cometadata/datacite-titles-descriptions-related-identifiers huggingface dataset:
DOI: 10.17638/datacat.liverpool.ac.uk/2650
title: Learning atoms from crystal structure

description: Understanding of chemical elements underlies physical sciences, revealing the fundamental role of elements in the formation and properties of materials. Recent advances offer insight into chemical elements through multi-dimensional descriptors, enabling materials modelling and functional property prediction. The predictive power of such modelling is strongly affected by availability of crystal structure information, often inaccessible in exploratory studies; however, existing elemental descriptors lack direct access to structural insights. In this study, we introduce Local Environment-induced Atomic Features (LEAFs), incorporating structural information into elemental descriptors. By deducing atomic properties from local structural environments, LEAFs offer a valuable insight into composition-structure-property relationships. In the crystal structure of a material, each atomic site can be quantitatively described by similarity to common structural motifs, producing a set of descriptors for atoms in crystal structures. By combining these unique identifiers from the local structures of chemical elements across the experimentally verified inorganic materials, LEAFs formulate a comprehensive set of elemental descriptors. We demonstrate the versatility of LEAFs in addressing critical challenges in materials science, including structure-informed interpretation of property predictions based only on compositional information, quantitative mapping of chemical space in structural terms, and efficient evaluation of elemental substitutions for materials design.
description: 25.04.2024
DOI: 10.15468/dl.gfsnft
title: Occurrence Download

description: A dataset containing 0 species occurrences available in GBIF matching the query:
{
 "TaxonKey" : [
 "is Festuca vandovii Denchev"
 ]
}

 The dataset includes 0 records from 0 constituent datasets; see https://api.gbif.org/v1/occurrence/download/0216556-230224095556074/datasets/export for details.
DOI: 10.15468/dl.ubty3j
title: Occurrence Download

description: A dataset containing 246 species occurrences available in GBIF matching the query:
{
 "and" : [
 "TaxonKey is Annelida",
 "DatasetKey is ATBI Parc national du Mercantour / Parco naturale Alpi Marittime-Jeux de données provenant de l'ATBI Mercantour",
 "HasCoordinate is true",
 "HasGeospatialIssue is false",
 "Geometry POLYGON ((-25.03991 31.75, 41.65954 31.75, 41.65954 71.53037, -25.03991 71.53037, -25.03991 31.75))"
 ]
}

 The dataset includes 246 records from 1 constituent datasets; see https://api.gbif.org/v1/occurrence/download/0213276-230224095556074/datasets/export for details.
 
Data from some individual datasets included in this download may be licensed under less restrictive terms.
DOI: 10.15468/dl.jw82ep
title: Occurrence Download

description: A dataset containing 15661 species occurrences available in GBIF matching the query:
{
 "TaxonKey" : [
 "is Festuca valesiaca Schleich. ex Gaudin"
 ]
}

 The dataset includes 15661 records from 221 constituent datasets; see https://api.gbif.org/v1/occurrence/download/0216551-230224095556074/datasets/export for details.
 
Data from some individual datasets included in this download may be licensed under less restrictive terms.
DOI: 10.15468/dl.ge2dpj
title: Occurrence Download

description: A dataset containing 6107 species occurrences available in GBIF matching the query:
{
 "and" : [
 "BasisOfRecord is one of (Living Specimen, Human Observation)",
 "OccurrenceStatus is Present",
 "TaxonKey is Cucurbita pepo L."
 ]
}

 The dataset includes 6107 records from 134 constituent datasets; see https://api.gbif.org/v1/occurrence/download/0257654-220831081235567/datasets/export for details.
 
