cometadata/datacite-titles-descriptions-related-identifiers huggingface dataset:
DOI: 10.5517/ccdc.csd.cc2kky8c
title: CCDC 2370733: Experimental Crystal Structure Determination

description: Related Article: Antonis Anastassiades, Dimitris I. Alexandropoulos, Christian D. Buch, Stergios Piligkos, Anastasios J. Tasiopoulos|2024|Dalton Trans.|53|16202|doi:10.1039/D4DT02054E
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/ccdc.csd.cc2kky9d
title: CCDC 2370734: Experimental Crystal Structure Determination

description: Related Article: Antonis Anastassiades, Dimitris I. Alexandropoulos, Christian D. Buch, Stergios Piligkos, Anastasios J. Tasiopoulos|2024|Dalton Trans.|53|16202|doi:10.1039/D4DT02054E
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: 10.5281/zenodo.14012864
title: Thermal conductivity of silica refractories and its temperature dependence during thermal cycling, compared to silicite and sandstone
DOI: 10.5281/zenodo.14012865
title: Thermal conductivity of silica refractories and its temperature dependence during thermal cycling, compared to silicite and sandstone
DOI: 10.5281/zenodo.14013869
title: Final test

description: This is a test before publication of a repostiory for a paper
DOI: 10.5518/791
title: Supplementary data associated with research paper: Decellurised intervertebral discs: A potential replacement for degenerate human intervertebral discs

description: Supplementary data associated with research paper: Decellurised intervertebral discs: A potential replacement for degenerate human intervertebral discs. Dataset comprised of histological images of bovine and human intervertebral disc (IVD) tissue regions; DNA and glycosaminoglycan assay data for bovine and human IVD tissue regions and biomechanical data for the compression testing of bovine IVDs. Date provided for cellular and decellularised samples.
DOI: 10.15468/dl.6ax7pe
title: Occurrence Download

description: A dataset containing 71 species occurrences available in GBIF matching the query:
{
 "and" : [
 "Geometry POLYGON((-41.45739 -8.23555,-44.33152 -10.58936,-43.09267 -12.84407,-38.93014 -8.63198,-41.45739 -8.23555))",
 "TaxonKey is one of (Bryophyta, Marchantiophyta, Anthocerotophyta)"
 ]
}

 The dataset includes 71 records from 20 constituent datasets; see https://api.gbif.org/v1/occurrence/download/0012328-241024112534372/datasets/export for details.
 
Data from some individual datasets included in this download may be licensed under less restrictive terms.
DOI: 10.15468/dl.scbe7z
title: Occurrence Download

description: A dataset containing 929163 species occurrences available in GBIF matching the query:
{
 "and" : [
 "DatasetKey is EOD – eBird Observation Dataset",
 "Geometry POLYGON((-98.87204 30.80605,-98.96569 30.12443,-98.11641 29.69976,-97.13061 29.42756,-96.91581 29.48336,-96.75173 30.11174,-96.66901 30.8322,-97.81068 30.90431,-98.46264 31.268,-98.87204 30.80605))",
 "HasGeospatialIssue is false",
 "StateProvince is Texas",
 "Year 2023-2024"
 ]
}

 The dataset includes 929163 records from 1 constituent datasets; see https://api.gbif.org/v1/occurrence/download/0012316-241024112534372/datasets/export for details.
 
Data from some individual datasets included in this download may be licensed under less restrictive terms.
DOI: 10.15468/dl.vft2yv
title: Occurrence Download

description: A dataset containing 175 species occurrences available in GBIF matching the query:
{
 "and" : [
 "OccurrenceStatus is Present",
 "TaxonKey is Trachyrhamphus longirostris Kaup, 1856"
 ]
}

 The dataset includes 175 records from 34 constituent datasets; see https://api.gbif.org/v1/occurrence/download/0012330-241024112534372/datasets/export for details.
 
Data from some individual datasets included in this download may be licensed under less restrictive terms.
DOI: 10.15468/dl.s2xsvc
title: Occurrence Download

description: A dataset containing 41 species occurrences available in GBIF matching the query:
{
 "and" : [
 "Country is Colombia",
 "Geometry POLYGON((-180 -90,180 -90,180 90,-180 90,-180 -90))",
 "HasCoordinate is true",
 "HasGeospatialIssue is false",
 "StateProvince is one of (Bello Horizonte, Bello Horizonte seed stores, Medellin, Medellín, Medelln, Medellen, Caldas Department, Caldas, Caldas Dept., Caldas department, Caldas Dpt., Central Comombia, Caldas/Antioquia, Itaguai, Girardot, Sabaneta, La Estrel, Copacabana)",
 "TaxonKey is Elapidae"
 ]
}

 The dataset includes 41 records from 8 constituent datasets; see https://api.gbif.org/v1/occurrence/download/0012329-241024112534372/datasets/export for details.
 
