en:
This dataset contains the data (as well as the code required to generate the data) for the numerical experiments of our manuscript "Quantum Finite Temperature Lanczos Method".

Abstract:

The computation of thermal properties of quantum many-body systems is a central challenge in our understanding of quantum mechanics. We introduce the Quantum Finite Temperature Lanczos Method (QFTLM), which extends the finite-temperature Lanczos method to quantum computers by combining real-time quantum Krylov methods with efficient preparation of typical states for trace estimation. This approach enables the computation of thermal expectation values while avoiding the exponential scaling inherent to classical exact simulation techniques. Numerical experiments on the transverse-field Ising model show that QFTLM can reproduce thermal observables over a wide temperature range. We further analyze the influence of Krylov dimension, number of trace-estimator states, and Trotter error, and show that suitable regularization is essential for robustness in noisy settings. These results establish QFTLM as a promising framework for finite-temperature quantum simulation.

en: Data for manuscript on the quantum finite temperature Lanczos method

finite-temperature

display_name: finite-temperature

krylov

display_name: krylov

lanczos

display_name: lanczos

quantum

display_name: quantum

simulation

display_name: simulation


$oid: OBSOLETE

materialscloud

approval_status: approved

en:
Materials Cloud is a platform built to enable the seamless sharing and dissemination of resources in computational materials science, offering educational, research, and archiving tools; simulation software and services; and curated and raw data. These underpin published results and empower data-based discovery, compliant with data management plans and the FAIR principles.

In the Materials Cloud you can browse, explore, download, or deposit raw and curated data (in the Discover, Explore, and Archive sections); you can access cloud or redeployable simulation services (from AiiDAlab turnkey simulations to the Quantum Mobile virtual machine, the AiiDA registry of plugins and workflows, and the OSSCAR notebooks, in the Work section), and you can use all our educational material, tutorials and lectures (in the Learn section).

en: Materials Cloud

de: Materials Cloud

fr: Materials Cloud

it: Materials Cloud

political_level: other

state: active

type: organization

psi

capacity: public

type: dataset

key: guid

key: uri

value: DCAT Harvester Materials Cloud

envi

de: Umwelt

en: Environment

fr: Environnement

it: Ambiente


en: We establish a quantitative relation between the altermagnetic spin-splitting and different higher order multipoles of the charge and magnetization density around the magnetic atoms. Magnetic multipoles such as octupoles or triakontadipoles have been suggested as potential ferroic order parameters for d- and g-wave altermagnetism, respectively, based mainly on qualitative symmetry arguments. We use first-principles-based electronic structure calculations to establish a clear quantitative relation between the strength of the altermagnetic spin splitting and the magnitude of certain local multipoles. We vary the magnitude of these multipoles either by applying an appropriate constraint on the charge density or by varying a corresponding structural distortion mode, using two simple perovskite materials, SrCrO₃ and LaVO₃, as model systems. Our analysis indicates that in general the altermagnetic spin splitting is not exclusively determined by the lowest order nonzero magnetic multipole, but results from a superposition of contributions from different multipoles with comparable strength, suggesting the need for a multi-component order parameter to describe altermagnetism. We also discuss different measures to quantify the overall spin-splitting of a material, without relying on features that might be specific to only individual bands.

en: Multipoles as quantitative order parameters for altermagnetic spin splitting

altermagnetism

display_name: altermagnetism

dft

display_name: dft

multipoles

display_name: multipoles


en: This repository accompanies the manuscript “Optical selection rules in hexagonal Ge polytypes and their lifting by symmetry perturbation” and contains vasprun.xml files of all calculations. The manuscript presents DFT calculations made with VASP of the 2H, 4H and 6H polytypes of Ge and SiGe and discusses their electronic and optical properties. The first part presents transition matrix elements and the radiative lifetimes. The second part presents the dielectric functions and absorptions of the structures from model BSE calculations.

en: Data availability for "Optical selection rules in hexagonal Ge polytypes and their lifting by symmetry perturbation"

condensed-matter-physics

display_name: condensed-matter-physics

hexagonal-ge

display_name: hexagonal-ge

model-bse

display_name: model-bse

optoelectronic-materials

display_name: optoelectronic-materials

polytypes

display_name: polytypes


en: Maximally-localized Wannier functions are quantum wavefunctions resembling atomic orbitals that are used to describe electrons in condensed matter. Since their introduction in 1997, these functions have become ubiquitous in ab initio materials simulations, including applications in linear-scaling methods, strongly correlated electron systems, quantum transport, electron-phonon interactions, and topological materials. Despite their widespread adoption in a vast software ecosystem, Wannier functions have not yet attained their fullest potential in the presence of entangled bands, as their optimization remains challenging and labor-intensive. Here, we introduce a universal meta-optimization method that leverages workflow abstraction and machine-learning techniques like differential evolution and Bayesian optimization to generate globally optimized Wannier functions without human intervention. We demonstrate this approach through three applications: (i) autonomous interpolation of entangled band structures with millielectronvolt accuracy starting from coarse Brillouin zone grids, (ii) thousand-fold acceleration of fully ab initio Boltzmann transport calculations via the use of minimal coarse Brillouin zone grids, and (iii) ultrafast high-throughput calculations of high-precision Wannier functions for large materials libraries. This work brings calculations that previously required supercomputers within the reach of personal computers.The data generated in this work and reported in the manuscript is attached in the Data.tar.gz with full description in the Readme.md.

en: Meta-optimization of maximally-localized Wannier functions

machine-learning

display_name: machine-learning

meta-optimization

display_name: meta-optimization

wannier-functions

display_name: wannier-functions


en: This record contains the computational data associated with the manuscript “Distinct O2 activation regimes and an activation–removal trade-off at 3d-metal-doped MoS2 sulfur vacancies” by Park and Kim. The dataset includes optimized atomic structures, representative VASP input templates, and curated tabulated data supporting the reported adsorption energies, structural parameters, electronic descriptors, and kinetic benchmarks for Fe-, Co-, Ni-, and Cu-doped MoS2 sulfur vacancies. The data are intended to support reproducibility of the figures and tables in the manuscript and the Supporting Information. Detailed descriptions of the individual files and folders are provided in the accompanying README.txt file.

en: Computational dataset for distinct O2 activation regimes and an activation–removal trade-off at 3d-metal-doped MoS2 sulfur vacancies

cohp

display_name: cohp

density-functional-theory

display_name: density-functional-theory

electronic-structure-descriptors

display_name: electronic-structure-descriptors

oxygen-activation

display_name: oxygen-activation

single-atom-catalyst

display_name: single-atom-catalyst

strain-engineering

display_name: strain-engineering

sulfur-vacancy

display_name: sulfur-vacancy

transition-metal-doping

display_name: transition-metal-doping


en: Interatomic potentials remain a critical bottleneck for accurate large-scale atomistic simulations. Machine-learning potentials provide a promising route to overcoming this limitation; however, the construction of property-relevant training datasets remains a major challenge. Here, we propose an active-learning strategy based on property balancing, in which the fraction of atomic environments associated with pre-identified key material properties is dynamically optimized during training. We demonstrate this strategy for pure magnesium, whose macroscopic plastic deformation is governed by several subtle dislocation transformations that place stringent demands on potential accuracy. Using the proposed strategy, we develop a Behler–Parrinello-type neural-network potential that captures these dislocation-mediated mechanisms with a level of accuracy that has been difficult to achieve in previous studies of magnesium. The successful application to magnesium highlights the versatility and effectiveness of property balancing as a general strategy for developing machine-learning potentials for metallic systems with multiple competing property requirements. This approach provides a practical pathway toward predictive mechanistic simulations of structural metals.

en: Property-balancing active learning strategy for machine learning interatomic potentials: case study on dislocation mechanics in magnesium

dislocation

display_name: dislocation

magnesium

display_name: magnesium

neural-network-potential

display_name: neural-network-potential


en: These data characterize the activation processes of CoSn(OH)6-based electrocatalysts for the oxygen evolution reaction in alkaline conditions. Crystalline (CoSn25), crystalline defective (CoSn150) and amorphous (CoSn300) catalysts with identical metal compositions from the same precursor batch were considered. The operando X-ray diffraciton and X-ray abosorption spectroscopy indicate that crystalline and amorphous catalysts take different reconstruction pathways under the reaction conditions. Co L-edge total electron yield data indicate that a metal-ligand charge transfer surface state is formed during electrochemical activation that correlates well with the observed electrochemical activity.