Data from some individual datasets included in this download may be licensed under less restrictive terms.
DOI: 10.15468/dl.r2y32k
title: Occurrence Download

description: A dataset containing 0 species occurrences available in GBIF matching the query:
{
 "and" : [
 "TaxonKey is Porifera",
 "DatasetKey is Système d'Information sur la Nature et les Paysages d'Ile de France - Atlas de la Biodiversité de Seine-et-Marne - volet 2",
 "HasCoordinate is true",
 "HasGeospatialIssue is false",
 "Geometry POLYGON ((-25.03991 31.75, 41.65954 31.75, 41.65954 71.53037, -25.03991 71.53037, -25.03991 31.75))"
 ]
}

 The dataset includes 0 records from 0 constituent datasets; see https://api.gbif.org/v1/occurrence/download/0221811-230224095556074/datasets/export for details.
DOI: 10.15468/dl.6y42fh
title: Occurrence Download

description: A dataset containing 225 species occurrences available in GBIF matching the query:
{
 "TaxonKey" : [
 "is Navarretia filicaulis (Torr.) Greene"
 ]
}

 The dataset includes 225 records from 38 constituent datasets; see https://api.gbif.org/v1/occurrence/download/0045785-230530130749713/datasets/export for details.
 
Data from some individual datasets included in this download may be licensed under less restrictive terms.
DOI: 10.15468/dl.qt556u
title: Occurrence Download

description: A dataset containing 1189 species occurrences available in GBIF matching the query:
{
 "TaxonKey" : [
 "is Galium saxosum (Chaix) Breistr."
 ]
}

 The dataset includes 1189 records from 38 constituent datasets; see https://api.gbif.org/v1/occurrence/download/0223832-230224095556074/datasets/export for details.
 
Data from some individual datasets included in this download may be licensed under less restrictive terms.
DOI: 10.15468/dl.anbpam
title: Occurrence Download

description: A dataset containing 3 species occurrences available in GBIF matching the query:
{
 "and" : [
 "Geometry POLYGON((-99.945 20.776,-99.937 20.776,-99.937 20.782,-99.945 20.782,-99.945 20.776))",
 "HasCoordinate is true",
 "HasGeospatialIssue is false",
 "OccurrenceStatus is Present",
 "TaxonKey is Tracheophyta"
 ]
}

 The dataset includes 3 records from 1 constituent datasets; see https://api.gbif.org/v1/occurrence/download/0236393-220831081235567/datasets/export for details.
 
Data from some individual datasets included in this download may be licensed under less restrictive terms.
DOI: 10.15468/dl.ypqtwq
title: Occurrence Download

description: A dataset containing 2 species occurrences available in GBIF matching the query:
{
 "TaxonKey" : [
 "is Festuca urubambana Stancík"
 ]
}

 The dataset includes 2 records from 2 constituent datasets; see https://api.gbif.org/v1/occurrence/download/0216543-230224095556074/datasets/export for details.
 
Data from some individual datasets included in this download may be licensed under less restrictive terms.
DOI: 10.15468/dl.5sfewh
title: Occurrence Download

description: A dataset containing 704 species occurrences available in GBIF matching the query:
{
 "TaxonKey" : [
 "is Aconitum scaposum Franch."
 ]
}

 The dataset includes 704 records from 30 constituent datasets; see https://api.gbif.org/v1/occurrence/download/0249646-220831081235567/datasets/export for details.
 
Data from some individual datasets included in this download may be licensed under less restrictive terms.
DOI: 10.15468/dl.jnyh73
title: Occurrence Download

description: A dataset containing 70326 species occurrences available in GBIF matching the query:
{
 "TaxonKey" : [
 "is Gagea lutea (L.) Ker Gawl."
 ]
}

 The dataset includes 70326 records from 515 constituent datasets; see https://api.gbif.org/v1/occurrence/download/0221790-230224095556074/datasets/export for details.
 
Data from some individual datasets included in this download may be licensed under less restrictive terms.
DOI: 10.15468/dl.ht6ngf
title: Occurrence Download

description: A dataset containing 94 species occurrences available in GBIF matching the query:
{
 "and" : [
 "TaxonKey is Bromus sinensis Keng f.",
 "HasCoordinate is true",
 "HasGeospatialIssue is false"
 ]
}

 The dataset includes 94 records from 13 constituent datasets; see https://api.gbif.org/v1/occurrence/download/0263177-220831081235567/datasets/export for details.
 
