cometadata/datacite-titles-descriptions-related-identifiers huggingface dataset:
DOI: 10.5281/zenodo.15724282
title: Dataset for "Structural Effects of Composition Tuning in A-Site Disordered Perovskite La0.5M0.5TiO3 (M = Li, Na, K) Nanorods for Solid Composite Electrolyte Design"

description: This dataset contains the input structures and VASP output files for the "Structural Effects of Composition Tuning in A-Site Disordered Perovskite La0.5M0.5TiO3 (M = Li, Na, K) Nanorods for Solid Composite Electrolyte Design" paper. This paper uses density functional theory (DFT) implemented in VASP to unveil the role of A-site composition in LMTO on the bulk and surface structure and interactions with p(MTFSILi) polymer electrolyte for composite polymer electrolyte (CPE) design. For more information regarding the content of the paper, please refer to the manuscript.This dataset includes the VASP input and selected output files for all the DFT calculations used in the manuscript and the associated data analysis files for all the figures.

This dataset includes the following folders:



binary-oxide_references: the K2O, Na2O, Li2O, La2O3, and TiO2 reference energies needed for the decompositon enthalpy and the surface energy calculations.

bulkLMTO_calcs: the VASP input files and outputs files generated for all the bulk LMTO calculations of both the pseudocubic and orthorhombic perovskite phases with vary Li/K/Na compositions.

data-analysis: this directory holds all the data and analysis scripts used to generate the figures in the manuscript.



average_bond_lengths: average bond length scripts calculations from DFT output structures and python script for plotting

bond_length_distributions: bond length distribution scripts and calculations from DFT output structures and python script for plotting

Decomposition_Enthalpy: calculated decomposition enthalpies for the LMTO orthorhombic and pseudocubic phases and python script to plot

Li_binding_e: calculated lithium binding energies for the LMTO surface calculations with LiMTFSI and the python script for plotting

LiMTFSI_adsorption-e: calculated adsorption energys for LiMTFSI adsorbed to LMTO slab and the python script for plotting

MTFSI_adsorption-e: calculated adsorption energys for MTFSI adsorbed to LMTO slab and the python script for plotting

Surface_Energy_LMTO-slabs: calculated surface energies for the LMTO slabs and the python script for plotting

Ti-O-Ti_average_angles: average Ti-O-Ti bond angle scripts and calculations for bulk and surface LMTO and the python script for plotting



lithium_ref: the bulk lithium reference energy calculation needed for the lithium binding energy calculations

surfaceLMTO_calcs: the VASP input files and outputs files generated for all the surface LMTO calculations of the LMTO slabs with just the slab, LiMTFSI adsorbed, and MTFSI adsorbed, used to calculate the adsorption energies and Li binding energies as a function of Na/K composition.

generate_sqs: the python scripts and parent lanthanum titanate structures used to generate the special quasirandom structures (SQS) for the bulk pseudocubic and orthorhombic LMTO calculations with varying Na/K compositions


Software needed: python, VASP, Custodian python package, pymatgen, ASE
DOI: 10.5281/zenodo.15724281
title: Dataset for "Structural Effects of Composition Tuning in A-Site Disordered Perovskite La0.5M0.5TiO3 (M = Li, Na, K) Nanorods for Solid Composite Electrolyte Design"

description: This dataset contains the input structures and VASP output files for the "Structural Effects of Composition Tuning in A-Site Disordered Perovskite La0.5M0.5TiO3 (M = Li, Na, K) Nanorods for Solid Composite Electrolyte Design" paper. This paper uses density functional theory (DFT) implemented in VASP to unveil the role of A-site composition in LMTO on the bulk and surface structure and interactions with p(MTFSILi) polymer electrolyte for composite polymer electrolyte (CPE) design. For more information regarding the content of the paper, please refer to the manuscript.This dataset includes the VASP input and selected output files for all the DFT calculations used in the manuscript and the associated data analysis files for all the figures.