en: Characteristic data of the CoSn(OH)6 alkaline electrochemical activation processes.

electrocatalysis

display_name: electrocatalysis

oer

display_name: oer

operando

display_name: operando

oxygen-evolution-reaction

display_name: oxygen-evolution-reaction

synchrotron

display_name: synchrotron

x-ray-absorption-spectroscopy

display_name: x-ray-absorption-spectroscopy

x-ray-diffraction

display_name: x-ray-diffraction


en: This dataset contains structural minima, saddle-point structures, and transformation pathways of magic-size gold nanoclusters. Gold nanoclusters exhibit a complex energy landscape characterized by competing structural motifs and narrow energy gaps, which facilitate structural coexistence and rapid interconversion. In this study, we employ a high-accuracy machine-learned potential, trained on 20,000 density functional theory reference points, to investigate the structural transformation pathways of Au55, Au147, Au309, and Au561 nanoclusters. Our analysis encompasses transitions between cuboctahedral, Ino's decahedral, and icosahedral geometries. Saddle point searches reveal that high-symmetry transformations are governed by "jitterbug"-type and slip-dislocation motions. Furthermore, we identify lower-barrier, asymmetric pathways that facilitate the transition into disordered, Jahn–Teller-stabilized distorted icosahedra. Using Minima Hopping sampling, we uncover a variety of low-symmetry minima, including new global minima for Au309 and Au561 that are up to 2.8 eV lower in energy than previously reported structures. In contrast to prior computational results, our predicted transformation pathways are in qualitative agreement with experimental observations, suggesting that these newly identified disordered motifs are central to the structural evolution of gold nanoclusters.

en: The transformation mechanisms among cuboctahedra, Ino's decahedra and icosahedra structures of magic-size gold nanoclusters

dft

display_name: dft

machine-learning

display_name: machine-learning

nanoclusters

display_name: nanoclusters


materialscloud

en:
Materials Cloud is a platform built to enable the seamless sharing and dissemination of resources in computational materials science, offering educational, research, and archiving tools; simulation software and services; and curated and raw data. These underpin published results and empower data-based discovery, compliant with data management plans and the FAIR principles.

In the Materials Cloud you can browse, explore, download, or deposit raw and curated data (in the Discover, Explore, and Archive sections); you can access cloud or redeployable simulation services (from AiiDAlab turnkey simulations to the Quantum Mobile virtual machine, the AiiDA registry of plugins and workflows, and the OSSCAR notebooks, in the Work section), and you can use all our educational material, tutorials and lectures (in the Learn section).


en: This dataset provides the computational data supporting the manuscript entitled "Molybdenum Oxidation State Governs Brønsted–Lewis Acid Synergy in Dimethyl Oxalate Transesterification" by Li et al., providing all computational data underlying the reported adsorption behaviors on MoO3(010) and MoO2(011) surfaces. It includes optimized bulk and surface structures, representative CP2K input/output files, and post-processed electron density data, enabling reproducibility of the adsorption energies and electron density difference maps for dimethyl oxalate (DMO) and ethanol. The calculations reveal that DMO adsorbs more strongly on MoO3(010) (−0.9 eV) than on MoO2(011) (−0.7 eV), reflecting more facile Lewis acid activation by the Mo6+-dominated surface. Electron density accumulates between the surface Mo and the carbonyl O atom, while the carbonyl C loses density, indicating polarization of the molecule upon adsorption. Ethanol adsorption shows even more pronounced differences: on MoO3(010), it interacts either with a surface Lewis acidic Mo atom or a Brønsted acidic Mo–OH site, both configurations exhibiting similar adsorption energies of approximately −1.1 eV. Adsorption on the Lewis acid site induces electron accumulation at the Mo–O bond and activation of the hydroxyl H, whereas adsorption on the Brønsted acid site increases the overall electronegativity of ethanol, enhancing its nucleophilicity. In contrast, ethanol binds weakly (−0.1 eV) to MoO2(011) via a hydrogen bond with a surface O atom, with negligible interaction with Mo sites. All data are organized in a comprehensive folder structure covering bulk crystal models, isolated molecules, surface optimizations, and adsorption energy evaluations, with hydroxylated and non-hydroxylated MoO3 surfaces included. Computational settings employ CP2K (GPW) with PBEsol for structural optimizations and BEEF-vdW for energy calculations, along with specified basis sets, k-point sampling, and slab models. The dataset enables verification of all figures and tables in the manuscript and facilitates detailed analysis of Brønsted–Lewis acid synergy in MoOx-catalyzed transesterification.

en: Materials Cloud

en: Data for the adsorption properties of dimethyl oxalate and ethanol on the MoO3(010) and MoO2(011) surfaces

adsorption

display_name: adsorption

dimethyl-oxalate

display_name: dimethyl-oxalate

electron-density-difference

display_name: electron-density-difference

moox

display_name: moox


envi

en: Environment


en: Functionalizing Silicon Nanowires (SiNWs) through covalent attachment of organic molecules offers diverse advantages, including surface passivation, introduction of new functionalities, and enhanced material performance in applications like electronic devices and biosensors. Given the wide range of available functional molecules, systematic large-scale screening is crucial. Therefore, we developed an automated computational workflow using Python scripts in conjunction with the AiiDa framework to explore structural configurations of functional molecules adsorbed onto silicon surfaces. This workflow generates multiple adhesion configurations corresponding to different binding orientations using surface and functional molecule structures as inputs. This dataset contains data related to the structural optimization of molecules with single, double, and triple carbon-carbon bonds attached to the nanowire surface in various adhesion configurations. We describe the chemisorption on SiNWs using the slab models for the Si facets since our reference are samples with diameters of SiNWs around 50 nm, while the quantum confinement effects are important for diameters below 10 nm. For each configuration, structural characterization was conducted by calculating quantities including the bond distance between the two carbons closest to the surface and their respective bond angle relative to the z-axis, the carbon-silicon bond distance and its respective bond angle relative to the z-axis, along with the molecule's rotation angle in the xy plane. The values obtained are summarized in the main folder. The version v1 of dataset contains data related to the Si(111) surface and alkanes, alkenes, and alkynes with lengths from C2 to C10. The version v2 and v3 include also the moieties from C12 to C18. The version v4 extends the dataset with the data related to the Si(110) surface and alkanes, alkenes, and alkynes with lengths from C2 to C18. The version v5 also includes the optimized structures of SiNWs oriented along ⟨112⟩, exposing Si(110) and Si(111) facets, and featuring three different sizes: small (d = 0.7 nm), medium (d = 1.7 nm), and large (d = 2.6 nm). In this version (v6) the relaxation calculations for all the considered moieties are provided. For each system the most stable configuration is identified, and the analysis of the electronic properties is conducted in the listed references.

en: Density functional theory study of silicon nanowire surfaces functionalized by grafting organic molecules

aliphatic-molecules

display_name: aliphatic-molecules

nanowires

display_name: nanowires

silicon

display_name: silicon

surface-adsorption

display_name: surface-adsorption


en:
Semilocal density functionals such as the Perdew-Burke-Ernzerhof (PBE) functional notoriously underestimate experimental band gaps. Hybrid functionals address this “band gap problem” by admixing a fraction of Fock exchange to semilocal exchange. The optimal mixing parameter depends on the specific material and can be identified as the inverse dielectric constant (dielectric-dependent hybrid functional, DDH). Here, we show that dielectric constants obtained using the r²SCAN meta-GGA functional are significantly more accurate than dielectric constants obtained using the semilocal PBE functional. We propose the DD-r²SCANH functional, a dielectric-dependent hybrid functional based on r²SCAN. DD-r²SCANH can outperform the standard PBE-based DDH in terms of band gaps and other electronic structure properties. Particularly impressive improvements are obtained for narrow-gap semiconductors such as Ge and InAs, where PBE wrongly predicts a metallic phase, but r²SCAN opens a band gap.