Data from some individual datasets included in this download may be licensed under less restrictive terms.
DOI: 10.15468/dl.evmnkd
title: Occurrence Download

description: A dataset containing 4 species occurrences available in GBIF matching the query:
{
 "TaxonKey" : [
 "is Festuca venezuelana Stancík"
 ]
}

 The dataset includes 4 records from 4 constituent datasets; see https://api.gbif.org/v1/occurrence/download/0216564-230224095556074/datasets/export for details.
 
Data from some individual datasets included in this download may be licensed under less restrictive terms.
DOI: 10.15468/dl.bmqq8d
title: Occurrence Download

description: A dataset containing 1072 species occurrences available in GBIF matching the query:
{
 "TaxonKey" : [
 "is Grallaria kaestneri F.G.Stiles, 1992"
 ]
}

 The dataset includes 1072 records from 10 constituent datasets; see https://api.gbif.org/v1/occurrence/download/0007807-240425142415019/datasets/export for details.
 
Data from some individual datasets included in this download may be licensed under less restrictive terms.
DOI: 10.15468/dl.986sf9
title: Occurrence Download

description: A dataset containing 93 species occurrences available in GBIF matching the query:
{
 "TaxonKey" : [
 "is Hypancistrus zebra Isbrücker & Nijssen, 1991"
 ]
}

 The dataset includes 93 records from 15 constituent datasets; see https://api.gbif.org/v1/occurrence/download/0263179-220831081235567/datasets/export for details.
 
Data from some individual datasets included in this download may be licensed under less restrictive terms.
DOI: 10.15468/dl.fff3h5
title: Occurrence Download

description: A dataset containing 21 species occurrences available in GBIF matching the query:
{
 "TaxonKey" : [
 "is Festuca ventanicola Speg."
 ]
}

 The dataset includes 21 records from 9 constituent datasets; see https://api.gbif.org/v1/occurrence/download/0216565-230224095556074/datasets/export for details.
 
Data from some individual datasets included in this download may be licensed under less restrictive terms.
DOI: 10.15468/dl.fm8r8c
title: Occurrence Download

description: A dataset containing 0 species occurrences available in GBIF matching the query:
{
 "and" : [
 "TaxonKey is Porifera",
 "DatasetKey is Enquête nationale Écrevisses - Données d'observation d'écrevisses exotiques envahissantes en Occitanie sur la période 2014 à 2018",
 "HasCoordinate is true",
 "HasGeospatialIssue is false",
 "Geometry POLYGON ((-25.03991 31.75, 41.65954 31.75, 41.65954 71.53037, -25.03991 71.53037, -25.03991 31.75))"
 ]
}

 The dataset includes 0 records from 0 constituent datasets; see https://api.gbif.org/v1/occurrence/download/0221800-230224095556074/datasets/export for details.
DOI: 10.15468/dl.gccg9f
title: Occurrence Download

description: A dataset containing 61 species occurrences available in GBIF matching the query:
{
 "and" : [
 "Geometry POLYGON((-99.949 20.767,-99.936 20.767,-99.936 20.776,-99.949 20.776,-99.949 20.767))",
 "HasCoordinate is true",
 "HasGeospatialIssue is false",
 "OccurrenceStatus is Present",
 "TaxonKey is Tracheophyta"
 ]
}

 The dataset includes 61 records from 3 constituent datasets; see https://api.gbif.org/v1/occurrence/download/0236394-220831081235567/datasets/export for details.
 
Data from some individual datasets included in this download may be licensed under less restrictive terms.
DOI: 10.15468/dl.vh53h8
title: Occurrence Download

description: A dataset containing 64 species occurrences available in GBIF matching the query:
{
 "TaxonKey" : [
 "is Gentiana tubiflora (Wall. ex G.Don) Griseb."
 ]
}

 The dataset includes 64 records from 14 constituent datasets; see https://api.gbif.org/v1/occurrence/download/0225928-230224095556074/datasets/export for details.
 