This dataset includes the following folders:



binary-oxide_references: the K2O, Na2O, Li2O, La2O3, and TiO2 reference energies needed for the decompositon enthalpy and the surface energy calculations.

bulkLMTO_calcs: the VASP input files and outputs files generated for all the bulk LMTO calculations of both the pseudocubic and orthorhombic perovskite phases with vary Li/K/Na compositions.

data-analysis: this directory holds all the data and analysis scripts used to generate the figures in the manuscript.



average_bond_lengths: average bond length scripts calculations from DFT output structures and python script for plotting

bond_length_distributions: bond length distribution scripts and calculations from DFT output structures and python script for plotting

Decomposition_Enthalpy: calculated decomposition enthalpies for the LMTO orthorhombic and pseudocubic phases and python script to plot

Li_binding_e: calculated lithium binding energies for the LMTO surface calculations with LiMTFSI and the python script for plotting

LiMTFSI_adsorption-e: calculated adsorption energys for LiMTFSI adsorbed to LMTO slab and the python script for plotting

MTFSI_adsorption-e: calculated adsorption energys for MTFSI adsorbed to LMTO slab and the python script for plotting

Surface_Energy_LMTO-slabs: calculated surface energies for the LMTO slabs and the python script for plotting

Ti-O-Ti_average_angles: average Ti-O-Ti bond angle scripts and calculations for bulk and surface LMTO and the python script for plotting



lithium_ref: the bulk lithium reference energy calculation needed for the lithium binding energy calculations

surfaceLMTO_calcs: the VASP input files and outputs files generated for all the surface LMTO calculations of the LMTO slabs with just the slab, LiMTFSI adsorbed, and MTFSI adsorbed, used to calculate the adsorption energies and Li binding energies as a function of Na/K composition.

generate_sqs: the python scripts and parent lanthanum titanate structures used to generate the special quasirandom structures (SQS) for the bulk pseudocubic and orthorhombic LMTO calculations with varying Na/K compositions


Software needed: python, VASP, Custodian python package, pymatgen, ASE
DOI: 10.15468/dl.jxrajb
title: Occurrence Download

description: A dataset containing 132 species occurrences available in GBIF matching the query:
{
 "and" : [
 "TaxonKey is Solenopsis invicta",
 "Country is China",
 "HasCoordinate is true"
 ]
}

 The dataset includes 132 records from 2 constituent datasets; see https://api.gbif.org/v1/occurrence/download/0022948-250717081556266/datasets/export for details.
 
Data from some individual datasets included in this download may be licensed under less restrictive terms.
DOI: 10.15468/dl.rw4dpj
title: Occurrence Download

description: A dataset containing 0 species occurrences available in GBIF matching the query:
{
 "and" : [
 "HasGeospatialIssue is false",
 "HasCoordinate is true",
 "OccurrenceStatus is Present",
 "BasisOfRecord is one of (Human Observation, Machine Observation, Occurrence evidence, Observation)",
 "TaxonKey is one of (Campylopterus hemileucurus)",
 "Country is one of (Algeria, Angola, Benin, Botswana, British Indian Ocean Territory, Burkina Faso, Burundi, Cabo Verde, Cameroon, Central African Republic, Chad, Comoros, Congo, Congo, Democratic Republic of the, Côte d’Ivoire, Djibouti, Egypt, Equatorial Guinea, Eritrea, Eswatini, Ethiopia, French Southern Territories, Gabon, Gambia, Ghana, Guinea, Guinea-Bissau, Kenya, Lesotho, Liberia, Libya, Madagascar, Malawi, Mali, Mauritania, Mauritius, Mayotte, Morocco, Mozambique, Namibia, Niger, Nigeria, Réunion, Rwanda, Saint Helena, Ascension and Tristan da Cunha, Sao Tome and Principe, Senegal, Seychelles, Sierra Leone, Somalia, South Africa, South Sudan, Sudan, Tanzania, United Republic of, Togo, Tunisia, Uganda, Western Sahara, Zambia, Zimbabwe)"
 ]
}

 The dataset includes 0 records from 0 constituent datasets; see https://api.gbif.org/v1/occurrence/download/0022949-250717081556266/datasets/export for details.
DOI: 10.15468/dl.vp947z
title: Occurrence Download

description: A dataset containing 0 species occurrences available in GBIF matching the query:
{
 "and" : [
 "TaxonKey is Haematoxylon campechianum",
 "Country is Bahamas",
 "HasCoordinate is true"
 ]
}

 The dataset includes 0 records from 0 constituent datasets; see https://api.gbif.org/v1/occurrence/download/0022951-250717081556266/datasets/export for details.
DOI: 10.15468/dl.g7nz2c
title: Occurrence Download

description: A dataset containing 18096 species occurrences available in GBIF matching the query:
{
 "TaxonKey" : [
 "is Crupina vulgaris"
 ]
}

 The dataset includes 18096 records from 404 constituent datasets; see https://api.gbif.org/v1/occurrence/download/0022950-250717081556266/datasets/export for details.
 