Here, we provide VASP input files for DD-r²SCANH, and further we provide the crystal structures used for our band gap benchmark in POSCAR format.

en: Dielectric-dependent hybrid functional from meta-GGA

density-functional-theory

display_name: density-functional-theory

electronic-bands

display_name: electronic-bands

electronic-structure

display_name: electronic-structure


en: Abstract [Accepted in Phys. Rev. Lett.]: Accurate prediction of carrier mobility is critical for the discovery and design of next-generation electronic materials. Despite sustained progress, state-of-the-art ab initio methods remain limited by the approximate treatment of electron-phonon interactions at the density functional theory level. Here, we demonstrate that incorporating many-body GW corrections to both the electronic band structure and electron-phonon couplings when solving the ab initio Boltzmann transport equation yields a mean absolute relative error of just 11% for electron mobilities across benchmark semiconductors, including Si, GaAs, GaP, diamond, and SiC. The common practice of neglecting GW corrections to the electron–phonon interaction can lead to mobility errors exceeding 50%. The present findings highlight the importance of many-body self-energy effects in carrier transport simulations, and provides fundamental insights into how many-body electron--phonon interactions govern charge transport in crystalline solids.

en: Supporting data for "Many-body first principles calculations of carrier mobility with record accuracy using GW perturbation theory"

aibte

display_name: aibte

carrier-transport

display_name: carrier-transport

gw

display_name: gw

gwpt

display_name: gwpt

mobility

display_name: mobility

quantum-many-body

display_name: quantum-many-body

semiconductors

display_name: semiconductors


en: The ethanol steam reforming reaction, together with the adsorption and decomposition of ethanol was studied on CeO2 and gallium-doped ceria (CeGaOx) by a combined experimental and theoretical approach using infrared spectroscopy (IR), mass spectrometry (MS) and density functional theory (DFT) calculations. At 100 °C, different types of monodentate ethoxy species were identified as standing-up (SU) on Ce4+ and lying-down (LD) on Ce4+ and Ga3+, with the alkyl chain more perpendicular or parallel to the surface, respectively. It is suggested that the incorporation of Ga into the ceria lattice changes the decomposition pathway of LD species, which converts to acetate instead of ethylene, attributed to the increased lattice oxygen lability in the Ce―O―Ga interface upon doping and the propensity to form Ga―H surface species. Under ethanol steam reforming conditions, Ga doping of ceria-based materials has a drastic effect by improving the H2:CO2 ratio, changing the product distribution and reducing coke formation.

en: Controlled selectivity for ethanol steam reforming reaction over doped CeO2 surfaces: The role of gallium

bioethanol

display_name: bioethanol

coke-precursors

display_name: coke-precursors

deactivation

display_name: deactivation

gallia

display_name: gallia

hydrogen-production

display_name: hydrogen-production

prace

display_name: prace


en: Two-dimensional (2D) materials have emerged as promising candidates for next-generation electronic and optoelectronic applications. Yet, only a few dozens of 2D materials have been successfully synthesized or exfoliated. Here, we search for novel 2D materials that can be easily exfoliated from their parent compounds. Starting from 108423 unique, experimentally known three-dimensional compounds we identify a subset of 5619 that appear layered according to robust geometric and bonding criteria. High-throughput calculations using van-der-Waals density-functional theory, validated against experimental structural data and calculated random-phase-approximation binding energies, allow to identify 1825 compounds that are either easily or potentially exfoliable. In particular, the subset of 1036 easily exfoliable cases provides novel structural prototypes and simple ternary compounds as well as a large portfolio of materials to search from for optimal properties. For a subset of 258 compounds we explore vibrational, electronic, magnetic, and topological properties, identifying 56 ferromagnetic and antiferromagnetic systems, including half-metals and half-semiconductors. This archive entry contains the database of 2D materials (structural parameters, band structures, binding energies, phonons for the subset of the 258 easily exfoliable materials with less than 6 atoms, structures and binding energies for the remaining 1567 materials) together with the provenance of all data and calculations as stored by AiiDA.

en: Two-dimensional materials from high-throughput computational exfoliation of experimentally known compounds

database

display_name: database

dft

display_name: dft

electronic-properties

display_name: electronic-properties

high-throughput

display_name: high-throughput

magnetic-properties

display_name: magnetic-properties

marvel

display_name: marvel

monolayer

display_name: monolayer

phonons

display_name: phonons

two-dimensional

display_name: two-dimensional

vibrational-properties

display_name: vibrational-properties


en: The energy level alignment across solvated molecule/semiconductor interfaces is a crucial property for the correct functioning of dye-sensitized photo-electrodes, where, following the absorption of solar light, a cascade of interfacial hole/electron transfer processes has to efficiently take place. In light of the difficulty of performing X-ray photoelectron spectroscopy measurements at the molecule/solvent/metal-oxide interface, being able to accurately predict the level alignment by first-principles calculations on realistic structural models would represent an important step toward the optimization of the device. In this respect dye/NiO surfaces, employed in p-type dye-sensitized solar cells, are undoubtedly challenging for ab initio methods and, also for this reason, much less investigated than the n-type dye/TiO2 counterpart. Here we consider the C343-sensitized NiO surface in water and combine ab initio Molecular Dynamics (AIMD) simulations with GW (G0W0) calculations, performed along the MD trajectory, to reliably describe the structure and energetics of the interface when explicit solvation and finite temperature effects are accounted for. We show that the differential perturbative correction on the NiO and molecule states obtained at GW level is mandatory to recover the correct (physical) interfacial energetics, allowing hole transfer from the semiconductor valence band to the HOMO of the dye. Moreover, the calculated average driving force quantitatively agrees with the experimental estimate.

en: Structure and energetics of dye-sensitized NiO interfaces in water from ab-initio MD and large-scale GW calculations

ab-initio

display_name: ab-initio

energy-level-alignment

display_name: energy-level-alignment

gw

display_name: gw

molecular-dynamics-simulation

display_name: molecular-dynamics-simulation

nio

display_name: nio

p-type-dssc

display_name: p-type-dssc


en:
The high-throughput molecular exploration and screening of organic electronic materials often starts with either a 'top-down' mining of existing repositories, or the 'bottom-up' assembly of fragments based on predetermined rules and known synthetic templates. In both instances, the datasets used are often produced on a case-by-case basis, and require the high-quality computation of electronic properties and extensive user input: curation in the top-down approach, and the construction of a fragment library and introduction of rules for linking them in the bottom-up approach. Both approaches are time-consuming and require significant computational resources. Here, we generate a top-down set named FORMED consisting of 117K synthesized molecules containing their optimized structures, associated electronic and topological properties and chemical composition, and use these structures as a vast library of molecular building blocks for bottom-up fragment-based materials design. A tool is developed to automate the coupling of these building block units based on their available Csp2-H bonds, thus providing a fundamental link between the two philosophies of dataset construction. Statistical models are trained on this dataset and a subset of the resulting hybrid top-down/bottom-up compounds (selected dimers), which enable on-the-fly prediction of key ground state (frontier molecular orbital gaps) and excited state (S1 and T1 energies) properties from molecular geometries with high accuracy across all known p-block organic compound space.
With access to ab initio-quality optical properties in hand, it is possible to apply this bottom-up pipeline using existing compounds as molecular building blocks to any materials design campaign. To illustrate this, we construct and screen over a million molecular candidates (predicted dimers) for efficient intramolecular singlet fission, the leading candidates of which provide insight into the structural features that may promote this multiexciton-generating process.

materialscloud

en:
Materials Cloud is a platform built to enable the seamless sharing and dissemination of resources in computational materials science, offering educational, research, and archiving tools; simulation software and services; and curated and raw data. These underpin published results and empower data-based discovery, compliant with data management plans and the FAIR principles.