Data from some individual datasets included in this download may be licensed under less restrictive terms.
DOI: 10.15468/dl.7qkh54
title: Occurrence Download

description: A dataset containing 55311 species occurrences available in GBIF matching the query:
{
 "and" : [
 "SpeciesKey is one of (Gymnorhinus cyanocephalus Wied-Neuwied, 1841)",
 "BasisOfRecord is one of (Human Observation, Observation, Occurrence evidence)",
 "Year is greater than or equal to 1901",
 "Year is less than or equal to 2019",
 "HasCoordinate is true",
 "HasGeospatialIssue is false",
 "OccurrenceStatus is Present"
 ]
}

 The dataset includes 55311 records from 16 constituent datasets; see https://api.gbif.org/v1/occurrence/download/0012331-241024112534372/datasets/export for details.
 
Data from some individual datasets included in this download may be licensed under less restrictive terms.
DOI: 10.15468/dl.8ev926
title: Occurrence Download

description: A dataset containing 3727 species occurrences available in GBIF matching the query:
{
 "TaxonKey" : [
 "is Esterhazya splendida J.C.Mikan"
 ]
}

 The dataset includes 3727 records from 152 constituent datasets; see https://api.gbif.org/v1/occurrence/download/0012332-241024112534372/datasets/export for details.
 
Data from some individual datasets included in this download may be licensed under less restrictive terms.
DOI: 10.5281/zenodo.14008611
title: SERENA EJPSOIL FR EROSION SOIL LOSS

description: General description of SERENA 

The internal EJP SOIL project SERENA contributed to the evaluation of soil multifunctionality aiming at providing assessment tools for land planning and soil policies at different scales. By co-working with relevant stakeholders, the project provided co-developed indicators and associated cookbooks to assess and map them, to report both on soil degradation, soil-based ecosystem services and their bundles, under actual conditions and for climate and land-use changes, at the regional, national, and European scales.

Actual dataset

This dataset was product following cookbook recommandation described here : 10.5281/zenodo.13991088. Values are annual erosion rate estimated with the RUSLE method using national data.
DOI: 10.5281/zenodo.14008612
title: SERENA EJPSOIL FR EROSION SOIL LOSS

description: General description of SERENA 

The internal EJP SOIL project SERENA contributed to the evaluation of soil multifunctionality aiming at providing assessment tools for land planning and soil policies at different scales. By co-working with relevant stakeholders, the project provided co-developed indicators and associated cookbooks to assess and map them, to report both on soil degradation, soil-based ecosystem services and their bundles, under actual conditions and for climate and land-use changes, at the regional, national, and European scales.

Actual dataset

This dataset was product following cookbook recommandation described here : 10.5281/zenodo.13991088. Values are annual erosion rate estimated with the RUSLE method using national data.
DOI: 10.5518/795
title: Dataset associated with “Understanding the Physics of the Auxetic Response in a Liquid Crystal Elastomer”.

description: Contains polarised Raman spectroscopy of a liquid crystal elastomer known to display an auxetic response and a mechanical Fréedericksz transition as a function of strain. Files include full evolution of the uniaxial and biaxial order parameters as a function of strain parallel and perpindicular to the director. Depolarization data is provided for various bond vibrations to determine the director behaviour as a function of strain.
DOI: 10.5281/zenodo.14013796
title: General purpose Gaussian approximation potential for P with Hirshfeld volumes for vdW corrections

description: This is a Gaussian approximation potential (GAP [1]) for phosphorus. The potential can be used to model general phosphorus systems, including the various solid phases as well as molecular and polymeric fluids. It has been fitted with gap_fit [2] by recomputing the database of Ref. [3] at the PBE level of theory [4] using the VASP code [5,6].

The potential allows for adding van der Waals (vdW) corrections at the Tkatchenko-Scheffler (TS) [7] and many-body-dispersion (MBD) [8] levels via machine learning based local parametrization of dispersion interactions [9] and the linear-scaling MBD (lMBD) approximation [10], respectively.

For the underlying PBE fit, this potential uses 2-body (distance_2b) and SOAP-type descriptors (soap_turbo) [11,12], as implemented in the TurboGAP code [13]. For the Hirshfeld volume fit, the potential reuses the soap_turbo descriptors for computational efficiency. The files can be used both with QUIP/GAP (without vdW-correction support) and TurboGAP (with full functionality).