Data from some individual datasets included in this download may be licensed under less restrictive terms.
DOI: 10.5281/zenodo.16277101
title: Fuels mediate the influence of climate teleconnections on wildfires in dryland ecosystems

description: Here are the data and code for Fuels mediate the influence of climate teleconnections on wildfires in dryland ecosystems.
DOI: 10.5281/zenodo.16277102
title: Fuels mediate the influence of climate teleconnections on wildfires in dryland ecosystems

description: Here are the data and code for Fuels mediate the influence of climate teleconnections on wildfires in dryland ecosystems.
DOI: 10.6084/m9.figshare.29611067
title: Data and Code for From National Strategy to Urban Reality: Deconstructing the Multi-Level Policy Framework for Planning and Development in Hengqin

description: Data and Code for From National Strategy to Urban Reality: Deconstructing the Multi-Level Policy Framework for Planning and Development in Hengqin
DOI: 10.6084/m9.figshare.29611067.v1
title: Data and Code for From National Strategy to Urban Reality: Deconstructing the Multi-Level Policy Framework for Planning and Development in Hengqin

description: Data and Code for From National Strategy to Urban Reality: Deconstructing the Multi-Level Policy Framework for Planning and Development in Hengqin
DOI: 10.15468/dl.9d9gv3
title: Occurrence Download

description: A dataset containing 75 species occurrences available in GBIF matching the query:
{
 "and" : [
 "TaxonKey is Solenopsis invicta",
 "Country is Mexico",
 "HasCoordinate is true"
 ]
}

 The dataset includes 75 records from 1 constituent datasets; see https://api.gbif.org/v1/occurrence/download/0022954-250717081556266/datasets/export for details.
 
Data from some individual datasets included in this download may be licensed under less restrictive terms.
DOI: 10.15468/dl.3axa5h
title: Occurrence Download

description: A dataset containing 0 species occurrences available in GBIF matching the query:
{
 "and" : [
 "TaxonKey is Solenopsis invicta",
 "Country is Jamaica",
 "HasCoordinate is true"
 ]
}

 The dataset includes 0 records from 0 constituent datasets; see https://api.gbif.org/v1/occurrence/download/0022952-250717081556266/datasets/export for details.
DOI: 10.15468/dl.wwjraa
title: Occurrence Download

description: A dataset containing 7 species occurrences available in GBIF matching the query:
{
 "and" : [
 "TaxonKey is Syzygium cumini",
 "Country is Ghana",
 "HasCoordinate is true"
 ]
}

 The dataset includes 7 records from 2 constituent datasets; see https://api.gbif.org/v1/occurrence/download/0022953-250717081556266/datasets/export for details.
 
Data from some individual datasets included in this download may be licensed under less restrictive terms.
DOI: 10.15468/dl.495afd
title: Occurrence Download

description: A dataset containing 85122 species occurrences available in GBIF matching the query:
{
 "and" : [
 "TaxonKey is Lithobates catesbeianus",
 "Country is United States of America",
 "HasCoordinate is true"
 ]
}

 The dataset includes 85122 records from 81 constituent datasets; see https://api.gbif.org/v1/occurrence/download/0022928-250717081556266/datasets/export for details.
 