In the Materials Cloud you can browse, explore, download, or deposit raw and curated data (in the Discover, Explore, and Archive sections); you can access cloud or redeployable simulation services (from AiiDAlab turnkey simulations to the Quantum Mobile virtual machine, the AiiDA registry of plugins and workflows, and the OSSCAR notebooks, in the Work section), and you can use all our educational material, tutorials and lectures (in the Learn section).

en: Data-driven discovery of organic electronic materials enabled by hybrid top-down/bottom-up design

crystal-structures

display_name: crystal-structures

donor-acceptor-copolymers

display_name: donor-acceptor-copolymers

optical-properties

display_name: optical-properties

organic-molecules

display_name: organic-molecules

photophysical-properties

display_name: photophysical-properties


en: The chemical versatility of carbon imparts manifold properties to organic compounds, where magnetism remains one of the most desirable but elusive. Polycyclic aromatic hydrocarbons, also referred to as nanographenes, show a critical dependence of electronic structure on the topologies of the edges and the π-electron network, which makes them model systems with which to engineer unconventional properties including magnetism. In 1972, Erich Clar envisioned a bow-tie-shaped nanographene, C38H18, where topological frustration in the π-electron network renders it impossible to assign a classical Kekulé structure without leaving unpaired electrons, driving the system into a magnetically non-trivial ground state. In this record we include data needed to support our recent work where we demonstrate the experimental realization and in-depth characterization of this emblematic nanographene, known as Clar's goblet. Scanning tunnelling microscopy and spin excitation spectroscopy of individual molecules on a gold surface reveal a robust antiferromagnetic order with an exchange-coupling strength of 23 meV, exceeding the Landauer limit of minimum energy dissipation at room temperature. Through atomic manipulation, we realize switching of magnetic ground states in molecules with quenched spins. Our results provide direct evidence of carbon magnetism in a hitherto unrealized class of nanographenes, and prove a long-predicted paradigm where topological frustration entails unconventional magnetism, with implications for room-temperature carbon-based spintronics.

materialscloud

en: Materials Cloud

en: Topological frustration induces unconventional magnetism in a nanographene

clar-goblet

display_name: clar-goblet

erc

display_name: erc

kondo

display_name: kondo

nanographene

display_name: nanographene

snsf

display_name: snsf


en: This archive includes the raw data for atomistic simulations in the work as titled. Transition to a hydrogen-based economy requires a thorough understanding of hydrogen interaction with dislocations in metals, especially in body-centered cubic (BCC) steels. Past experimental and computational investigations regarding these interactions often demonstrate two opposing results: hydrogen-induced mobility or hydrogen-induced pinning of dislocations. Through in-situ scanning electron microscopy experiments enabled by a custom-built setup, we address here this discrepancy. Our experiments reveal hydrogen-induced dislocation motion in a BCC metal at room temperature. Interestingly however, we also observe that the same dislocations are later pinned as well, again induced by the steady hydrogen flux. Molecular dynamics simulations of the phenomena confirm the attraction of the dislocations towards the hydrogen flux, and the pinning that follows after, upon increased hydrogen trapping at the dislocation core. Future experimental or computational studies of hydrogen thus should take into account these different regimes in order to present a full picture of hydrogen defect interactions.

en: Hydrogen can both move or pin dislocations in Body-Centered Cubic metals

envi

en: Environment

body-centered-cubic-metal

display_name: body-centered-cubic-metal

dislocation-hydrogen-interactions

display_name: dislocation-hydrogen-interactions

hydrogen-embrittlement

display_name: hydrogen-embrittlement


a-unified-approach-to-enhanced-sampling

en: The sampling problem lies at the heart of atomistic simulations and over the years many different enhanced sampling methods have been suggested towards its solution. These methods are often grouped into two broad families. On the one hand methods such as umbrella sampling and metadynamics that build a bias potential based on few order parameters or collective variables. On the other hand tempering methods such as replica exchange that combine different thermodynamic ensembles in one single expanded ensemble. We adopt instead a unifying perspective, focusing on the target probability distribution sampled by the different methods. This allows us to introduce a new method that can sample any of the ensembles normally sampled via replica exchange, but does so in a collective-variables-based scheme. This method is an extension of the recently developed on-the-fly probability enhanced sampling method [Invernizzi and Parrinello, J. Phys. Chem. Lett. 11.7 (2020)] that has been previously used for metadynamics-like sampling. The method is thus very general and can be used to achieve different types of enhanced sampling. It is also reliable and simple to use, since it presents only few and robust external parameters and has a straightforward reweighting scheme. Furthermore, it can be used with any number of parallel replicas. We show the versatility of our approach with applications to multicanonical and multithermal-multibaric simulations, thermodynamic integration, umbrella sampling, and combinations thereof.

en: A unified approach to enhanced sampling

title_for_slug: a-unified-approach-to-enhanced-sampling

expanded-ensembles

display_name: expanded-ensembles

free-energy

display_name: free-energy

importance-sampling

display_name: importance-sampling

metadynamics

display_name: metadynamics

parallel-tempering

display_name: parallel-tempering

replica-exchange

display_name: replica-exchange

thermodynamic-integration

display_name: thermodynamic-integration

umbrella-sampling

display_name: umbrella-sampling


en: The data contained in this record, raw data of images and input files to reproduce calculations, support our recent report for the on-surface synthesis and characterization of two ultralow-gap open-shell molecules, namely peri-tetracene, a benzenoid graphene fragment with zigzag edge topology, and dibenzo[a,m]dicyclohepta[bcde,nopq]rubicene, a nonbenzenoid nonalternant structural isomer of peri-tetracene with two embedded azulene units. Our results provide an understanding of the ramifications of altered bond topologies at the single-molecule scale, with the prospect of designing functionalities in carbon-based nanostructures via engineering of bond topology

en: Tailoring Bond Topologies in Open-Shell Graphene Nanostructures

atom-manipulation

display_name: atom-manipulation

density-functional-theory

display_name: density-functional-theory

scanning-tunneling-microscopy

display_name: scanning-tunneling-microscopy

scanning-tunneling-spectroscopy

display_name: scanning-tunneling-spectroscopy


en: Materials exhibiting coexisting and coupled ferroelectric and magnetic orders are rare. Here we show, using density functional theory calculations, that introducing FeLa antisite defects into pristine, non-ferroelectric, G-type antiferromagnetic (AFM) LaFeO3 renders the material simultaneously ferroelectric and a defect-induced local ferrimagnetic phase. We assess the thermodynamic stability of FeLa antisites and identify synthesis conditions under which they are likely to form. Nudged elastic band calculations indicate an accessible barrier for ferroelectric polarization switching. Interestingly, we observe an inverse magnetoelectric coupling in which the ferroelectric polarization controls the magnetic order. We further propose two defect-mediated magnetization-control mechanisms enabled by ferroelectric switching in LaFeO3, both involving a 180° reversal: (i) switching the FeLa antisite moments while the pristine G-type AFM order remains unchanged, and (ii) of the pristine G-type AFM order while the FeLa antisite moments are pinned by a static magnetic field. In both cases, exchange coupling between the antisite and pristine Fe sublattices enables magnetization switching, highlighting a defect-engineering route to electrically controlled magnetic states for data storage.

en: Multiferroicity and 180° magnetization switching in LaFeO3 via antisite defects

antisite-defect

display_name: antisite-defect

multiferroic

display_name: multiferroic


en: Machine learned force fields typically require manual construction of training sets consisting of thousands of first principles calculations, which can result in low training efficiency and unpredictable errors when applied to structures not represented in the training set of the model. This severely limits the practical application of these models in systems with dynamics governed by important rare events, such as chemical reactions and diffusion. We present an adaptive Bayesian inference method for automating the training of interpretable, low-dimensional, and multi-element interatomic force fields using structures drawn on the fly from molecular dynamics simulations. Within an active learning framework, the internal uncertainty of a Gaussian process regression model is used to decide whether to accept the model prediction or to perform a first principles calculation to augment the training set of the model. The method is applied to a range of single- and multi-element systems and shown to achieve a favorable balance of accuracy and computational efficiency, while requiring a minimal amount of ab initio training data. We provide a fully open-source implementation of our method, as well as a procedure to map trained models to computationally efficient tabulated force fields.

en: On-the-Fly Active Learning of Interpretable Bayesian Force Fields for Atomistic Rare Events

bayesian-inference

display_name: bayesian-inference

machine-learning

display_name: machine-learning

molecular-dynamics

display_name: molecular-dynamics


en: High nickel content in LiNixCoyMnzO2 (NCM, x ≥ 0.8, x + y + z = 1) layered cathode material allows high energy density in lithium-ion batteries (LIBs). However, Ni-rich NCM cathodes suffer from performance degradation, mechanical and structural instability upon prolonged cell cycling. Although the use of single-crystal Ni-rich NCM can mitigate these drawbacks, the ion-diffusion in large single-crystal particles hamper its rate capability. Herein, we report a strategy to construct an in situ Li1.4Y0.4Ti1.6(PO4)3 (LYTP) ion/electron conductive network which interconnects single-crystal LiNi0.88Co0.09Mn0.03O2 (SC-NCM88) particles. The LYTP network facilitates the lithium-ion transport between SC-NCM88 particles, mitigates mechanical instability and prevents detrimental crystalline phase transformation. When used in combination with a Li metal anode, the LYTP-containing SC-NCM88-based cathode enables a coin cell capacity of 130 mAh g-1 after 500 cycles at 5 C rate in the 2.75-4.4 V range at 25 °C. Tests in Li-ion pouch cell configuration (i.e., graphite used as negative electrode active material) demonstrate capacity retention of 85% after 1000 cycles at 0.5 C in the 2.75-4.4 V range at 25 °C for the LYTP-containing SC-NCM88-based positive electrode.

en: In situ inorganic conductive network enables superior high-voltage operation of single-crystal Ni-rich cathode

conductive-network

display_name: conductive-network

crystalline-phase-transformation

display_name: crystalline-phase-transformation

experimental

display_name: experimental

in-situ

display_name: in-situ

lithium-ion-transport

display_name: lithium-ion-transport

single-crystal-ni-rich-ncm

display_name: single-crystal-ni-rich-ncm


en:
GapExtractor v2.0© is a free software designed to determine the band gap energy of non-translucent samples by analyzing their diffuse reflectance spectra. The analysis is based on the Tauc-method and the Kubelka and Munk formalism. The algorithm is coded in the Python 3.11.5 programming language. By coping, running or distributing this software, you indicate your acceptance of the license terms.

