cometadata/datacite-titles-descriptions-related-identifiers huggingface dataset:
DOI: 10.5517/ccdc.csd.cc2mk97r
title: CCDC 2429694: Experimental Crystal Structure Determination

description: Related Article: Naoyuki Toriumi|2025|CSD Communication|||
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.cc2p02yr
title: CCDC 2472744: Experimental Crystal Structure Determination

description: Related Article: Khilesh C. Dwivedi, Gazal Sabharwal, Maravanji S. Balakrishna|2025|J.Organomet.Chem.|1042|123894|doi:10.1016/j.jorganchem.2025.123894
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.cc2p04ql
title: CCDC 2472799: Experimental Crystal Structure Determination

description: Related Article: Jin-Ping Wang, Yichen Wu, Peng Wang|2025|Chemical Science|16|20292|doi:10.1039/D5SC06539A
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: 10.7924/r44b3c06b
title: Data and scripts from: Temperature-dependent phonon linewidths and shifts in bismuth from inelastic neutron scattering

description: This is the data for the publication "Temperature-Dependent Phonon Linewidths and Shifts in Bismuth from Inelastic Neutron Scattering" that has been accepted by Physical Reviews Materials of the American Physics Society. The dataset includes results from first-principles simulations as well as inelastic scattering experiments. Simulations were performed using Ab-initio Molecular Dynamics (AIMD). Experimental data were collected at Oak Ridge National Laboratory. 

Bismuth exhibits a Peierls distortion away from a simple cubic structure, reflecting both an anharmonic potential energy surface and electron-phonon coupling in a semimetal. It has attracted considerable interest in studies of low-temperature thermal transport, thermoelectrics, and optical excitation of coherent phonon. Yet, the temperature-dependence of phonons in bismuth has remained relatively unexplored. We report extensive inelastic neutron scattering (INS) and first-principles simulations of the lattice dynamics in bismuth, including phonon energy shifts and linewidths as a function of temperature. Comprehensive four-dimensional data across the momentum (Q) - energy (E) space were collected at temperatures from 2 K to 300 K. Moreover, the intrinsic linewidth of TA modes was resolved using inelastic neutron spin echo with a Wollaston prism apparatus, surpassing the limitations of conventional neutron spectrometry techniques. Our results quantify the softening of phonon frequencies and suppression of phonon lifetimes at elevated temperatures, with experiments and simulations showing excellent agreement. Further, we analyzed the scattering phase space through simulations, assessing the scattering channels between acoustic and optic phonon modes that dominate the thermalization of photo-excited coherent optic phonons. These findings enhance our understanding of phonon-phonon interactions in bismuth and provide insights into the influence of lattice anharmonicity on its thermal properties.
DOI: 10.5517/ccdc.csd.cc2p0xc0
title: CCDC 2473532: Experimental Crystal Structure Determination

description: Related Article: Jiang Peng, Jieting He|2025|Cryst.Growth Des.|25|7457|doi:10.1021/acs.cgd.5c00531
description: Related Article: jiang Peng|2025|CSD Communication|||
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.cc2p3hlx
title: CCDC 2476019: Experimental Crystal Structure Determination

description: Related Article: Jiang Peng, Jieting He|2025|Cryst.Growth Des.|25|7457|doi:10.1021/acs.cgd.5c00531
description: Related Article: jiang Peng|2025|CSD Communication|||
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.cc2p496c
title: CCDC 2476782: Experimental Crystal Structure Determination

description: Related Article: Yao Zhou|2025|CSD Communication|||
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.cc2p4wb2
title: CCDC 2477344: Experimental Crystal Structure Determination

description: Related Article: Ismail Elhaty|2025|CSD Communication|||
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.cc2p4x81
title: CCDC 2477373: Experimental Crystal Structure Determination

description: Related Article: M TAMILELAKKIYA, MANOJ K S|2025|CSD Communication|||
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.cc2p59t0
title: CCDC 2477762: Experimental Crystal Structure Determination

description: Related Article: Jakob Blahusch, Bettina V. Lotsch|2025|CSD Communication|||
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.cc2p5fs3
title: CCDC 2477885: Experimental Crystal Structure Determination

description: Related Article: Ahmed Boshaala|2025|CSD Communication|||
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.cc2p5gr3
title: CCDC 2477915: Experimental Crystal Structure Determination

description: Related Article: Pokkuluri, Phani Raj, Hill, Ethan, Weerasuriya, Pamodya|2025|CSD Communication|||
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.cc2p5h4j
title: CCDC 2477927: Experimental Crystal Structure Determination

description: Related Article: Laura J. McCormick McPherson, Simon J. Coles|2025|CSD Communication|||
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.cc2p5h3h
title: CCDC 2477926: Experimental Crystal Structure Determination

description: Related Article: Laura J. McCormick McPherson, Simon J. Coles|2025|CSD Communication|||
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.cc2p5h5k
title: CCDC 2477928: Experimental Crystal Structure Determination

