cometadata/datacite-titles-descriptions-related-identifiers huggingface dataset:
DOI: 10.5517/ccdc.csd.cc2k3d25
title: CCDC 2356746: Experimental Crystal Structure Determination

description: Related Article: Majed S. Fataftah, Daniel W. N. Wilson, Zachary Mathe, Theodore J. Gerard, Brandon Q. Mercado, Serena DeBeer, Patrick L. Holland|2024|ACS Cent.Sci.|10|1910|doi:10.1021/acscentsci.4c00985
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.cc2m1fbg
title: CCDC 2414445: Experimental Crystal Structure Determination

description: Related Article: Asif Ahmad, Urvashi Gupta, Sundargopal Ghosh|2025|Inorg.Chem.|64|18735|doi:10.1021/acs.inorgchem.5c02266
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.cc2fzyv7
title: CCDC 2264080: Experimental Crystal Structure Determination

description: Related Article: Asif Ahmad, Urvashi Gupta, Sundargopal Ghosh|2025|Inorg.Chem.|64|18735|doi:10.1021/acs.inorgchem.5c02266
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.cc2m5xk9
title: CCDC 2418761: Experimental Crystal Structure Determination

description: Related Article: Yishou Wang, Yucai Mu, Xin Han, Jichao Xiao, Genping Huang, Fen Wang, Xiao-Xi Li, Xingwei Li|2025|J.Am.Chem.Soc.|||doi:10.1021/jacs.5c15479
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.cc2md7x6
title: CCDC 2424848: Experimental Crystal Structure Determination

description: Related Article: Corina Stoian, Sergey Ketkov, Jens Beckmann|2025|Z.Anorg.Allg.Chem.|651|e202500035|doi:10.1002/zaac.202500035
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.cc2mm2p1
title: CCDC 2431413: Experimental Crystal Structure Determination

description: Related Article: Anrong Chen, Zhenghong Zhou, Yang Han, Bo Yang, Yingzi Li, Feng Zhu
|2025|Angew.Chem.,Int.Ed.|64|e202511045|doi:10.1002/anie.202511045
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.cc2n31wq
title: CCDC 2445803: Experimental Crystal Structure Determination

description: Related Article: Lin Tang, Shaoyu Hao, Chaoren Shen, Kaiwu Dong|2025|J.Am.Chem.Soc.|147|34231|doi:10.1021/jacs.5c11528
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.cc2nb056
title: CCDC 2452477: Experimental Crystal Structure Determination

description: Related Article: Yuluan Liao, Lianxiang Li, Liangchen Liu, Huatian Shi, Weibin Yu|2025|Inorg.Chem.|||doi:10.1021/acs.inorgchem.5c04077
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.cc2nb067
title: CCDC 2452478: Experimental Crystal Structure Determination

description: Related Article: Yuluan Liao, Lianxiang Li, Liangchen Liu, Huatian Shi, Weibin Yu|2025|Inorg.Chem.|||doi:10.1021/acs.inorgchem.5c04077
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.cc2nb078
title: CCDC 2452479: Experimental Crystal Structure Determination

description: Related Article: Yuluan Liao, Lianxiang Li, Liangchen Liu, Huatian Shi, Weibin Yu|2025|Inorg.Chem.|||doi:10.1021/acs.inorgchem.5c04077
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.cc2nhg5t
title: CCDC 2457716: Experimental Crystal Structure Determination

description: Related Article: Xin‐Yu Gao, Yuanjiu Xiao, Quanxin Peng, Fujian Yang, Daojing Li, Guoqiang Wang, Yu Qian, Jian‐Jun Feng
|2025|Angew.Chem.,Int.Ed.|64|e202513768|doi:10.1002/anie.202513768
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.cc2nh3cn
title: CCDC 2457381: Experimental Crystal Structure Determination

description: Related Article: Ruifeng Shu, Takeshi Naota, Daisuke Shiomi, Shuichi Suzuki|2025|Chem.Commun.|61|17021|doi:10.1039/d5cc04915f
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.cc2nh3dp
title: CCDC 2457382: Experimental Crystal Structure Determination

description: Related Article: Ruifeng Shu, Takeshi Naota, Daisuke Shiomi, Shuichi Suzuki|2025|Chem.Commun.|61|17021|doi:10.1039/d5cc04915f
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.cc2nh3fq
title: CCDC 2457383: Experimental Crystal Structure Determination

description: Related Article: Ruifeng Shu, Takeshi Naota, Daisuke Shiomi, Shuichi Suzuki|2025|Chem.Commun.|61|17021|doi:10.1039/d5cc04915f
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.cc2nph0w
title: CCDC 2463508: Experimental Crystal Structure Determination