Steps to reproduce: Unzip GapExtractor v2.0 file; run gapextractor_v2.0.py; check the required phyton libraries; install if necessary.

materialscloud

en:
Materials Cloud is a platform built to enable the seamless sharing and dissemination of resources in computational materials science, offering educational, research, and archiving tools; simulation software and services; and curated and raw data. These underpin published results and empower data-based discovery, compliant with data management plans and the FAIR principles.

In the Materials Cloud you can browse, explore, download, or deposit raw and curated data (in the Discover, Explore, and Archive sections); you can access cloud or redeployable simulation services (from AiiDAlab turnkey simulations to the Quantum Mobile virtual machine, the AiiDA registry of plugins and workflows, and the OSSCAR notebooks, in the Work section), and you can use all our educational material, tutorials and lectures (in the Learn section).

en: GapExtractor v2.0

band-gap-energy

display_name: band-gap-energy

diffuse-reflectance-spectroscopy

display_name: diffuse-reflectance-spectroscopy

polyphasic-samples

display_name: polyphasic-samples

tauc-method

display_name: tauc-method


en: We present a first-principles investigation of the structural, electronic, and magnetic properties of the pristine and Fe-doped α-MnO₂ using density-functional theory with extended Hubbard functionals. The onsite U and intersite V Hubbard parameters are determined from first principles and self-consistently using density-functional perturbation theory in the basis of Löwdin-orthogonalized atomic orbitals. First, we analyze the pristine α-MnO₂ and show that the C2-AFM spin configuration is the most energetically favorable, in agreement with the experimentally observed antiferromagnetic state. For the Fe-doped α-MnO₂ two types of doping are considered: Fe insertion in the 2 × 2 tunnels and partial substitution of Fe for Mn. The calculated formation energies show that the experimentally observed Fe insertion is energetically favorable only when intersite Hubbard interactions are taken into account. Moreover, we find that both types of doping preserve the C2-AFM spin configuration of the host lattice only when Hubbard V corrections are included. The oxidation state of Fe is found to be +2 and +4 in the case of the interstitial and substitutional doping, respectively, while the oxidation state of Mn is +4 in both cases. This work opens a door for accurate studies of other Mn oxides and complex transition-metal compounds when the localization of 3d electrons occurs in the presence of strong covalent interactions with ligands.

materialscloud

en: Materials Cloud

en: Pivotal role of intersite Hubbard interactions in Fe-doped α-MnO₂

band-gap

display_name: band-gap

bond-angles

display_name: bond-angles

bond-length

display_name: bond-length

crystal-structure

display_name: crystal-structure

density-functional-theory

display_name: density-functional-theory

density-of-states

display_name: density-of-states

dftu

display_name: dftu

dftuv

display_name: dftuv

hubbard-parameters

display_name: hubbard-parameters

hubbard-projectors

display_name: hubbard-projectors

interstitial-doping

display_name: interstitial-doping

magnetic-moment

display_name: magnetic-moment

orthogonalized-atomic-orbitals

display_name: orthogonalized-atomic-orbitals

oxidation-state

display_name: oxidation-state

self-interactions

display_name: self-interactions

spin-configuration

display_name: spin-configuration

substitutional-doping

display_name: substitutional-doping


en: Maximally-localized Wannier functions are quantum wavefunctions resembling atomic orbitals that are used to describe electrons in condensed matter. Since their introduction in 1997, these functions have become ubiquitous in ab initio materials simulations, including applications in linear-scaling methods, strongly correlated electron systems, quantum transport, electron-phonon interactions, and topological materials. Despite their widespread adoption in a vast software ecosystem, Wannier functions have not yet attained their fullest potential in the presence of entangled bands, as their optimization remains challenging and labor-intensive. Here, we introduce a universal meta-optimization method that leverages workflow abstraction and machine-learning techniques like differential evolution and Bayesian optimization to generate globally optimized Wannier functions without human intervention. We demonstrate this approach through three applications: (i) autonomous interpolation of entangled band structures with millielectronvolt accuracy starting from coarse Brillouin zone grids, (ii) thousand-fold acceleration of fully ab initio Boltzmann transport calculations via the use of minimal coarse Brillouin zone grids, and (iii) ultrafast high-throughput calculations of high-precision Wannier functions for large materials libraries. This work brings calculations that previously required supercomputers within the reach of personal computers.The data generated in this work and reported in the manuscript is attached in the Data.tar.gz with full description in the Readme.md.

en: Meta-optimization of maximally-localized Wannier functions

envi

en: Environment

machine-learning

display_name: machine-learning

meta-optimization

display_name: meta-optimization

wannier-functions

display_name: wannier-functions


en: Materials composed of elements from the third and fifth columns of the periodic table display a very rich behavior, with the phase diagram usually containing a metallic liquid phase and a polar semiconducting solid. As a consequence, it is very hard to achieve transferable empirical models of interactions between the atoms that can reliably predict their behavior across the temperature and composition range that is relevant to the study of the synthesis and properties of III/V nanostructures and devices. We present a machine-learning potential trained on density functional theory reference data that provides a general-purpose model for the Ga/As system. We provide a series of stringent tests that showcase the accuracy of the potential, and its applicability across the whole binary phase space, computing with ab initio accuracy a large number of finite-temperature properties as well as the location of phase boundaries. We also show how a committee model can be used to reliably determine the uncertainty induced by the limitations of the machine-learning model on its predictions, to identify regions of phase space that are predicted with insufficient accuracy, and to iteratively refine the training set to achieve consistent, reliable modeling.

en: Modeling the Ga/As binary system across temperatures and compositions from first principles

gaas

display_name: gaas

gallium-arsenide

display_name: gallium-arsenide

marvel

display_name: marvel

molecular-dynamics-simulation

display_name: molecular-dynamics-simulation

neural-network-potential

display_name: neural-network-potential

snsf

display_name: snsf


en: This dataset contains experimental and theoretical results from the study of heat transport in suspended single-crystal diamond cantilevers with sub-micrometer widths. "Imaging heat transport in suspended diamond nanostructures with integrated spindefect thermometers", Physical Review Letters, 2026Temperature profiles are measured using embedded nitrogen-vacancy (NV) spin defects acting as in-situ thermometers, enabling spatially resolved thermal mapping under laser heating. The data include measured temperature gradients, extracted effective thermal conductivities as a function of cantilever width, and first-principles simulations based on the linearized phonon Boltzmann transport equation and viscous heat equations. The combined experimental and computational results demonstrate non-diffusive, sub-ballistic heat transport arising from the interplay of intrinsic phonon scattering and boundary effects.

en: Imaging heat transport in suspended diamond nanostructures with integrated spin defect thermometers

diamond-nanostructures

display_name: diamond-nanostructures

heat-transport

display_name: heat-transport

nanoscale-thermometry

display_name: nanoscale-thermometry

nitrogen-vacancy-centers

display_name: nitrogen-vacancy-centers

non-diffusive-thermal-conduction

display_name: non-diffusive-thermal-conduction

phonon-boltzmann-transport-equation

display_name: phonon-boltzmann-transport-equation

viscous-heat-equations

display_name: viscous-heat-equations


en: CeO₂ greatly enhances the electrocatalytic oxygen evolution reaction (OER) activity of CoOx, though the enhancement mechanism beyond this synergy is yet to be understood. Here, operando hard X-ray adsorption spectroscopy (hXAS) is applied to monitor the Co K edge and Ce L₃ edge in CoOx/CeO₂ to shed light on the evolution of the Co and Ce oxidation states during OER. In addition, ex situ soft XAS (sXAS) characterizations provide information on the irreversible surface-specific transformations of the Co L₃ edge as well as of the O K edge. Combining the operando and ex situ spectroscopic characterizations with comprehensive electrochemical analyses, we confirm CeO₂ is not the active center for the OER. However, coupling CeO₂ with CoOx introduces significant modifications in the Co and O species at the CoOx surface and alters the flat band potential (Efb), leading to more favorable Co oxidation state transformations during OER and possibly modifying the preferential reaction pathway. This work establishes the connections between electronic structures, Co oxidation state and the OER reaction mechanism for CoOx/CeO₂ composites electrodes.