Data from some individual datasets included in this download may be licensed under less restrictive terms.
DOI: 10.15468/dl.qsfbju
title: Occurrence Download

description: A dataset containing 0 species occurrences available in GBIF matching the query:
{
 "and" : [
 "TaxonKey is Syzygium cumini",
 "Country is Grenada",
 "HasCoordinate is true"
 ]
}

 The dataset includes 0 records from 0 constituent datasets; see https://api.gbif.org/v1/occurrence/download/0022955-250717081556266/datasets/export for details.
DOI: 10.15468/dl.ew3zst
title: Occurrence Download

description: A dataset containing 5 species occurrences available in GBIF matching the query:
{
 "and" : [
 "Geometry POLYGON((-82.63427 -49.46594,-49.93774 -49.46594,-49.93774 -36.39293,-82.63427 -36.39293,-82.63427 -49.46594))",
 "HasCoordinate is true",
 "HasGeospatialIssue is false",
 "OccurrenceStatus is Present",
 "TaxonKey is Punctelia rudecta"
 ]
}

 The dataset includes 5 records from 2 constituent datasets; see https://api.gbif.org/v1/occurrence/download/0022956-250717081556266/datasets/export for details.
 
Data from some individual datasets included in this download may be licensed under less restrictive terms.
DOI: 10.15468/dl.6kk6b7
title: Occurrence Download

description: A dataset containing 1472 species occurrences available in GBIF matching the query:
{
 "and" : [
 "HasCoordinate is true",
 "HasGeospatialIssue is false",
 "TaxonKey is Erynnis lucilius"
 ]
}

 The dataset includes 1472 records from 33 constituent datasets; see https://api.gbif.org/v1/occurrence/download/0022958-250717081556266/datasets/export for details.
 
Data from some individual datasets included in this download may be licensed under less restrictive terms.
DOI: 10.15468/dl.ahhz48
title: Occurrence Download

description: A dataset containing 109 species occurrences available in GBIF matching the query:
{
 "and" : [
 "TaxonKey is Solenopsis invicta",
 "Country is Trinidad and Tobago",
 "HasCoordinate is true"
 ]
}

 The dataset includes 109 records from 2 constituent datasets; see https://api.gbif.org/v1/occurrence/download/0022959-250717081556266/datasets/export for details.
 
Data from some individual datasets included in this download may be licensed under less restrictive terms.
DOI: 10.15468/dl.uq9yr9
title: Occurrence Download

description: A dataset containing 11 species occurrences available in GBIF matching the query:
{
 "and" : [
 "TaxonKey is Nephrolepis multiflora",
 "Country is Bahamas",
 "HasCoordinate is true"
 ]
}

 The dataset includes 11 records from 1 constituent datasets; see https://api.gbif.org/v1/occurrence/download/0022960-250717081556266/datasets/export for details.
 
Data from some individual datasets included in this download may be licensed under less restrictive terms.
DOI: 10.15468/dl.qgjbm4
title: Occurrence Download

description: A dataset containing 0 species occurrences available in GBIF matching the query:
{
 "and" : [
 "HasGeospatialIssue is false",
 "HasCoordinate is true",
 "OccurrenceStatus is Present",
 "BasisOfRecord is one of (Human Observation, Machine Observation, Occurrence evidence, Observation)",
 "TaxonKey is one of (Cebus capucinus)",
 "Country is one of (Bermuda, Canada, Greenland, Saint Pierre and Miquelon, United States of America)"
 ]
}

 The dataset includes 0 records from 0 constituent datasets; see https://api.gbif.org/v1/occurrence/download/0022961-250717081556266/datasets/export for details.
DOI: 10.15468/dl.g8pfmj
title: Occurrence Download

description: A dataset containing 1554 species occurrences available in GBIF matching the query:
{
 "and" : [
 "HasGeospatialIssue is false",
 "HasCoordinate is true",
 "OccurrenceStatus is Present",
 "BasisOfRecord is one of (Human Observation, Machine Observation, Occurrence evidence, Observation)",
 "TaxonKey is one of (Cebus capucinus)",
 "Country is one of (Anguilla, Antigua and Barbuda, Argentina, Aruba, Bahamas, Barbados, Belize, Bolivia (Plurinational State of), Bonaire, Sint Eustatius and Saba, Bouvet Island, Brazil, Cayman Islands, Chile, Colombia, Costa Rica, Cuba, Curaçao, Dominica, Dominican Republic, Ecuador, El Salvador, Falkland Islands (Malvinas), French Guiana, Grenada, Guadeloupe, Guatemala, Guyana, Haiti, Honduras, Jamaica, Martinique, Mexico, Montserrat, Nicaragua, Panama, Paraguay, Peru, Puerto Rico, Saint Barthélemy, Saint Kitts and Nevis, Saint Lucia, Saint Martin (French part), Saint Vincent and the Grenadines, Sint Maarten (Dutch part), South Georgia and the South Sandwich Islands, Suriname, Trinidad and Tobago, Turks and Caicos Islands, Uruguay, Venezuela (Bolivarian Republic of), Virgin Islands (British), Virgin Islands (U.S.))"
 ]
}

