cometadata/datacite-titles-descriptions-related-identifiers huggingface dataset:
DOI: 10.5517/ccdc.csd.cc2ngfp8
title: CCDC 2456740: Experimental Crystal Structure Determination

description: Related Article: Matthew J. Evans, Cameron Jones|2025|Chem.Commun.|61|11814|doi:10.1039/D5CC03202D
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.pfrwu6
title: Occurrence Download

description: A dataset containing 559479 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 (Crotophaga ani)",
 "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 559479 records from 521 constituent datasets; see https://api.gbif.org/v1/occurrence/download/0080338-250717081556266/datasets/export for details.
 
Data from some individual datasets included in this download may be licensed under less restrictive terms.
DOI: 10.25505/fiz.icsd.cc2nr61p
title: CSD 2465152: Experimental Crystal Structure Determination

description: Related Article: Ian Colliard, Vitalie Stavila, Gauthier J.-P. Deblonde|2025|Chem.Commun.|61|11858|doi:10.1039/D5CC03481G
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: 10.23729/fd-c5c0a49d-8f1d-3c9e-ba2d-4e3990df5d9d
title: Machine learning interatomic potential to study radiation-induced damage in 3C-SiC - The dataset

description: This dataset contains atomic structures used to train a machine learning interatomic potential (MLIP) with the Gaussian Approximation Potential (GAP) framework. Designed to study radiation damage at the atomistic level, it includes the following configurations: dimers; elastically distorted bulk 3C-SiC, bulk Si, and bulk C; thermalized supercells at different temperatures and lattice constants; vacancies, di-vacancies, and tri-vacancies; antisites; tetrahedral, hexagonal, and split interstitials; liquid; mid-quench; and amorphous phases. The structures are stored in extended XYZ format. Each configuration is tagged with the total energy, atomic forces, and virial stresses calculated with DFT at the PBE level using the VASP code. Each structure is a member of a configurational category identified by the "config_type" keyword. Additional information about each structure is stored under the "sub_config" keyword. Details regarding the dataset's creation and DFT calculations are presented in the paper's supplementary material.
DOI: 10.15468/dl.6b7m75
title: Occurrence Download

description: A dataset containing 129 species occurrences available in GBIF matching the query:
{
 "TaxonKey" : [
 "is one of (Tapinoma ibericum, Tapinoma darioi)"
 ]
}

 The dataset includes 129 records from 11 constituent datasets; see https://api.gbif.org/v1/occurrence/download/0080370-250717081556266/datasets/export for details.
 
Data from some individual datasets included in this download may be licensed under less restrictive terms.
DOI: 10.5517/cc5j71y
title: CCDC 164549: Experimental Crystal Structure Determination

description: Related Article: L.M.Liable-Sands, C.Incarvito, A.L.Rheingold, C.Jin Qin, A.L.Gavrilova, B.Bosnich|2001|Inorg.Chem.|40|2147|doi:10.1021/ic0012625
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/cc5d16s
title: CCDC 160524: Experimental Crystal Structure Determination

description: Related Article: O.J.Dautel, M.Fourmigue|2001|Inorg.Chem.|40|2083|doi:10.1021/ic0013835
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/cc5j72z
title: CCDC 164550: Experimental Crystal Structure Determination

description: Related Article: N.Maiti, S.Pal, S.Chattopadhyay|2001|Inorg.Chem.|40|2204|doi:10.1021/ic000369p
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/cc5292l
title: CCDC 151158: Experimental Crystal Structure Determination

description: Related Article: J.Lewinski, J.Zachara, T.Kopec, K.B.Starowieyski, J.Lipkowski, I.Justyniak, E.Kolodziejczyk|2001|Eur.J.Inorg.Chem.|2001|1123|doi:10.1002/1099-0682(200105)2001:5<1123::AID-EJIC1123>3.0.CO;2-U
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/cc5d17t
title: CCDC 160525: Experimental Crystal Structure Determination

description: Related Article: O.J.Dautel, M.Fourmigue|2001|Inorg.Chem.|40|2083|doi:10.1021/ic0013835
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/cc5293m
title: CCDC 151159: Experimental Crystal Structure Determination

description: Related Article: J.Lewinski, J.Zachara, T.Kopec, K.B.Starowieyski, J.Lipkowski, I.Justyniak, E.Kolodziejczyk|2001|Eur.J.Inorg.Chem.|2001|1123|doi:10.1002/1099-0682(200105)2001:5<1123::AID-EJIC1123>3.0.CO;2-U
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/cc5j7pl
title: CCDC 164569: Experimental Crystal Structure Determination