en: Operando tracking the interactions between CoOx and CeO₂ during oxygen evolution reaction

co-oxidation

display_name: co-oxidation

co-redox

display_name: co-redox

operando-xas

display_name: operando-xas

oxygen-evolution-reaction

display_name: oxygen-evolution-reaction


en:
We present JuDiT (Jülich Database of impurities embedded into a Topological insulator) which collects first principles calculation of impurities embedded into the prototypical topological insulator Sb2Te3. The density functional calculations of this work were performed with the JuKKR package [1], which allows to embed translational invariance breaking impurities into a crystalline host system based on the Korringa-Kohn-Rostoker Green function method, and were performed with the AiiDA-KKR package [2]. Our database collects, among others, predicted impurity properties like charge doping introduced by the defects, magnetic moments of the impurities and impurity density of states calculations. We include calculations for the intrinsic Fermi level in the middle of the bulk band gap as well as for shifted Fermi level into valence and conduction band which models different experimental conditions. The impurities were embedded into different layers throughout a 6 quintuple layer thick film which allows to investigate the effect of the topological surface state (localized at the surface) on impurity properties. The JuDiT database allows to uncover chemical trends in impurity properties and can help optimizing the next generation of topological materials.

[1] https://jukkr.fz-juelich.de and www.judft.de
[2] https://github.com/JuDFTteam/aiida-kkr

en: The JuDiT database of impurities embedded into a topological insulator

aiida-kkr

display_name: aiida-kkr

density-functional-theory

display_name: density-functional-theory

impurities

display_name: impurities

impurity

display_name: impurity

impurity-density-of-states

display_name: impurity-density-of-states

impurity-properties

display_name: impurity-properties

judit

display_name: judit

kkr

display_name: kkr

max

display_name: max

quantum-anomalous-hall-insulator

display_name: quantum-anomalous-hall-insulator

topological-insulator

display_name: topological-insulator

viti

display_name: viti


en: Doped alkaline-earth chalcogenides are interesting photoluminescent materials for opto-electronic applications. It is crucial to have an extended knowledge about the undoped bulk CaS and CaO since all the excited state properties of the doped material heavily depend on it. In this work we investigate the structural parameters, electronic band structures, macroscopic dielectric constants and absorption spectra for CaS and CaO compounds. Their quasi-particle band structure in the GW approximation yields a value of 4.28 eV and 6.02 eV for the indirect theoretical particle gap of CaS and CaO, respectively. The imaginary part of the macroscopic dielectric function e(omega) is computed including excitonic effects through the Bethe–Salpeter equation. The onset of absorption is within 0.1 eV of the experimental one and the calculated spectrum shows a qualitative agreement with experiment. Our computed exciton binding energies are 0.27 eV and 0.40 eV for CaS and CaO, respectively.

en: First-principles and experimental characterization of the electronic and optical properties of CaS and CaO

ab-initio

display_name: ab-initio

absorption-spectrum

display_name: absorption-spectrum

bethesalpeter

display_name: bethesalpeter

calcium-chalcogenides

display_name: calcium-chalcogenides

cao

display_name: cao

cas

display_name: cas

exciton

display_name: exciton

first-principles

display_name: first-principles

macroscopic-dielectric-function

display_name: macroscopic-dielectric-function


en: Designing an appropriate set of collective variables is crucial to the success of several enhanced sampling methods. Here we focus on how to obtain such variables from information limited to the metastable states. We characterize these states by a large set of descriptors and employ neural networks to compress this information in a lower-dimensional space, using Fisher's linear discriminant as an objective function to maximize the discriminative power of the network. We test this method on alanine dipeptide, using the non-linearly separable dataset composed by atomic distances. We then study an intermolecular aldol reaction characterized by a concerted mechanism. The resulting variables are able to promote sampling by drawing non-linear paths in the physical space connecting the fluctuations between metastable basins. Lastly, we interpret the behavior of the neural network by studying its relation to the physical variables. Through the identification of its most relevant features, we are able to gain chemical insight into the process.

materialscloud

en:
Materials Cloud is a platform built to enable the seamless sharing and dissemination of resources in computational materials science, offering educational, research, and archiving tools; simulation software and services; and curated and raw data. These underpin published results and empower data-based discovery, compliant with data management plans and the FAIR principles.

In the Materials Cloud you can browse, explore, download, or deposit raw and curated data (in the Discover, Explore, and Archive sections); you can access cloud or redeployable simulation services (from AiiDAlab turnkey simulations to the Quantum Mobile virtual machine, the AiiDA registry of plugins and workflows, and the OSSCAR notebooks, in the Work section), and you can use all our educational material, tutorials and lectures (in the Learn section).

en: Data-Driven Collective Variables for Enhanced Sampling

collective-variables

display_name: collective-variables

enhanced-sampling

display_name: enhanced-sampling

erc

display_name: erc

metadynamics

display_name: metadynamics

neural-networks

display_name: neural-networks

opes

display_name: opes

plumed

display_name: plumed


en: In the past decades many density-functional theory methods and codes adopting periodic boundary conditions have been developed and are now extensively used in condensed matter physics and materials science research. Only in 2016, however, their precision (i.e., to which extent properties computed with different codes agree among each other) was systematically assessed on elemental crystals: a first crucial step to evaluate the reliability of such computations. We discuss here general recommendations for verification studies aiming at further testing precision and transferability of density-functional-theory computational approaches and codes. We illustrate such recommendations using a greatly expanded protocol covering the whole periodic table from Z=1 to 96 and characterizing 10 prototypical cubic compounds for each element: 4 unaries and 6 oxides, spanning a wide range of coordination numbers and oxidation states. The primary outcome is a reference dataset of 960 equations of state cross-checked between two all-electron codes, then used to verify and improve nine pseudopotential-based approaches. Such effort is facilitated by deploying AiiDA common workflows that perform automatic input parameter selection, provide identical input/output interfaces across codes, and ensure full reproducibility. Finally, we discuss the extent to which the current results for total energies can be reused for different goals (e.g., obtaining formation energies). This data entry contains all data to reproduce the results, as well as the resulting curated all-electron dataset and the scripts to generate the figures of the paper.

materialscloud

en: Materials Cloud

en: How to verify the precision of density-functional-theory implementations via reproducible and universal workflows

automation

display_name: automation

dft

display_name: dft

equation-of-state

display_name: equation-of-state

pseudopotentials

display_name: pseudopotentials

verification

display_name: verification


en:
Trigonal tellurium, a small-gap semiconductor with pronounced magneto-electric and magneto-optical responses, is among the simplest realizations of a chiral crystal. We have studied by spin- and angle-resolved photoelectron spectroscopy its unconventional electronic structure and unique spin texture. We identify Kramers–Weyl, composite, and accordionlike Weyl fermions, so far only predicted by theory, and show that the spin polarization is parallel to the wave vector along the lines in k space connecting high-symmetry points. Our results clarify the symmetries that enforce such spin texture in a chiral crystal, thus bringing new insight in the formation of a spin vectorial field more complex than the previously proposed hedgehog configuration. Our findings thus pave the way to a classification scheme for these exotic spin textures and their search in chiral crystals.