 The dataset includes 1554 records from 50 constituent datasets; see https://api.gbif.org/v1/occurrence/download/0022962-250717081556266/datasets/export for details.
 
Data from some individual datasets included in this download may be licensed under less restrictive terms.
DOI: 10.15468/dl.yvd9rm
title: Occurrence Download

description: A dataset containing 0 species occurrences available in GBIF matching the query:
{
 "and" : [
 "HasGeospatialIssue is false",
 "HasCoordinate is true",
 "OccurrenceStatus is Present",
 "BasisOfRecord is one of (Human Observation, Machine Observation, Occurrence evidence, Observation)",
 "TaxonKey is one of (Cebus capucinus)",
 "Country is one of (Afghanistan, Armenia, Azerbaijan, Bahrain, Bangladesh, Bhutan, Brunei Darussalam, Cambodia, China, Cyprus, Georgia, Hong Kong, India, Indonesia, Iran (Islamic Republic of), Iraq, Israel, Japan, Jordan, Kazakhstan, Korea (Democratic People’s Republic of), Korea, Republic of, Kuwait, Kyrgyzstan, Lao People’s Democratic Republic, Lebanon, Macao, Malaysia, Maldives, Mongolia, Myanmar, Nepal, Oman, Pakistan, Palestine, State of, Philippines, Qatar, Saudi Arabia, Singapore, Sri Lanka, Syrian Arab Republic, Tajikistan, Thailand, Timor-Leste, Türkiye, Turkmenistan, United Arab Emirates, Uzbekistan, Viet Nam, Yemen)"
 ]
}

 The dataset includes 0 records from 0 constituent datasets; see https://api.gbif.org/v1/occurrence/download/0022963-250717081556266/datasets/export for details.
DOI: 10.15468/dl.6y5hhd
title: Occurrence Download

description: A dataset containing 18 species occurrences available in GBIF matching the query:
{
 "and" : [
 "TaxonKey is Syzygium cumini",
 "Country is Guyana",
 "HasCoordinate is true"
 ]
}

 The dataset includes 18 records from 7 constituent datasets; see https://api.gbif.org/v1/occurrence/download/0022964-250717081556266/datasets/export for details.
 
Data from some individual datasets included in this download may be licensed under less restrictive terms.
DOI: 10.15468/dl.waw6w6
title: Occurrence Download

description: A dataset containing 0 species occurrences available in GBIF matching the query:
{
 "and" : [
 "TaxonKey is Syzygium cumini",
 "Country is Haiti",
 "HasCoordinate is true"
 ]
}

 The dataset includes 0 records from 0 constituent datasets; see https://api.gbif.org/v1/occurrence/download/0022965-250717081556266/datasets/export for details.
DOI: 10.15468/dl.dkjtnk
title: Occurrence Download

description: A dataset containing 0 species occurrences available in GBIF matching the query:
{
 "and" : [
 "HasGeospatialIssue is false",
 "HasCoordinate is true",
 "OccurrenceStatus is Present",
 "BasisOfRecord is one of (Human Observation, Machine Observation, Occurrence evidence, Observation)",
 "TaxonKey is one of (Cebus capucinus)",
 "Country is one of (Åland Islands, Albania, Andorra, Austria, Belarus, Belgium, Bosnia and Herzegovina, Bulgaria, Croatia, Czechia, Denmark, Estonia, Faroe Islands, Finland, France, Germany, Gibraltar, Greece, Guernsey, Holy See, Hungary, Iceland, Ireland, Isle of Man, Italy, Jersey, Latvia, Liechtenstein, Lithuania, Luxembourg, Malta, Moldova, Republic of, Monaco, Montenegro, Netherlands, North Macedonia, Norway, Poland, Portugal, Romania, Russian Federation, San Marino, Serbia, Slovakia, Slovenia, Spain, Svalbard and Jan Mayen, Sweden, Switzerland, Ukraine, United Kingdom of Great Britain and Northern Ireland)"
 ]
}