The reference for the implementation paper will be added here later.

Funding and resources

The authors acknowledge funding from the Academy of Finland (grants 321713, 330488 and 347252) and the European Union: Innovation Study XCALE has received funding through the Inno4scale project, which is funded by the European High-Performance Computing Joint Undertaking (JU) under Grant Agreement No 101118139. TheJU receives support from the European Union's Horizon Europe Programme. Computational resources from the Finnish Center for Scientific Computing (CSC) and Aalto University's Science IT project are also acknowledged.

References



A.P. Bartók, M.C. Payne, R. Kondor, and G. Csányi. Phys. Rev. Lett. 104, 136403 (2010).

S. Klawohn, J.P. Darby, J.R. Kermode, G. Csányi, M.A. Caro, and A.P. Bartók. J. Chem. Phys. 159, 174108 (2023).

V.L. Deringer, M. A. Caro, and G. Csányi. Nat. Commun. 11, 1 (2020).

J.P. Perdew, K. Burke, and M. Ernzerhof. Phys Rev. Lett. 77, 3865 (1996).

VASP: http://vasp.at

G. Kresse and J. Furthmüller. Phys. Rev. B 54, 11169 (1996).

A. Tkatchenko and M. Scheffler. Phys. Rev. Lett. 102, 073005 (2009).

A. Tkatchenko, R. A. DiStasio Jr, R. Car, and M. Scheffler. Phys. Rev. Lett. 108, 236402 (2012).

H. Muhli, X. Chen, A.P. Bartók, P. Hernández-León, G. Csányi, T. Ala-Nissila, and M.A. Caro. Phys. Rev. B 104, 054106 (2021).

H. Muhli, T. Ala-Nissila, and M.A. Caro. arXiv preprint arXiv:2407.06409 (2024).

A.P. Bartók, R. Kondor, and G. Csányi. Phys. Rev. B 87, 184115 (2013).

M.A. Caro. Phys. Rev. B 100, 024112 (2019).

TurboGAP: http://turbogap.fi


Contact

Miguel A. Caro: mcaroba@gmail.com or miguel.caro@aalto.fi
DOI: 10.5281/zenodo.14013797
title: General purpose Gaussian approximation potential for P with Hirshfeld volumes for vdW corrections

description: This is a Gaussian approximation potential (GAP [1]) for phosphorus. The potential can be used to model general phosphorus systems, including the various solid phases as well as molecular and polymeric fluids. It has been fitted with gap_fit [2] by recomputing the database of Ref. [3] at the PBE level of theory [4] using the VASP code [5,6].

The potential allows for adding van der Waals (vdW) corrections at the Tkatchenko-Scheffler (TS) [7] and many-body-dispersion (MBD) [8] levels via machine learning based local parametrization of dispersion interactions [9] and the linear-scaling MBD (lMBD) approximation [10], respectively.

For the underlying PBE fit, this potential uses 2-body (distance_2b) and SOAP-type descriptors (soap_turbo) [11,12], as implemented in the TurboGAP code [13]. For the Hirshfeld volume fit, the potential reuses the soap_turbo descriptors for computational efficiency. The files can be used both with QUIP/GAP (without vdW-correction support) and TurboGAP (with full functionality).

The reference for the implementation paper will be added here later.

Funding and resources

The authors acknowledge funding from the Academy of Finland (grants 321713, 330488 and 347252) and the European Union: Innovation Study XCALE has received funding through the Inno4scale project, which is funded by the European High-Performance Computing Joint Undertaking (JU) under Grant Agreement No 101118139. TheJU receives support from the European Union's Horizon Europe Programme. Computational resources from the Finnish Center for Scientific Computing (CSC) and Aalto University's Science IT project are also acknowledged.

References



A.P. Bartók, M.C. Payne, R. Kondor, and G. Csányi. Phys. Rev. Lett. 104, 136403 (2010).

S. Klawohn, J.P. Darby, J.R. Kermode, G. Csányi, M.A. Caro, and A.P. Bartók. J. Chem. Phys. 159, 174108 (2023).

V.L. Deringer, M. A. Caro, and G. Csányi. Nat. Commun. 11, 1 (2020).

J.P. Perdew, K. Burke, and M. Ernzerhof. Phys Rev. Lett. 77, 3865 (1996).