This records refers to the experimental data shown in the referenced article, saved as txt files along with a metadata descriptor file.

en: Radial spin texture of the Weyl fermions in chiral tellurium

envi

en: Environment

chirality

display_name: chirality

experimental

display_name: experimental

snsf

display_name: snsf

spinarpes

display_name: spinarpes

topological-materials

display_name: topological-materials


en: Nanoscale twin boundaries (TBs) effectively restrict the free motion of dislocations by intersecting with other TBs to realize high strength. However, the dislocations parallel to the TBs can glide along the TBs, resulting in detwinning for low strength. Herein, we present a triple-interlocked-nanotwinned (TIT) strategy for overcoming these inherent deficiencies. An Mg-9Li alloy was used as a proof-of-concept. The treated alloy had a large volume fraction of TIT interfaces (65.7%). It not only had a high yield strength of 508.6 MPa (approximately eleven times higher than that of the TIT-free sample) but also offered unprecedented ageing resistance, with a reduction in hardness of 6% after 730 days. The martensite-like phase transformation process concurrently triggers multiple-variant twins to form TIT structures. These TIT nets can effectively prohibit dislocation motion, reduce strengthening anisotropy, and disperse localized stress during the deformation process. This strategy of phase transformation twinning open a gate to fabricate other stronger metallic or ceramic nanotwinned bulk materials.

en: Triple-interlocked-nanotwinned bulk magnesium alloys with exceptional strength and ageing resistance

ageing-resistance

display_name: ageing-resistance

magnesium-alloys

display_name: magnesium-alloys

strength

display_name: strength

triple-interlocked-nanotwin

display_name: triple-interlocked-nanotwin


lotsendienst-stadt-zug

name: Stadt Zug, Abteilung Städtebau & Planung

de:
Standorte des Lotsendienstes im Rahmen der Schulwegsicherheit in der Stadt Zug

Darstellungsart: Vektor

Koordinatenreferenzsystem: CH1903+ / LV95 (EPSG:2056)

Format: WMS, WFS, GeoJSON, Geopackage

Sprache: Deutsch

Aktualisierungsrhythmus: wöchentlich

Eigenschaften: Standorte

de: lotsendienst schulwegsicherheit

stadt-zug

de:
Hier veröffentlicht das Team von Open Data Zug von der kantonalen Fachstelle für Daten und Statistik schrittweise offene Behördendaten der Zuger Verwaltung.

Weitere Informationen unter https://zg.ch/opendata

de: Stadt Zug

political_level: commune

de: Geozug Ingenieure AG

de: Lotsendienst Stadt Zug

title_for_slug: lotsendienst-stadt-zug

value: Stadt Zug - geocat harvester

soci

de: Bevölkerung und Gesellschaft

en: Population and society

fr: Population et société

it: Popolazione e società

gove

de: Regierung und öffentlicher Sektor

en: Government and public sector

fr: Gouvernement et secteur public

it: Governo e settore pubblico

tran

de: Verkehr

en: Transport

fr: Transports

it: Trasporti

de: WMS Dienst des Lotsendienstes der Stadt Zug

de: WMS Lotsendienst Stadt Zug

format: WMS

de: WFS Dienst des Lotsendienstes der Stadt Zug

de: WFS Lotsendienst Stadt Zug

format: WFS

de: Geopackage des Lotsendienstes der Stadt Zug

de: Geopackage Lotsendienst Stadt Zug

format: GPKG

de: GeoJSON des Lotsendienstes der Stadt Zug

de: GeoJSON Lotsendienst Stadt Zug

format: GeoJSON

media_type: application/geo+json

lotsendienst

display_name: lotsendienst

schulwegsicherheit

display_name: schulwegsicherheit


betreuungsstandorte-stadt-zug

de:
Betreuungsstandorte im Rahmen der Schulwegsicherheit in der Stadt Zug

Darstellungsart: Vektor

Koordinatenreferenzsystem: CH1903+ / LV95 (EPSG:2056)

Format: WMS, WFS, GeoJSON, Geopackage

Sprache: Deutsch

Aktualisierungsrhythmus: wöchentlich

Eigenschaften: Name, Standort

de: schulwegsicherheit betreuungsstandort

de: Betreuungsstandorte Stadt Zug

title_for_slug: betreuungsstandorte-stadt-zug

envi

de: Umwelt

de: WMS Dienst der Schulwegsicherheit - Betreuungsstandorte der Stadt Zug

de: WMS Betreuungsstandort Stadt Zug

de: WFS Dienst der Schulwegsicherheit - Betreuungsstandorte der Stadt Zug

de: WFS Betreuungsstandort Stadt Zug

de: Geopackage der Betreuungsstandorte der Stadt Zug

de: Geopackage Betreuungsstandort Stadt Zug

de: GeoJSON der Betreuungsstandorte der Stadt Zug

de: GeoJSON Betreuungsstandort Stadt Zug

betreuungsstandort

display_name: betreuungsstandort


schulhauser-stadt-zug

de:
Standorte der Schulhäuser im Rahmen der Schulwegsicherheit in der Stadt Zug

Darstellungsart: Vektor

Koordinatenreferenzsystem: CH1903+ / LV95 (EPSG:2056)

Format: WMS, WFS, GeoJSON, Geopackage

Sprache: Deutsch

Aktualisierungsrhythmus: wöchentlich

Eigenschaften: Standort, Name, Kategorie, Bemerkung

de: kindergarten gymnasium schulwegsicherheit integrationsklasse oberstufe primarschule musikschule

stadt-zug

de:
Hier veröffentlicht das Team von Open Data Zug von der kantonalen Fachstelle für Daten und Statistik schrittweise offene Behördendaten der Zuger Verwaltung.

Weitere Informationen unter https://zg.ch/opendata

de: Stadt Zug

de: Geozug Ingenieure AG

de: Schulhäuser Stadt Zug

title_for_slug: schulhauser-stadt-zug

soci

de: Bevölkerung und Gesellschaft

gove

de: Regierung und öffentlicher Sektor

tran

de: Verkehr

de: WFS Dienst der Schulhäuser der Stadt Zug

de: WFS Schulhäuser Stadt Zug

de: WMS Dienst der Schulhäuser der Stadt Zug

de: WMS Schulhäuser Stadt Zug

de: Geopackage der Schulhäuser der Stadt Zug

de: Geopackage Schulhäuser Stadt Zug

de: GeoJSON der Schulhäuser der Stadt Zug

de: GeoJSON Schulhäuser Stadt Zug

gymnasium

display_name: gymnasium

integrationsklasse

display_name: integrationsklasse

kindergarten

display_name: kindergarten

musikschule

display_name: musikschule

oberstufe

display_name: oberstufe

primarschule

display_name: primarschule


stadtmobiliar-stadt-zug

de:
Inventar der mobilen Infrastruktur in der Stadt Zug (Abfallbehälter, Grillstellen, Sitzbank, Tischgruppen, Spielplätze, Wasserzapfstellen, Brunnen, WC-Anlagen)

Darstellungsart: Vektor

Koordinatenreferenzsystem: CH1903+ / LV95 (EPSG:2056)

Format: WMS, WFS, GeoJSON, Geopackage

Sprache: Deutsch

Aktualisierungsrhythmus: wöchentlich

Eigenschaften: Standort, Inventarnummer, Kategorie

de: abfall stadtmobiliar wc-anlagen grillstelle spielplatz sitzbank brunnen wasserzapfstelle tische

de: Stadtmobiliar Stadt Zug

title_for_slug: stadtmobiliar-stadt-zug

regi

de: Regionen und Städte

en: Regions and cities

fr: Régions et villes

it: Regioni e città

de: WFS Dienst des Stadtmobiliars der Stadt Zug

de: WFS Stadtmobiliar Stadt Zug

de: WMS Dienst des Stadtmobiliars der Stadt Zug

de: WMS Stadtmobiliar Stadt Zug

de: Geopackage des Stadtmobiliars der Stadt Zug

de: Geopackage Stadtmobiliar Stadt Zug

de: GeoJSON des Stadtmobiliars der Stadt Zug

de: GeoJSON Stadtmobiliar Stadt Zug

abfall

display_name: abfall

brunnen

display_name: brunnen

grillstelle

display_name: grillstelle

sitzbank

display_name: sitzbank

spielplatz

display_name: spielplatz

stadtmobiliar

display_name: stadtmobiliar

tische

display_name: tische

wasserzapfstelle

display_name: wasserzapfstelle

wc-anlagen

display_name: wc-anlagen


parkplatzkataster-stadt-zug

name: Stadt Zug, Abteilung Sicherheit und Verkehr

de:
Parkplatzkataster der Stadt Zug

Darstellungsart: Vektor

Koordinatenreferenzsystem: CH1903+ / LV95 (EPSG:2056)

Format: WMS, WFS, GeoJSON, Geopackage

Sprache: Deutsch

Aktualisierungsrhythmus: wöchentlich

Eigenschaften: Parkplatz Typ, Bezeichnung, lokale Bewirtschaftungsart, Gültige Parkplatz Nr. Bewirtschaftete Parktage, Bewirtschaftete Parkzeiten, Maximale Parkzeit [h], Parkgebühr pro Stunde [CHF], Parkgebühr pro Tag [CHF], Bezahlung bar, Bezahlung digital, Bezahlung per App

de: parkplatzkataster parkplatz

stadt-zug

de:
Hier veröffentlicht das Team von Open Data Zug von der kantonalen Fachstelle für Daten und Statistik schrittweise offene Behördendaten der Zuger Verwaltung.