description: Related Article: Laura J. McCormick McPherson, Simon J. Coles|2025|CSD Communication|||
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.cc2p65lp
title: CCDC 2478592: Experimental Crystal Structure Determination

description: Related Article: Dongjing Hong|2025|CSD Communication|||
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.cc2pky29
title: CCDC 2489891: Experimental Crystal Structure Determination

description: Related Article: Yifei Zhou, Pim Vink, Ibrahim Kılınç, Olga O. Sokolova, Fedor M. Miloserdov|2025|Organometallics|||doi:10.1021/acs.organomet.5c00388
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.cc2pky3b
title: CCDC 2489892: Experimental Crystal Structure Determination

description: Related Article: Yifei Zhou, Pim Vink, Ibrahim Kılınç, Olga O. Sokolova, Fedor M. Miloserdov|2025|Organometallics|||doi:10.1021/acs.organomet.5c00388
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.cc2pky4c
title: CCDC 2489893: Experimental Crystal Structure Determination

description: Related Article: Yifei Zhou, Pim Vink, Ibrahim Kılınç, Olga O. Sokolova, Fedor M. Miloserdov|2025|Organometallics|||doi:10.1021/acs.organomet.5c00388
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.15833977
title: Leviathan Database (OceanDNA)

description: Built using OceanDNA catalog (https://www.nature.com/articles/s41597-022-01392-5) and clusters from VEBA (https://academic.oup.com/nar/article/52/14/e63/7697622)

 

Leviathan:

https://github.com/jolespin/leviathan
DOI: 10.5281/zenodo.15833978
title: Leviathan Database (OceanDNA)

description: Built using OceanDNA catalog (https://www.nature.com/articles/s41597-022-01392-5) and clusters from VEBA (https://academic.oup.com/nar/article/52/14/e63/7697622)

 

Leviathan:

https://github.com/jolespin/leviathan
DOI: 10.5517/ccdc.csd.cc2pky5d
title: CCDC 2489894: Experimental Crystal Structure Determination

description: Related Article: Yifei Zhou, Pim Vink, Ibrahim Kılınç, Olga O. Sokolova, Fedor M. Miloserdov|2025|Organometallics|||doi:10.1021/acs.organomet.5c00388
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.cc2pky6f
title: CCDC 2489895: Experimental Crystal Structure Determination

description: Related Article: Yifei Zhou, Pim Vink, Ibrahim Kılınç, Olga O. Sokolova, Fedor M. Miloserdov|2025|Organometallics|||doi:10.1021/acs.organomet.5c00388
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.cc2pky7g
title: CCDC 2489896: Experimental Crystal Structure Determination

description: Related Article: Yifei Zhou, Pim Vink, Ibrahim Kılınç, Olga O. Sokolova, Fedor M. Miloserdov|2025|Organometallics|||doi:10.1021/acs.organomet.5c00388
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.cc2pky8h
title: CCDC 2489897: Experimental Crystal Structure Determination

description: Related Article: Yifei Zhou, Pim Vink, Ibrahim Kılınç, Olga O. Sokolova, Fedor M. Miloserdov|2025|Organometallics|||doi:10.1021/acs.organomet.5c00388
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.cc2pn1kz
title: CCDC 2491921: Experimental Crystal Structure Determination

description: Related Article: Xinyi Li, Yushuang Zhang, Zixu Wang, Zhe He, Lei Xu, Gengwen Tan|2025|Organometallics|||doi:10.1021/acs.organomet.5c00382
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.cc2pngys
title: CCDC 2492336: Experimental Crystal Structure Determination

description: Related Article: Lewan Li, Mengxiang Luo, Yuqing Zhang, Huan Li, Xuyang Gong, Ruiqi Liao, Huaiyu Huang, Xiaoqiong Fu, Jian Lv, Shuangxi Gu, Haifeng Wang|2025|Org.Lett.|||doi:10.1021/acs.orglett.5c03859
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.cc2pn1jy
title: CCDC 2491920: Experimental Crystal Structure Determination

description: Related Article: Xinyi Li, Yushuang Zhang, Zixu Wang, Zhe He, Lei Xu, Gengwen Tan|2025|Organometallics|||doi:10.1021/acs.organomet.5c00382
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.cc2psdd9
title: CCDC 2496101: Experimental Crystal Structure Determination

description: Related Article: Malati Das, Vikash Kumar, Chitrothu Venkatesh, Parthasarathy Gandeepan|2025|J.Org.Chem.|||doi:10.1021/acs.joc.5c01976
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.cc2pyddg
title: CCDC 2500906: Experimental Crystal Structure Determination

description: Related Article: Martin Nieger, Oliver Puntigam, Dietrich Gudat|2025|CSD Communication|||
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.f8z6hv
title: Occurrence Download

description: A dataset containing 492 species occurrences available in GBIF matching the query:
{
 "and" : [
 "HasGeospatialIssue is false",
 "HasCoordinate is true",
 "OccurrenceStatus is Present",
 "BasisOfRecord is one of (Human Observation, Specimen)",
 "TaxonKey is Drymonia conchocalyx"
 ]
}

 The dataset includes 492 records from 24 constituent datasets; see https://api.gbif.org/v1/occurrence/download/0021061-251120083545085/datasets/export for details.
 