Data from some individual datasets included in this download may be licensed under less restrictive terms.
DOI: 10.15468/dl.4anyyp
title: Occurrence Download

description: A dataset containing 21 species occurrences available in GBIF matching the query:
{
 "and" : [
 "TaxonKey is Buddleja albiflora Hemsl.",
 "HasCoordinate is true",
 "HasGeospatialIssue is false"
 ]
}

 The dataset includes 21 records from 15 constituent datasets; see https://api.gbif.org/v1/occurrence/download/0263178-220831081235567/datasets/export for details.
 
Data from some individual datasets included in this download may be licensed under less restrictive terms.
DOI: 10.15468/dl.h7e3by
title: Occurrence Download

description: A dataset containing 8777 species occurrences available in GBIF matching the query:
{
 "and" : [
 "Country is United Kingdom of Great Britain and Northern Ireland",
 "HasCoordinate is true",
 "HasGeospatialIssue is false",
 "OccurrenceStatus is Present",
 "TaxonKey is Salmo salar Linnaeus, 1758",
 "Year 2000-2010"
 ]
}

 The dataset includes 8777 records from 31 constituent datasets; see https://api.gbif.org/v1/occurrence/download/0007808-240425142415019/datasets/export for details.
 
Data from some individual datasets included in this download may be licensed under less restrictive terms.
DOI: 10.15468/dl.76ye7p
title: Occurrence Download

description: A dataset containing 263 species occurrences available in GBIF matching the query:
{
 "TaxonKey" : [
 "is Alibertia patinoi (Cuatrec.) Delprete & C.H.Perss."
 ]
}

 The dataset includes 263 records from 48 constituent datasets; see https://api.gbif.org/v1/occurrence/download/0225941-230224095556074/datasets/export for details.
 
Data from some individual datasets included in this download may be licensed under less restrictive terms.
DOI: 10.15468/dl.asbupj
title: Occurrence Download

description: A dataset containing 4330 species occurrences available in GBIF matching the query:
{
 "and" : [
 "BasisOfRecord is one of (Occurrence evidence, Machine Observation, Human Observation, Specimen)",
 "Continent is South America",
 "Country is Peru",
 "Issue is Geodetic datum assumed WGS84",
 "IucnRedListCategory is one of (NT, VU, EN, CR)",
 "OccurrenceStatus is Present",
 "Year is greater than or equal to 2000"
 ]
}

 The dataset includes 4330 records from 73 constituent datasets; see https://api.gbif.org/v1/occurrence/download/0257664-220831081235567/datasets/export for details.
 
Data from some individual datasets included in this download may be licensed under less restrictive terms.
DOI: 10.15468/dl.6dbx3r
title: Occurrence Download

description: A dataset containing 57921 species occurrences available in GBIF matching the query:
{
 "TaxonKey" : [
 "is Gentiana verna L."
 ]
}

 The dataset includes 57921 records from 368 constituent datasets; see https://api.gbif.org/v1/occurrence/download/0225942-230224095556074/datasets/export for details.
 
Data from some individual datasets included in this download may be licensed under less restrictive terms.
DOI: 10.15468/gmuwkp
title: Données naturalistes opportunistes issues de la plateforme INaturalist-Données naturalistes opportunistes "jupjup"

description: Données naturalistes opportunistes saisies sur iNaturalist à partir du compte "jupjup"
DOI: 10.25505/fiz.icsd.cctbk3s
title: CSD 754915: Experimental Crystal Structure Determination

description: Related Article: A.D.Handoko,G.K.L.Goh|2010|Green Chemistry|12|680|doi:10.1039/b923840a
description: An entry from the Inorganic Crystal Structure Database, the world’s repository for inorganic crystal structures. The entry contains experimental data from a crystal diffraction study. The deposited dataset for this entry is freely available from the joint CCDC and FIZ Karlsruhe Access Structures service and typically includes 3D coordinates, cell parameters, space group, experimental conditions and quality measures.
DOI: 10.25505/fiz.icsd.cctbk4t
title: CSD 754916: Experimental Crystal Structure Determination