description: Related Article: Yao Lei, Zi-Yan Wu, Pei-Sen Zou, Qing-Qing Liu, Cheng-Xue Pan, Dong-Liang Mo, Gui-Fa Su|2025|J.Org.Chem.|90|13222|doi:10.1021/acs.joc.5c01908
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.cc2nph1x
title: CCDC 2463509: Experimental Crystal Structure Determination

description: Related Article: Yao Lei, Zi-Yan Wu, Pei-Sen Zou, Qing-Qing Liu, Cheng-Xue Pan, Dong-Liang Mo, Gui-Fa Su|2025|J.Org.Chem.|90|13222|doi:10.1021/acs.joc.5c01908
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.cc2nph2y
title: CCDC 2463510: Experimental Crystal Structure Determination

description: Related Article: Yao Lei, Zi-Yan Wu, Pei-Sen Zou, Qing-Qing Liu, Cheng-Xue Pan, Dong-Liang Mo, Gui-Fa Su|2025|J.Org.Chem.|90|13222|doi:10.1021/acs.joc.5c01908
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.cc2nph3z
title: CCDC 2463511: Experimental Crystal Structure Determination

description: Related Article: Yao Lei, Zi-Yan Wu, Pei-Sen Zou, Qing-Qing Liu, Cheng-Xue Pan, Dong-Liang Mo, Gui-Fa Su|2025|J.Org.Chem.|90|13222|doi:10.1021/acs.joc.5c01908
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.cc2nsn04
title: CCDC 2466546: Experimental Crystal Structure Determination

description: Related Article: Yongjing Deng, Yongkang Zhu, Xiaodong Zhao, Ning Ding, Yong Yang, Mengzhu Wang, Jiangang Li, Pengfei She, Shujuan Liu, Yun Ma, Qiang Zhao|2025|Angew.Chem.,Int.Ed.|64|e202514416|doi:10.1002/anie.202514416
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.cc2nsn26
title: CCDC 2466548: Experimental Crystal Structure Determination

description: Related Article: Yongjing Deng, Yongkang Zhu, Xiaodong Zhao, Ning Ding, Yong Yang, Mengzhu Wang, Jiangang Li, Pengfei She, Shujuan Liu, Yun Ma, Qiang Zhao|2025|Angew.Chem.,Int.Ed.|64|e202514416|doi:10.1002/anie.202514416
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.cc2nsfd9
title: CCDC 2466341: Experimental Crystal Structure Determination

description: Related Article: Yongjing Deng, Yongkang Zhu, Xiaodong Zhao, Ning Ding, Yong Yang, Mengzhu Wang, Jiangang Li, Pengfei She, Shujuan Liu, Yun Ma, Qiang Zhao|2025|Angew.Chem.,Int.Ed.|64|e202514416|doi:10.1002/anie.202514416
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.15151171
title: Allegro model for basaltic glass

description: Training procedure for active learning run resulting in a model for basaltic glass, that is good for temperatures up to about 10000 K and pressures up to several gigapascals. Can do free surfaces, including fracture. Based on PBE-DFT from VASP. All input files for all training data is included, as well as all intermediate models in the active learning. The final model is provided in the file basalt_model_iter_27_model_0.pth for convenience.

Funded by EuroHPC Joint Undertaking: EHPC-REG-2023R03-146
DOI: 10.5281/zenodo.15151172
title: Allegro model for basaltic glass

description: Training procedure for active learning run resulting in a model for basaltic glass, that is good for temperatures up to about 10000 K and pressures up to several gigapascals. Can do free surfaces, including fracture. Based on PBE-DFT from VASP. All input files for all training data is included, as well as all intermediate models in the active learning. The final model is provided in the file basalt_model_iter_27_model_0.pth for convenience.

Funded by EuroHPC Joint Undertaking: EHPC-REG-2023R03-146
DOI: 10.15468/dl.h5etfq
title: Occurrence Download

description: A dataset containing 63 species occurrences available in GBIF matching the query:
{
 "TaxonKey" : [
 "is Coreobagrus brevicorpus Mori, 1936"
 ]
}

 The dataset includes 63 records from 8 constituent datasets; see https://api.gbif.org/v1/occurrence/download/0325007-200613084148143/datasets/export for details.
 
Data from some individual datasets included in this download may be licensed under less restrictive terms.
DOI: 10.15468/dl.kagf9c
title: Occurrence Download

description: A dataset containing 22 species occurrences available in GBIF matching the query:
{
 "and" : [
 "Country is Poland",
 "TaxonKey is Hericium erinaceus (Bull.) Pers.",
 "Year 2002-2022"
 ]
}

 The dataset includes 22 records from 3 constituent datasets; see https://api.gbif.org/v1/occurrence/download/0170091-220831081235567/datasets/export for details.
 