Data from some individual datasets included in this download may be licensed under less restrictive terms.
DOI: 10.15468/dl.d3v5ke
title: Occurrence Download

description: A dataset containing 43114 species occurrences available in GBIF matching the query:
{
 "and" : [
 "BasisOfRecord is one of (Machine Observation, Human Observation)",
 "Country is one of (Italy, Switzerland, France, Austria, Slovenia)",
 "HasCoordinate is true",
 "HasGeospatialIssue is false",
 "TaxonKey is Lynx lynx"
 ]
}

 The dataset includes 43114 records from 117 constituent datasets; see https://api.gbif.org/v1/occurrence/download/0021062-251120083545085/datasets/export for details.
 
Data from some individual datasets included in this download may be licensed under less restrictive terms.
DOI: 10.17026/ar/qizzxd
title: PAN-00155291 - terra sigillata bowl type Drag. 37 (C-EG)

description: &lt;p&gt;This find is registered at Portable Antiquities of the Netherlands with number PAN-00155291&lt;/p&gt;
description: Modified: 2025-04-26T10:54:32+02:00
DOI: 10.17169/refubium-47893
title: Correlative Characterization of Molecular Two-Dimensional van der Waals Material Heterostructures on the Nanometer Scale

description: In the design of nanoscale materials, hybrid van der Waals heterostructures that integrate the excitonic landscape of atomically thin transition metal dichalcogenide (TMDC) semiconductors with molecular electric dipoles offer enhanced control over light–matter interactions and charge carrier dynamics. Even minor deviations in homogeneity can profoundly affect their optoelectronic properties and, consequently, device performance, necessitating stringent quality control capable of probing structural and compositional divergences down to the nanoscale. However, the reliable characterization of such complex, multilayered systems remains challenging due to the interplay of chemical, structural, and optical inhomogeneities across different length scales. In this study, we examine a trilayer heterostructure consisting of chemical vapor deposition (CVD) graphene (G), a self-assembled layer of Rhodamine 6G (R6G), and a transferred monolayer MoS₂ (G/R6G/MoS₂), incorporating regions of a tri- and multilayer MoS₂ as well. Comprehensive structural and optical characterization was performed to identify possible inhomogeneities, employing photoluminescence (PL) spectroscopy, Raman spectroscopy, Kelvin probe force microscopy (KPFM), and scattering-type scanning near-field optical microscopy (s-SNOM). Analytical methods indicate that the TMDC layer has almost uniform molecular coverage and preserved crystallinity. Importantly, near-field optical imaging demonstrates the propagation of exciton-polaritons in MoS₂, with a clear redshift of the polariton wavelength upon R6G integration, signifying substantial modulation of the local dielectric environment and excitonic response. These findings underscore the tunability of hybrid 2D molecular–inorganic interfaces and their promise for advanced applications in nanophotonic devices, excitonic circuitry, and quantum optoelectronics.
DOI: 10.5281/zenodo.17707214
title: Ultracataclastic vein evolution within a granodiorite along the Naxos-Paros Detachment System - Data and MTEX Scripts

description: Accompanying datasets and scripts for the manuscript "Ultracataclastic vein evolution within a granodiorite along the Naxos-Paros Detachment System" (2025-12). In review, Journal of Structural Geology. 

Rolfe, O., Dubosq, R., Schneider, D.A., Zaefferer, S., Grasemann, B. 

Contents: 

Naxos EBSD files - EBSD ang files and MTEX scripts

Naxos EMPA files - EMPA txt files for Xmap tools 

Naxos mXRF files - micro-XRF txt files for Xmap tools

For inquires regarding the data or scripts please contact Olivia Rolfe at orolfe@student.ubc.ca
DOI: 10.5281/zenodo.17707213
title: Ultracataclastic vein evolution within a granodiorite along the Naxos-Paros Detachment System - Data and MTEX Scripts

description: Accompanying datasets and scripts for the manuscript "Ultracataclastic vein evolution within a granodiorite along the Naxos-Paros Detachment System" (2025-12). In review, Journal of Structural Geology. 

Rolfe, O., Dubosq, R., Schneider, D.A., Zaefferer, S., Grasemann, B. 

Contents: 

Naxos EBSD files - EBSD ang files and MTEX scripts

Naxos EMPA files - EMPA txt files for Xmap tools 

Naxos mXRF files - micro-XRF txt files for Xmap tools

For inquires regarding the data or scripts please contact Olivia Rolfe at orolfe@student.ubc.ca