VASP: http://vasp.at

G. Kresse and J. Furthmüller. Phys. Rev. B 54, 11169 (1996).

A. Tkatchenko and M. Scheffler. Phys. Rev. Lett. 102, 073005 (2009).

A. Tkatchenko, R. A. DiStasio Jr, R. Car, and M. Scheffler. Phys. Rev. Lett. 108, 236402 (2012).

H. Muhli, X. Chen, A.P. Bartók, P. Hernández-León, G. Csányi, T. Ala-Nissila, and M.A. Caro. Phys. Rev. B 104, 054106 (2021).

H. Muhli, T. Ala-Nissila, and M.A. Caro. arXiv preprint arXiv:2407.06409 (2024).

A.P. Bartók, R. Kondor, and G. Csányi. Phys. Rev. B 87, 184115 (2013).

M.A. Caro. Phys. Rev. B 100, 024112 (2019).

TurboGAP: http://turbogap.fi


Contact

Miguel A. Caro: mcaroba@gmail.com or miguel.caro@aalto.fi
DOI: 10.15468/dl.am2khj
title: Occurrence Download

description: A dataset containing 5043 species occurrences available in GBIF matching the query:
{
 "and" : [
 "Country is Nicaragua",
 "OccurrenceStatus is Present",
 "TaxonKey is Ramphastos sulfuratus R.Lesson, 1830"
 ]
}

 The dataset includes 5043 records from 10 constituent datasets; see https://api.gbif.org/v1/occurrence/download/0012333-241024112534372/datasets/export for details.
 
Data from some individual datasets included in this download may be licensed under less restrictive terms.
DOI: 10.15468/dl.w7dnxy
title: Occurrence Download

description: A dataset containing 42 species occurrences available in GBIF matching the query:
{
 "and" : [
 "HasCoordinate is true",
 "HasGeospatialIssue is false",
 "TaxonKey is Hamiota perovalis (Conrad, 1834)",
 "Year 2000-2024"
 ]
}

 The dataset includes 42 records from 4 constituent datasets; see https://api.gbif.org/v1/occurrence/download/0012334-241024112534372/datasets/export for details.
 
Data from some individual datasets included in this download may be licensed under less restrictive terms.
DOI: 10.5281/zenodo.13970637
title: SERENA EJPSOIL IE SOC Loss SOC

description: The internal EJP SOIL project SERENA contributed to the evaluation of soil multifunctionality aiming at providing assessment tools for land planning and soil policies at different scales. By co-working with relevant stakeholders, the project provided co-developed indicators and associated cookbooks to assess and map them, to report both on soil degradation, soil-based ecosystem services and their bundles, under actual conditions and for climate and land-use changes, at the regional, national, and European scales.    

 
description: A map of SOC concentrations for the Republic of Ireland was produced using a geostatistical approach. Particularly, ordinary kriging (Chilès & Delfiner, 2012) was used to map SOC concentration (%) at national scale. The distribution of SOC data was highly skewed. Therefore, before the application of the approach, SOC data were transformed into a Gaussian distribution using a Gaussian anamorphosis (Wackernagel, 2003) and then back transformed into raw data after the spatial interpolation. The fitted variogram model and Gaussian data were used with ordinary kriging to predict SOC values at the node of a 50 m x 50 m grid and obtain a map of Gaussian SOC values. These values were back transformed to raw values.

 
description: Disclaimer:

The data are derived from the calculation of indicators based on a standard methodology established as part of the EJP Soil SERENA programme. Please keep in mind that:

- It is the result of a modelling exercise and does not necessarily reflect reality.

- Despite the efforts made to provide reliable data, the results may contain inconsistencies, depending in particular on the raw data available and level of accuracy of the techniques chosen and their prior knowledge.

- It is necessary to consider how the results have been obtained in order to decide on their relevance in relation to the intended purpose of reuse.

- These results are interesting from a scientific point of view, but their use for environmental management and policy issues should be done keeping the previous aspects in mind and complementing when necessary the provided results with the best available data.

==> Finally, it is the responsibility of the users of this information to decide whether it is appropriate to use these data and whether the data meet their needs. The authors of this resource can in no way be held responsible for the results obtained from the use of this data.
DOI: 10.7294/26197334
title: Dangerous Harbor Project - Lancaster County - Reel 26 - 1702-1713 - TIFFs 451-486

description: This dataset includes 36 TIFF files showing court orders from Lancaster County in Virginia. They were created to settle disputes between residents within Lancaster County and ultimately issue punishments, judgments, and fines. These documents were used to identify escaped unfree laborers in the 17th century Chesapeake and the punishments associated with their escape.<br>To learn more about this project, please go to the Dangerous Harbor Website.
DOI: 10.5281/zenodo.14001697
title: SERENA EJP Soil: Bundles Application Emilia-Romagna, Italy