Data from some individual datasets included in this download may be licensed under less restrictive terms.
DOI: 10.15468/dl.dxjew5
title: Occurrence Download

description: A dataset containing 4201 species occurrences available in GBIF matching the query:
{
 "and" : [
 "BasisOfRecord is Specimen",
 "HasCoordinate is true",
 "HasGeospatialIssue is false",
 "TaxonKey is Equus Linnaeus, 1758"
 ]
}

 The dataset includes 4201 records from 64 constituent datasets; see https://api.gbif.org/v1/occurrence/download/0242920-200613084148143/datasets/export for details.
 
Data from some individual datasets included in this download may be licensed under less restrictive terms.
DOI: 10.15468/dl.am8krl
title: Occurrence Download

description: A dataset containing 12756 species occurrences available in GBIF matching the query:
{
 "and" : [
 "Year 1950-2018",
 "DatasetKey is Estonian Nature Observations Database",
 "HasCoordinate is true",
 "TaxonKey is Tracheophyta",
 "HasGeospatialIssue is false"
 ]
}

 The dataset includes 12756 records from 1 constituent datasets; see https://api.gbif.org/v1/occurrence/download/0013268-180131172636756/datasets/export for details.
 
Data from some individual datasets included in this download may be licensed under less restrictive terms.
DOI: 10.15468/dl.s95fdn
title: Occurrence Download

description: A dataset containing 551 species occurrences available in GBIF matching the query:
{
 "and" : [
 "Continent is Asia",
 {
 "or" : [
 "Country is Malaysia",
 "Country is Indonesia"
 ]
 },
 "TaxonKey is Pongo pygmaeus (Linnaeus, 1760)"
 ]
}

 The dataset includes 551 records from 20 constituent datasets; see https://api.gbif.org/v1/occurrence/download/0230172-200613084148143/datasets/export for details.
 
Data from some individual datasets included in this download may be licensed under less restrictive terms.
DOI: 10.15468/dl.a43h9t
title: Occurrence Download

description: A dataset containing 1230212 species occurrences available in GBIF matching the query:
{
 "and" : [
 {
 "or" : [
 "Geometry POLYGON((-119.72955 34.50022,-118.38043 34.50022,-118.38043 35.33619,-119.72955 35.33619,-119.72955 34.50022))",
 "Geometry POLYGON((-116.65173 35.8385,-114.70496 35.86487,-116.15515 38.01819,-118.01733 37.55786,-116.65173 35.8385))"
 ]
 },
 "HasCoordinate is true",
 "HasGeospatialIssue is false",
 "OccurrenceStatus is Present",
 "TaxonKey is Aves"
 ]
}

 The dataset includes 1230212 records from 57 constituent datasets; see https://api.gbif.org/v1/occurrence/download/0267375-200613084148143/datasets/export for details.
 
Data from some individual datasets included in this download may be licensed under less restrictive terms.
DOI: 10.15468/dl.6df454
title: Occurrence Download

description: A dataset containing 3386 species occurrences available in GBIF matching the query:
{
 "or" : [
 "TaxonKey is Mazama gouazoubira gouazoubira",
 "TaxonKey is Mazama gouazoubira G.Fischer"
 ]
}

 The dataset includes 3386 records from 65 constituent datasets; see https://api.gbif.org/v1/occurrence/download/0325023-200613084148143/datasets/export for details.
 
Data from some individual datasets included in this download may be licensed under less restrictive terms.
DOI: 10.15468/dl.mxmkz3
title: Occurrence Download

description: A dataset containing 61 species occurrences available in GBIF matching the query:
{
 "and" : [
 {
 "or" : [
 "Geometry POLYGON((-141 60,-123 60,-123 70,-141 70,-141 60))",
 "Geometry POLYGON((-141.24023 57.98481,-121.37695 57.98481,-121.37695 69.65709,-141.24023 69.65709,-141.24023 57.98481))"
 ]
 },
 "HasGeospatialIssue is false",
 "OccurrenceStatus is Present",
 "TaxonKey is Salix setchelliana C.R.Ball"
 ]
}

 The dataset includes 61 records from 10 constituent datasets; see https://api.gbif.org/v1/occurrence/download/0256951-200613084148143/datasets/export for details.
 
Data from some individual datasets included in this download may be licensed under less restrictive terms.
DOI: 10.15468/dl.nrabva
title: Occurrence Download

description: A dataset containing 3991 species occurrences available in GBIF matching the query:
{
 "and" : [
 "HasCoordinate is true",
 "TaxonKey is Andropogon gayanus Kunth",
 "HasGeospatialIssue is false"
 ]
}

 The dataset includes 3991 records from 92 constituent datasets; see https://api.gbif.org/v1/occurrence/download/0013268-181003121212138/datasets/export for details.
 