 The dataset includes 0 records from 0 constituent datasets; see https://api.gbif.org/v1/occurrence/download/0022966-250717081556266/datasets/export for details.
DOI: 10.15468/dl.6gx7z5
title: Occurrence Download

description: A dataset containing 6 species occurrences available in GBIF matching the query:
{
 "and" : [
 "TaxonKey is Sansevieria hyacinthoides",
 "Country is Barbados",
 "HasCoordinate is true"
 ]
}

 The dataset includes 6 records from 1 constituent datasets; see https://api.gbif.org/v1/occurrence/download/0022967-250717081556266/datasets/export for details.
 
Data from some individual datasets included in this download may be licensed under less restrictive terms.
DOI: 10.15468/dl.ar7mxf
title: Occurrence Download

description: A dataset containing 18 species occurrences available in GBIF matching the query:
{
 "and" : [
 "TaxonKey is Sansevieria hyacinthoides",
 "Country is Cuba",
 "HasCoordinate is true"
 ]
}

 The dataset includes 18 records from 3 constituent datasets; see https://api.gbif.org/v1/occurrence/download/0022969-250717081556266/datasets/export for details.
 
Data from some individual datasets included in this download may be licensed under less restrictive terms.
DOI: 10.15468/dl.k4pfwe
title: Occurrence Download

description: A dataset containing 4 species occurrences available in GBIF matching the query:
{
 "and" : [
 "TaxonKey is Syzygium cumini",
 "Country is Jamaica",
 "HasCoordinate is true"
 ]
}

 The dataset includes 4 records from 3 constituent datasets; see https://api.gbif.org/v1/occurrence/download/0022968-250717081556266/datasets/export for details.
 
Data from some individual datasets included in this download may be licensed under less restrictive terms.
DOI: 10.15468/dl.bhptrk
title: Occurrence Download

description: A dataset containing 271 species occurrences available in GBIF matching the query:
{
 "and" : [
 "Country is Mexico",
 "HasCoordinate is true",
 "HasGeospatialIssue is false",
 "OccurrenceStatus is Present",
 "TaxonKey is Liometopum apiculatum"
 ]
}

 The dataset includes 271 records from 8 constituent datasets; see https://api.gbif.org/v1/occurrence/download/0022970-250717081556266/datasets/export for details.
 
Data from some individual datasets included in this download may be licensed under less restrictive terms.
DOI: 10.15468/dl.vu6tr2
title: Occurrence Download

description: A dataset containing 468 species occurrences available in GBIF matching the query:
{
 "and" : [
 "TaxonKey is Sansevieria hyacinthoides",
 "Country is United States of America",
 "HasCoordinate is true"
 ]
}

 The dataset includes 468 records from 10 constituent datasets; see https://api.gbif.org/v1/occurrence/download/0022971-250717081556266/datasets/export for details.
 
Data from some individual datasets included in this download may be licensed under less restrictive terms.
DOI: 10.15468/dl.fen2p8
title: Occurrence Download

description: A dataset containing 0 species occurrences available in GBIF matching the query:
{
 "and" : [
 "TaxonKey is Cactoblastis cactorum",
 "Country is Antigua and Barbuda",
 "HasCoordinate is true"
 ]
}

 The dataset includes 0 records from 0 constituent datasets; see https://api.gbif.org/v1/occurrence/download/0022972-250717081556266/datasets/export for details.
DOI: 10.5281/zenodo.16276960
title: Listado de universidades españolas con guías o manuales sobre el uso de inteligencia artificial en docencia universitaria

description: Este archivo Excel recoge información sobre universidades españolas y la disponibilidad de manuales o guías oficiales para el profesorado en relación con el uso de inteligencia artificial en la docencia. Para cada universidad, se indica si dispone de un documento específico, el nombre o enlace del mismo, el tipo de documento (por ejemplo, guía para docentes o posicionamiento institucional), y una breve descripción del contenido. La segunda hoja del archivo está vacía.