description: Related Article: A.D.Handoko,G.K.L.Goh|2010|Green Chemistry|12|680|doi:10.1039/b923840a
description: An entry from the Inorganic Crystal Structure Database, the world’s repository for inorganic crystal structures. The entry contains experimental data from a crystal diffraction study. The deposited dataset for this entry is freely available from the joint CCDC and FIZ Karlsruhe Access Structures service and typically includes 3D coordinates, cell parameters, space group, experimental conditions and quality measures.
DOI: 10.25505/fiz.icsd.cctbk2r
title: CSD 754914: Experimental Crystal Structure Determination

description: Related Article: A.D.Handoko,G.K.L.Goh|2010|Green Chemistry|12|680|doi:10.1039/b923840a
description: An entry from the Inorganic Crystal Structure Database, the world’s repository for inorganic crystal structures. The entry contains experimental data from a crystal diffraction study. The deposited dataset for this entry is freely available from the joint CCDC and FIZ Karlsruhe Access Structures service and typically includes 3D coordinates, cell parameters, space group, experimental conditions and quality measures.
DOI: 10.25505/fiz.icsd.cctbksg
title: CSD 754936: Experimental Crystal Structure Determination

description: Related Article: D.R.Allan,W.G.Marshall,D.J.Francis,I.D.H.Oswald,C.R.Pulham,C.K.Spanswick|2010|Dalton Trans.|39|3736|doi:10.1039/b923975h
description: An entry from the Inorganic Crystal Structure Database, the world’s repository for inorganic crystal structures. The entry contains experimental data from a crystal diffraction study. The deposited dataset for this entry is freely available from the joint CCDC and FIZ Karlsruhe Access Structures service and typically includes 3D coordinates, cell parameters, space group, experimental conditions and quality measures.
DOI: 10.25505/fiz.icsd.cctbkqd
title: CSD 754934: Experimental Crystal Structure Determination

description: Related Article: D.R.Allan,W.G.Marshall,D.J.Francis,I.D.H.Oswald,C.R.Pulham,C.K.Spanswick|2010|Dalton Trans.|39|3736|doi:10.1039/b923975h
description: An entry from the Inorganic Crystal Structure Database, the world’s repository for inorganic crystal structures. The entry contains experimental data from a crystal diffraction study. The deposited dataset for this entry is freely available from the joint CCDC and FIZ Karlsruhe Access Structures service and typically includes 3D coordinates, cell parameters, space group, experimental conditions and quality measures.
DOI: 10.25505/fiz.icsd.cctbkrf
title: CSD 754935: Experimental Crystal Structure Determination

description: Related Article: D.R.Allan,W.G.Marshall,D.J.Francis,I.D.H.Oswald,C.R.Pulham,C.K.Spanswick|2010|Dalton Trans.|39|3736|doi:10.1039/b923975h
description: An entry from the Inorganic Crystal Structure Database, the world’s repository for inorganic crystal structures. The entry contains experimental data from a crystal diffraction study. The deposited dataset for this entry is freely available from the joint CCDC and FIZ Karlsruhe Access Structures service and typically includes 3D coordinates, cell parameters, space group, experimental conditions and quality measures.
DOI: 10.13140/rg.2.2.20605.90086
title: PSO MPPT Boost Converter
DOI: 10.15468/dl.j75www
title: Occurrence Download

description: A dataset containing 81476 species occurrences available in GBIF matching the query:
{
 "TaxonKey" : [
 "is Clanga pomarina"
 ]
}

 The dataset includes 81476 records from 77 constituent datasets; see https://api.gbif.org/v1/occurrence/download/0042166-251009101135966/datasets/export for details.
 