Data from some individual datasets included in this download may be licensed under less restrictive terms.
DOI: 10.15468/dl.cjfjzb
title: Occurrence Download

description: A dataset containing 55574878 species occurrences available in GBIF matching the query:
{
 "and" : [
 "BasisOfRecord is Human Observation",
 "Geometry POLYGON((-128.87695 30.29701,-114.69727 30.29701,-114.69727 42.76852,-128.87695 42.76852,-128.87695 30.29701))",
 "HasCoordinate is true",
 "HasGeospatialIssue is false",
 "OccurrenceStatus is Present",
 "Year 2010-2021"
 ]
}

 The dataset includes 55574878 records from 50 constituent datasets; see https://api.gbif.org/v1/occurrence/download/0258008-200613084148143/datasets/export for details.
 
Data from some individual datasets included in this download may be licensed under less restrictive terms.
DOI: 10.15468/dl.vjvn87
title: Occurrence Download

description: A dataset containing 117146 species occurrences available in GBIF matching the query:
{
 "and" : [
 "DatasetKey is A global database for the distributions of crop wild relatives",
 "Country is Australia"
 ]
}

 The dataset includes 117146 records from 1 constituent datasets; see https://api.gbif.org/v1/occurrence/download/0325011-200613084148143/datasets/export for details.
 
Data from some individual datasets included in this download may be licensed under less restrictive terms.
DOI: 10.15468/dl.xnv9aq
title: Occurrence Download

description: A dataset containing 662 species occurrences available in GBIF matching the query:
{
 "and" : [
 "BasisOfRecord is Specimen",
 "Country is Honduras",
 "HasCoordinate is true",
 "HasGeospatialIssue is false",
 "OccurrenceStatus is Present",
 "TaxonKey is Myrtaceae"
 ]
}

 The dataset includes 662 records from 26 constituent datasets; see https://api.gbif.org/v1/occurrence/download/0213490-200613084148143/datasets/export for details.
 
Data from some individual datasets included in this download may be licensed under less restrictive terms.
DOI: 10.15468/dl.9vg0if
title: Occurrence Download

description: A dataset containing 9880 species occurrences available in GBIF matching the query:
{
 "and" : [
 {
 "or" : [
 "TaxonKey is Galium aristatum L.",
 "TaxonKey is Galium debile Desv.",
 "TaxonKey is Galium divaricatum Pourr. ex Lam.",
 "TaxonKey is Galium glaucum L.",
 "TaxonKey is Galium humifusum M.Bieb."
 ]
 },
 "HasCoordinate is true",
 "HasGeospatialIssue is false"
 ]
}

 The dataset includes 9880 records from 172 constituent datasets; see https://api.gbif.org/v1/occurrence/download/0013269-180508205500799/datasets/export for details.
 
Data from some individual datasets included in this download may be licensed under less restrictive terms.
DOI: 10.15468/dl.8enjbh
title: Occurrence Download

description: A dataset containing 2093 species occurrences available in GBIF matching the query:
{
 "and" : [
 "Continent is Africa",
 {
 "or" : [
 "Country is Benin",
 "Country is Guinea",
 "Country is Côte d’Ivoire",
 "Country is Ghana",
 "Country is Nigeria",
 "Country is Togo",
 "Country is Liberia",
 "Country is Burkina Faso",
 "Country is Cabo Verde",
 "Country is Niger",
 "Country is Guinea-Bissau",
 "Country is Gambia",
 "Country is Sierra Leone",
 "Country is Senegal",
 "Country is Mali"
 ]
 },
 "OccurrenceStatus is Present",
 "TaxonKey is Senna siamea (Lam.) H.S.Irwin & Barneby",
 "Year 1950-2021"
 ]
}

 The dataset includes 2093 records from 39 constituent datasets; see https://api.gbif.org/v1/occurrence/download/0265296-200613084148143/datasets/export for details.
 
Data from some individual datasets included in this download may be licensed under less restrictive terms.
DOI: 10.15468/dl.gnxazd
title: Occurrence Download

description: A dataset listing the 1088 species recorded in GBIF matching the query:
{
 "and" : [
 "Country is Mexico",
 "DatasetKey is EOD – eBird Observation Dataset",
 "Year 1990-2018"
 ]
}

 The dataset's 1088 records were derived from 1 constituent datasets; see https://api.gbif.org/v1/occurrence/download/0194312-200613084148143/datasets/export for details.
 
Data from some individual datasets included in this download may be licensed under less restrictive terms.