description: Related Article: Dongwhan Lee, S.J.Lippard|2002|Inorg.Chim.Acta|341|1|doi:10.1016/S0020-1693(02)01200-8
description: Related Article: Dongwhan Lee, S.J.Lippard|2001|J.Am.Chem.Soc.|123|4611|doi:10.1021/ja0100930
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/cc5j7qm
title: CCDC 164570: Experimental Crystal Structure Determination

description: Related Article: Dongwhan Lee, S.J.Lippard|2001|J.Am.Chem.Soc.|123|4611|doi:10.1021/ja0100930
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/cc5j7rn
title: CCDC 164571: Experimental Crystal Structure Determination

description: Related Article: Dongwhan Lee, S.J.Lippard|2002|Inorg.Chem.|41|827|doi:10.1021/ic011008s
description: Related Article: Dongwhan Lee, S.J.Lippard|2001|J.Am.Chem.Soc.|123|4611|doi:10.1021/ja0100930
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/cc57ksq
title: CCDC 156233: Experimental Crystal Structure Determination

description: Related Article: M.J.Manos, A.J.Tasiopoulos, C.Raptopoulou, A.Terzis, J.D.Woollins, A.M.Z.Slawin, A.D.Keramidas, T.A.Kabanos|2001|J.Chem.Soc.,Dalton Trans.||1556|doi:10.1039/b102095l
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/cc5j7sp
title: CCDC 164572: Experimental Crystal Structure Determination

description: Related Article: Dongwhan Lee, S.J.Lippard|2002|Inorg.Chem.|41|827|doi:10.1021/ic011008s
description: Related Article: Dongwhan Lee, S.J.Lippard|2001|J.Am.Chem.Soc.|123|4611|doi:10.1021/ja0100930
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/cc57krp
title: CCDC 156232: Experimental Crystal Structure Determination

description: Related Article: M.J.Manos, A.J.Tasiopoulos, C.Raptopoulou, A.Terzis, J.D.Woollins, A.M.Z.Slawin, A.D.Keramidas, T.A.Kabanos|2001|J.Chem.Soc.,Dalton Trans.||1556|doi:10.1039/b102095l
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/cc57ktr
title: CCDC 156234: Experimental Crystal Structure Determination

description: Related Article: M.J.Manos, A.J.Tasiopoulos, C.Raptopoulou, A.Terzis, J.D.Woollins, A.M.Z.Slawin, A.D.Keramidas, T.A.Kabanos|2001|J.Chem.Soc.,Dalton Trans.||1556|doi:10.1039/b102095l
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/cc5dwm1
title: CCDC 161343: Experimental Crystal Structure Determination

description: Related Article: Y.Yamamoto, T.Suzuki, S.Kaizaki|2001|J.Chem.Soc.,Dalton Trans.||1566|doi:10.1039/b010243l
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/cc5dwn2
title: CCDC 161344: Experimental Crystal Structure Determination

description: Related Article: Y.Yamamoto, T.Suzuki, S.Kaizaki|2001|J.Chem.Soc.,Dalton Trans.||1566|doi:10.1039/b010243l
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/cc5dwp3
title: CCDC 161345: Experimental Crystal Structure Determination

description: Related Article: Y.Yamamoto, T.Suzuki, S.Kaizaki|2001|J.Chem.Soc.,Dalton Trans.||1566|doi:10.1039/b010243l
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/cc57bsh
title: CCDC 156016: Experimental Crystal Structure Determination

description: Related Article: Zong-Wan Mao, G.Liehr, R.van Eldik|2001|J.Chem.Soc.,Dalton Trans.||1593|doi:10.1039/b100160o
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/cc5dwq4
title: CCDC 161346: Experimental Crystal Structure Determination

description: Related Article: Y.Yamamoto, T.Suzuki, S.Kaizaki|2001|J.Chem.Soc.,Dalton Trans.||1566|doi:10.1039/b010243l
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/cc57btj
title: CCDC 156017: Experimental Crystal Structure Determination

description: Related Article: Zong-Wan Mao, G.Liehr, R.van Eldik|2001|J.Chem.Soc.,Dalton Trans.||1593|doi:10.1039/b100160o
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/cc5f9sn
title: CCDC 161751: Experimental Crystal Structure Determination

