25th–75th percentile).

 

- Figure_4.csv: Estimated number of people fed per year by ammonia-based fertilizers produced with and without water scarcity, disaggregated by country and use (domestic vs export), with interquartile ranges (25th–75th percentiles).

 

-Figures_5-6.csv: International transfers of ammonia-based fertilizer produced under water scarcity, showing export flows and associated population fed in importing countries.
DOI: 10.5281/zenodo.17595110
title: Supplementary dataset for "Water scarcity risks in ammonia fertilizer production pose a threat to global food security"

description: The folder contains the output data relative to the paper:

Rosa, L., Citrini, A., Terlouw, T., and Mingolla, S. Water scarcity risks in ammonia fertilizer production pose a threat to global food security

 

Contact: lrosa@carnegiescience.edu

 

 

##List of files - Figure_1.csv: Water consumption impacts (m³ water/t NH₃) for ammonia production via SMR and coal gasification pathways, including direct consumption and disaggregated supply chain components.

 

- Figure_2.csv: Annual water consumption (m³/year) by country for ammonia production (focus on top 20 producers), disaggregated by hydrogen feedstock source (natural gas vs coal).

 

- Figure_3.csv: Facility-level ammonia production data: location, capacity (kt NH₃/y), feedstock (natural gas vs coal), water consumption [m³ water], number of months and production losses (%) due to water scarcity under current conditions (2025), including median and interquartile ranges (25th–75th percentile).

 

- Figure_4.csv: Estimated number of people fed per year by ammonia-based fertilizers produced with and without water scarcity, disaggregated by country and use (domestic vs export), with interquartile ranges (25th–75th percentiles).

 

-Figures_5-6.csv: International transfers of ammonia-based fertilizer produced under water scarcity, showing export flows and associated population fed in importing countries.
DOI: 10.15468/dl.4f8j9v
title: Occurrence Download

description: A dataset containing 892 species occurrences available in GBIF matching the query:
{
 "and" : [
 "GadmGid is one of (ARG, CHL, PRY, URY, FLK, BRA.21_1, BRA.16_1, BRA.24_1)",
 "TaxonKey is Malesherbia"
 ]
}

 The dataset includes 892 records from 35 constituent datasets; see https://api.gbif.org/v1/occurrence/download/0031410-251025141854904/datasets/export for details.
 
Data from some individual datasets included in this download may be licensed under less restrictive terms.
DOI: 10.15468/dl.63h9ha
title: Occurrence Download

description: A dataset containing 1275 species occurrences available in GBIF matching the query:
{
 "and" : [
 "BasisOfRecord is one of (Human Observation, Material sample, Specimen, Material citation)",
 "Continent is one of (Africa, Asia, Oceania, Europe, North America, South America)",
 "HasCoordinate is true",
 "HasGeospatialIssue is false",
 "OccurrenceStatus is Present",
 "TaxonKey is Tetramorium lanuginosum"
 ]
}

 The dataset includes 1275 records from 32 constituent datasets; see https://api.gbif.org/v1/occurrence/download/0031409-251025141854904/datasets/export for details.
 
Data from some individual datasets included in this download may be licensed under less restrictive terms.
DOI: 10.15468/dl.r7bfbt
title: Occurrence Download

description: A dataset containing 309666 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 one of (Thereianthus ixioides, Agathosma dregeana, Agathosma florulenta, Agathosma gnidiflora, Agathosma hirsuta, Aquilegia aurea, Aquilegia montsicciana, Epilobium pallidiflorum, Genista clavata, Gynatrix macrophylla, Dryopteris complanata, Aneilema acuminatum, Dierama robustum, Brodiaea sierrae, Xysmalobium winterbergense, Sarcocaulon flavescens, Sarcocaulon herrei, Lebeckia brevicarpa, Elaeagnus commutata, Epilobium anagallidifolium, Echium handiense, Massonia dregei, Sesleria skipetarum, Ruschia karrachabensis, Ruschia subpaniculata, Tulbaghia leucantha, Conophytum bicarinatum, Conophytum hanae, Aegilops insulae-cypri, Echium velutinum, Saussurea americana, Genista longipes, Genista osmarensis, Genista quadriflora, Gavilea odoratissima, Ricinocarpos pinifolius, Bulbinella divaginata, Aegilops crassa, Aquilegia ophiolithica, Agathosma cordifolia, Agathosma elata, Agathosma minuta, Agathosma sladeniana, Agathosma stilbeoides, Aquilegia amaliae, Aquilegia barbaricina, Aquilegia bernardii, Castela polyandra, Sesleria achtarovii, Epilobium brachycarpum, Epilobium nivale, Ruschia incurvata, Genista ephedroides, Genista amana, Genista florida, Rhynchospora affinis, Sesleria pichiana, Polycarpon succulentum, Rochelia cardiosepala, Epilobium collinum, Epilobium dacicum, Epilobium denticulatum, Echium modestum, Anacyclus linearilobus, Ricinocarpos brevis, Anthoxanthum gracile, Raphionacme palustris, Ruschia exigua, Ruschia montaguensis, Conophytum cupreiflorum, Conophytum tantillum, Echium auberianum, Echium spurium, Gamochaeta serpyllifolia, Eremogone minuartioides, Genista numidica, Genista sakellariadis, Genista valsecchiae, Ricinocarpos marginatus, Paris quadrifolia, Klattia stokoei, Aegilops columnaris, Agathosma acocksii, Agathosma affinis, Agathosma hookeri, Agathosma martiana, Agathosma ovalifolia, Agathosma peglerae, Agathosma robusta, Bonellia nervosa, Epilobium pallidum, Echium sabulicola, Epilobium winkleri, Glossochilus burchellii, Genista sericea, Echium montenielluense, Hydropectis aquatica, Thereianthus elandsmontanus)",
 "Year is greater than or equal to 1950"
 ]
}

 The dataset includes 309666 records from 1311 constituent datasets; see https://api.gbif.org/v1/occurrence/download/0031382-251025141854904/datasets/export for details.
 
Data from some individual datasets included in this download may be licensed under less restrictive terms.
DOI: 10.15468/dl.b5cbms
title: Occurrence Download

description: A dataset containing 12637 species occurrences available in GBIF matching the query:
{
 "and" : [
 "Country is Spain",
 "HasCoordinate is true",
 "HasGeospatialIssue is false",
 "OccurrenceStatus is Present",
 "TaxonKey is Alytes obstetricans (Laurenti, 1768)"
 ]
}

 The dataset includes 12637 records from 40 constituent datasets; see https://api.gbif.org/v1/occurrence/download/0009583-250515123054153/datasets/export for details.
 
Data from some individual datasets included in this download may be licensed under less restrictive terms.
DOI: 10.15468/dl.ada2nm
title: Occurrence Download

description: A dataset containing 200 species occurrences available in GBIF matching the query:
{
 "and" : [
 "Geometry POLYGON((22.58707 46.78792,65.96753 46.78792,65.96753 64.13268,22.58707 64.13268,22.58707 46.78792))",
 "HasCoordinate is true",
 "HasGeospatialIssue is false",
 "OccurrenceStatus is Present",
 "TaxonKey is Brassica nigra (L.) W.D.J.Koch"
 ]
}

 The dataset includes 200 records from 22 constituent datasets; see https://api.gbif.org/v1/occurrence/download/0009584-250515123054153/datasets/export for details.
 
Data from some individual datasets included in this download may be licensed under less restrictive terms.