Data from some individual datasets included in this download may be licensed under less restrictive terms.
DOI: 10.5517/cctbgk4
title: CCDC 754836: Experimental Crystal Structure Determination

description: Related Article: Eun-Kyoung Bang,Jiyeon Won,Dohyun Moon,Jin Yong Lee,Byeang Hyean Kim|2011|Chem.Asian J.|6|2048|doi:10.1002/asia.201000924
description: An entry from the Cambridge Structural Database, the world’s repository for small molecule crystal structures. The entry contains experimental data from a crystal diffraction study. The deposited dataset for this entry is freely available from the CCDC and typically includes 3D coordinates, cell parameters, space group, experimental conditions and quality measures.
DOI: 10.5517/cctbxwx
title: CCDC 755280: Experimental Crystal Structure Determination

description: Related Article: M. Romero, M. Zanuy, E. Rosell, M. Cascante, J. Piulats, M. Font-Bardia, J. Balzarini, E. De Clerq, M.D. Pujol|2015|Eur.J.Med.Chem.|90|491|doi:10.1016/j.ejmech.2014.11.060
description: An entry from the Cambridge Structural Database, the world’s repository for small molecule crystal structures. The entry contains experimental data from a crystal diffraction study. The deposited dataset for this entry is freely available from the CCDC and typically includes 3D coordinates, cell parameters, space group, experimental conditions and quality measures.
DOI: 10.5517/cc9883x
title: CCDC 276058: Experimental Crystal Structure Determination

description: Related Article: N.Casati, P.Macchi, A.Sironi|2005|Angew.Chem.,Int.Ed.|44|7736|doi:10.1002/anie.200502241
description: Related Article: N.Casati, P.Macchi, A.Sironi|2009|Chem.-Eur.J.|15|4446|doi:10.1002/chem.200801528
description: An entry from the Cambridge Structural Database, the world’s repository for small molecule crystal structures. The entry contains experimental data from a crystal diffraction study. The deposited dataset for this entry is freely available from the CCDC and typically includes 3D coordinates, cell parameters, space group, experimental conditions and quality measures.
DOI: 10.5517/ccrnzjw
title: CCDC 705359: Experimental Crystal Structure Determination

description: Related Article: K.Chadwick, R.J.Davey, G.Dent, R.G.Pritchard, C.A.Hunter, D.Musumeci|2009|Cryst.Growth Des.|9|1990|doi:10.1021/cg8013078
description: An entry from the Cambridge Structural Database, the world’s repository for small molecule crystal structures. The entry contains experimental data from a crystal diffraction study. The deposited dataset for this entry is freely available from the CCDC and typically includes 3D coordinates, cell parameters, space group, experimental conditions and quality measures.
DOI: 10.5517/ccrc159
title: CCDC 695800: Experimental Crystal Structure Determination

description: Related Article: N.Casati, P.Macchi, A.Sironi|2009|Chem.-Eur.J.|15|4446|doi:10.1002/chem.200801528
description: An entry from the Cambridge Structural Database, the world’s repository for small molecule crystal structures. The entry contains experimental data from a crystal diffraction study. The deposited dataset for this entry is freely available from the CCDC and typically includes 3D coordinates, cell parameters, space group, experimental conditions and quality measures.
DOI: 10.5517/ccrc16b
title: CCDC 695801: Experimental Crystal Structure Determination

description: Related Article: N.Casati, P.Macchi, A.Sironi|2009|Chem.-Eur.J.|15|4446|doi:10.1002/chem.200801528
description: An entry from the Cambridge Structural Database, the world’s repository for small molecule crystal structures. The entry contains experimental data from a crystal diffraction study. The deposited dataset for this entry is freely available from the CCDC and typically includes 3D coordinates, cell parameters, space group, experimental conditions and quality measures.
DOI: 10.15468/dl.yemnpy
title: Occurrence Download

description: A dataset containing 0 species occurrences available in GBIF matching the query:
{
 "and" : [
 "TaxonKey is one of (Fungi)",
 "HasCoordinate is true",
 "HasGeospatialIssue is false",
 "Year is greater than or equal to 1980",
 "OccurrenceStatus is Present",
 {
 "not" : {
 "BasisOfRecord" : [
 "is one of (Fossil, Living Specimen)"
 ]
 }
 },
 "Geometry POLYGON((-165 -90,-157.5 -90,-157.5 -82.5,-165 -82.5,-165 -90))"
 ]
}

 The dataset includes 0 records from 0 constituent datasets; see https://api.gbif.org/v1/occurrence/download/0042250-251009101135966/datasets/export for details.