description: Related Article: A.N.Christensen, A.Bareges, R.B.Nielsen, R.G.Hazell, P.Norby, J.C.Hanson|2001|J.Chem.Soc.,Dalton Trans.||1611|doi:10.1039/b009677f
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/cc5f9tp
title: CCDC 161752: Experimental Crystal Structure Determination

description: Related Article: A.N.Christensen, A.Bareges, R.B.Nielsen, R.G.Hazell, P.Norby, J.C.Hanson|2001|J.Chem.Soc.,Dalton Trans.||1611|doi:10.1039/b009677f
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/cc5d1zk
title: CCDC 160548: Experimental Crystal Structure Determination

description: Related Article: A.J.Barton, N.J.Hill, W.Levason, G.Reid|2001|J.Chem.Soc.,Dalton Trans.||1621|doi:10.1039/b100782n
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/cc5d20m
title: CCDC 160549: Experimental Crystal Structure Determination

description: Related Article: A.J.Barton, N.J.Hill, W.Levason, G.Reid|2001|J.Chem.Soc.,Dalton Trans.||1621|doi:10.1039/b100782n
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/cc5d1yj
title: CCDC 160547: Experimental Crystal Structure Determination

description: Related Article: A.J.Barton, N.J.Hill, W.Levason, G.Reid|2001|J.Chem.Soc.,Dalton Trans.||1621|doi:10.1039/b100782n
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/cc5d22p
title: CCDC 160551: Experimental Crystal Structure Determination

description: Related Article: A.J.Barton, N.J.Hill, W.Levason, G.Reid|2001|J.Chem.Soc.,Dalton Trans.||1621|doi:10.1039/b100782n
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/cc55d3t
title: CCDC 154135: Experimental Crystal Structure Determination

description: Related Article: O.L.Casagrande Junior, E.L.S.Gomes, J.Dupont, R.Burrow, A.J.Lough|2001|J.Chem.Soc.,Dalton Trans.||1634|doi:10.1039/b009591p
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/cc5d21n
title: CCDC 160550: Experimental Crystal Structure Determination

description: Related Article: A.J.Barton, N.J.Hill, W.Levason, G.Reid|2001|J.Chem.Soc.,Dalton Trans.||1621|doi:10.1039/b100782n
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/cc5025d
title: CCDC 149022: Experimental Crystal Structure Determination

description: Related Article: A.Shivanyuk, M.Saadioui, F.Broda, I.Thondorf, M.O.Vysotsky, K.Rissanen, E.Kolehmainen, V.Bohmer|2004|Chem.-Eur.J.|10|2138|doi:10.1002/chem.200305633
description: Related Article: A.Shivanyuk, E.F.Paulus, K.Rissanen, E.Kolehmainen, V.Bohmer|2001|Chem.-Eur.J.|7|1944|doi:10.1002/1521-3765(20010504)7:9<1944::AID-CHEM1944>3.0.CO;2-2
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/cc55d4v
title: CCDC 154136: Experimental Crystal Structure Determination

description: Related Article: O.L.Casagrande Junior, E.L.S.Gomes, J.Dupont, R.Burrow, A.J.Lough|2001|J.Chem.Soc.,Dalton Trans.||1634|doi:10.1039/b009591p
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/cc5026f
title: CCDC 149023: Experimental Crystal Structure Determination

description: Related Article: A.Shivanyuk, M.Saadioui, F.Broda, I.Thondorf, M.O.Vysotsky, K.Rissanen, E.Kolehmainen, V.Bohmer|2004|Chem.-Eur.J.|10|2138|doi:10.1002/chem.200305633
description: Related Article: A.Shivanyuk, E.F.Paulus, K.Rissanen, E.Kolehmainen, V.Bohmer|2001|Chem.-Eur.J.|7|1944|doi:10.1002/1521-3765(20010504)7:9<1944::AID-CHEM1944>3.0.CO;2-2
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/cc5027g
title: CCDC 149024: Experimental Crystal Structure Determination

description: Related Article: A.Shivanyuk, M.Saadioui, F.Broda, I.Thondorf, M.O.Vysotsky, K.Rissanen, E.Kolehmainen, V.Bohmer|2004|Chem.-Eur.J.|10|2138|doi:10.1002/chem.200305633
description: Related Article: A.Shivanyuk, E.F.Paulus, K.Rissanen, E.Kolehmainen, V.Bohmer|2001|Chem.-Eur.J.|7|1944|doi:10.1002/1521-3765(20010504)7:9<1944::AID-CHEM1944>3.0.CO;2-2
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.