description: The internal EJP SOIL project SERENA contributed to the evaluation of soil multifunctionality aiming at providing assessment tools for land planning and soil policies at different scales. By co-working with relevant stakeholders, the project provided co-developed indicators and associated cookbooks to assess and map them, to report both on soil degradation, soil-based ecosystem services and their bundles, under actual conditions and for climate and land-use changes, at the regional, national, and European scales.
description: The present datasets correspond to 2 maps of soil-based ecosystem services for the area of Emilia-Romagna, Italy. The maps are the result of applying the bundles cookbook developed in SERENA/EJP-Soil to the area of interest (AOI) input data (“SERENA_EJPSOIL_IT_bundles.gpkg”); and a variation of the cookbook to the other geodata (SERENA_EJPSOIL_IT_bundles_previous.gpkg). The resulting bundles are clusters of SESs/STs where the intra-cluster variability is lower than the inter-cluster variability in the mean values of the selected SESs/STs to identify the bundles. More specific informatin can be found in the metadata can be found embeded in the geospatial products
description: The data are derived from the calculation of indicators based on a standard methodology established as part of the EJP Soil SERENA programme. Please keep in mind that:

It is the result of a modelling exercise and does not necessarily reflect reality.

Despite the efforts made to provide reliable data, the results may contain inconsistencies, depending in particular on the raw data available and level of accuracy of the techniques chosen and their prior knowledge .

It is necessary to consider how the results have been obtained in order to decide on their relevance in relation to the intended purpose of reuse.

These results are interesting from a scientific point of view, but their use for environmental management and policy issues should be done keeping the previous aspects in mind and complementing when necessary the provided results with the best available data.

Finally, it is the responsibility of the users of this information to decide whether it is appropriate to use these data and whether the data meet their needs. The authors of this resource can in no way be held responsible for the results obtained from the use of this data.
DOI: 10.7294/26197334.v1
title: Dangerous Harbor Project - Lancaster County - Reel 26 - 1702-1713 - TIFFs 451-486

description: This dataset includes 36 TIFF files showing court orders from Lancaster County in Virginia. They were created to settle disputes between residents within Lancaster County and ultimately issue punishments, judgments, and fines. These documents were used to identify escaped unfree laborers in the 17th century Chesapeake and the punishments associated with their escape.<br>To learn more about this project, please go to the Dangerous Harbor Website.
DOI: 10.7294/26197328.v1
title: Dangerous Harbor Project - Lancaster County - Reel 26 - 1702-1713 - TIFFs 401-450

description: This dataset includes 50 TIFF files showing court orders from Lancaster County in Virginia. They were created to settle disputes between residents within Lancaster County and ultimately issue punishments, judgments, and fines. These documents were used to identify escaped unfree laborers in the 17th century Chesapeake and the punishments associated with their escape.<br>To learn more about this project, please go to the Dangerous Harbor Website.
DOI: 10.15468/dl.d3ke4r
title: Occurrence Download

description: A dataset containing 403 species occurrences available in GBIF matching the query:
{
 "and" : [
 "TaxonKey is one of (Mustela lutreola (Linnaeus, 1761))",
 "Country is one of (Spain)",
 "HasCoordinate is true",
 "HasGeospatialIssue is false"
 ]
}

 The dataset includes 403 records from 5 constituent datasets; see https://api.gbif.org/v1/occurrence/download/0012336-241024112534372/datasets/export for details.
 
Data from some individual datasets included in this download may be licensed under less restrictive terms.
DOI: 10.7294/26197328
title: Dangerous Harbor Project - Lancaster County - Reel 26 - 1702-1713 - TIFFs 401-450

description: This dataset includes 50 TIFF files showing court orders from Lancaster County in Virginia. They were created to settle disputes between residents within Lancaster County and ultimately issue punishments, judgments, and fines. These documents were used to identify escaped unfree laborers in the 17th century Chesapeake and the punishments associated with their escape.<br>To learn more about this project, please go to the Dangerous Harbor Website.
DOI: 10.15468/dl.dvb8nd
title: Occurrence Download

description: A dataset containing 34 species occurrences available in GBIF matching the query:
{
 "and" : [
 "BasisOfRecord is Specimen",
 "Country is Brazil",
 "HasCoordinate is true",
 "HasGeospatialIssue is false",
 "TaxonKey is Apteronotus brasiliensis (Reinhardt, 1852)"
 ]
}

 The dataset includes 34 records from 9 constituent datasets; see https://api.gbif.org/v1/occurrence/download/0012337-241024112534372/datasets/export for details.
 
Data from some individual datasets included in this download may be licensed under less restrictive terms.