Weitere Informationen unter https://zg.ch/opendata

de: Stadt Zug

de: Geozug Ingenieure AG

de: Parkplatzkataster Stadt Zug

title_for_slug: parkplatzkataster-stadt-zug

tran

de: Verkehr

de: WMS Dienst des Parkplatzkatasters der Stadt Zug

de: WMS Parkplatzkataster Stadt Zug

de: Geopackage des Parkplatzkatasters der Stadt Zug

de: Geopackage Parkplatzkataster Stadt Zug

de: GeoJSON des Parkplatzkatasters der Stadt Zug

de: GeoJSON Parkplatzkataster Stadt Zug

de: WFS Dienst des Parkplatzkatasters der Stadt Zug

de: WFS Parkplatzkataster Stadt Zug

parkplatz

display_name: parkplatz

parkplatzkataster

display_name: parkplatzkataster


de: Der Datensatz enthält den Bestand der im Kanton Thurgau registrierten Wasserfahrzeuge mit Angaben zu Standort, Schiffsart, besonderer Verwendung sowie zu technischen Merkmalen wie Abmessungen, Segelfläche, Antrieb, Motorisierung, Leistung, Treibstoff und Abgasnorm. Zusätzlich ist ein Stichtag ausgewiesen.Datenquelle: Kantonspolizei Kanton Thurgau

de: wasserfahrzeuge bestand standort schiffsart verwendung antrieb motorleistung treibstoff abgasnorm

kanton-thurgau

de: Der Kanton Thurgau veröffentlicht hier schrittweise OGD-Datensätze der kantonalen Verwaltung.

de: Kanton Thurgau

en: Canton of Thurgau

fr: Canton de Thurgovie

it: Cantone di Turgovia

political_level: canton

de: kanton-thurgau

value: TG-Kt DCAT Harvester

de: Bestand der bei der Schifffahrtskontrolle des Kantons Thurgau immatrikulierten Wasserfahrzeuge 2023 (csv)

de: csv

format: CSV

media_type: text/csv

de: Bestand der bei der Schifffahrtskontrolle des Kantons Thurgau immatrikulierten Wasserfahrzeuge 2023 (json)

de: json

format: JSON

media_type: application/json

de: Bestand der bei der Schifffahrtskontrolle des Kantons Thurgau immatrikulierten Wasserfahrzeuge 2023 (jsonl)

de: jsonl

de: Bestand der bei der Schifffahrtskontrolle des Kantons Thurgau immatrikulierten Wasserfahrzeuge 2023 (parquet)

de: parquet

format: PARQUET

de: Bestand der bei der Schifffahrtskontrolle des Kantons Thurgau immatrikulierten Wasserfahrzeuge 2023 (rdfxml)

de: rdfxml

format: RDF XML

media_type: application/rdf+xml

de: Bestand der bei der Schifffahrtskontrolle des Kantons Thurgau immatrikulierten Wasserfahrzeuge 2023 (jsonld)

de: jsonld

format: JSON-LD

de: Bestand der bei der Schifffahrtskontrolle des Kantons Thurgau immatrikulierten Wasserfahrzeuge 2023 (turtle)

de: turtle

format: RDF Turtle

media_type: text/turtle

de: Bestand der bei der Schifffahrtskontrolle des Kantons Thurgau immatrikulierten Wasserfahrzeuge 2023 (n3)

de: Bestand der bei der Schifffahrtskontrolle des Kantons Thurgau immatrikulierten Wasserfahrzeuge 2023 (xls)

de: xls

format: XLS

abgasnorm

display_name: abgasnorm

antrieb

display_name: antrieb

bestand

display_name: bestand

motorleistung

display_name: motorleistung

schiffsart

display_name: schiffsart

standort

display_name: standort

treibstoff

display_name: treibstoff

verwendung

display_name: verwendung

wasserfahrzeuge

display_name: wasserfahrzeuge


de:
Die hier veröffentlichten Datensätze für die Messstationen Weinfelden und Konstanz stammen aus dem automatischen Messnetz von Ostluft, das kontinuierlich verschiedene Luftschadstoffe (z.B. NO₂, PM₁₀, O₃) und teilweise meteorologische Parameter (z.B. Temperatur, Luftdruck, Wind) erfasst.
Jeder Datensatz enthält zeitlich aufgelöste Einzelmesswerte im Halbstunden-, Stun-den- oder Tagesintervall, je nach Version. Die Daten geben an: Start- und Endzeit der Messung, die bezeichnende Messstelle, den Messwert, sowie den zugehöri-gen Indikator (z.B. „Luftdruck“, „NO₂“) und eine eindeutige Stations-ID (Messstation-ID).
Die Daten werden direkt aus dem standardisierten Ostluft Messnetz übernommen. Die Qualitätssicherung erfolgt gemäß den Richtlinien der Schweizer Luftreinhaltever-ordnung (LRV). Es handelt sich bei den exportierten Daten um vorläufige Werte, die erst mit der Veröffentlichung des Jahresberichts definitiv bestätigt werden. In der Regel ist die vollständige Datenbereinigung Ende April des Folgejahres abgeschlossen.
Gemäss Ostluft Messkonzept wird die Messstation beim Berufsbildungszentrum in Weinfelden alle zwei Jahre (gerade Jahre; Wechselstandort), die Messstation Konstanz Wallgutstrasse alljährlich betrieben.
Die Daten können außerdem über [ostluft.ch/messwerte/datenabfrage](https://www.ostluft.ch/messwerte/datenabfrage) individuell gefiltert und als CSV-Datei heruntergeladen werden.
Weitere Informationen zu den gemessenen Schadstoffen und Indikatoren finden Sie [hier](https://www.ostluft.ch/grundlagen).
Bei Fragen wenden Sie sich an die Ostluft Datenzentrale: [datenzentrale@ostluft.ch](mailto:datenezentrale@ostluft.ch)

de: luftschadstoff luft imissionen stickstoff feinstaub luftdruck temperatur luftfeuchte ostluft ozon wind luftqualitat

kanton-thurgau

de: Der Kanton Thurgau veröffentlicht hier schrittweise OGD-Datensätze der kantonalen Verwaltung.

de: Kanton Thurgau

de: kanton-thurgau

envi

de: Umwelt

de: Luftqualitätsmessungen Ostluft Thurgau – Jahresmittelwerte (csv)

de: Luftqualitätsmessungen Ostluft Thurgau – Jahresmittelwerte (json)

de: Luftqualitätsmessungen Ostluft Thurgau – Jahresmittelwerte (jsonl)

de: Luftqualitätsmessungen Ostluft Thurgau – Jahresmittelwerte (parquet)

de: Luftqualitätsmessungen Ostluft Thurgau – Jahresmittelwerte (rdfxml)

de: Luftqualitätsmessungen Ostluft Thurgau – Jahresmittelwerte (jsonld)

de: Luftqualitätsmessungen Ostluft Thurgau – Jahresmittelwerte (turtle)

de: Luftqualitätsmessungen Ostluft Thurgau – Jahresmittelwerte (n3)

de: Luftqualitätsmessungen Ostluft Thurgau – Jahresmittelwerte (xls)

feinstaub

display_name: feinstaub

imissionen

display_name: imissionen

luft

display_name: luft

luftdruck

display_name: luftdruck

luftfeuchte

display_name: luftfeuchte

luftqualitat

display_name: luftqualitat

luftschadstoff

display_name: luftschadstoff

ostluft

display_name: ostluft

ozon

display_name: ozon

stickstoff

display_name: stickstoff

temperatur

display_name: temperatur

wind

display_name: wind


de: Der Datensatz enthält die Jahresberichte der politischen Gemeinden im Kanton Thurgau, bestehend aus den Kontensalden per 31.12. des entsprechenden Jahres für Erfolgsrechnung, Investitionsrechnung und Bilanz. Die Konten sind auf 4. Stelle verdichtet, die Funktionen auf 3. Stelle.Die Einteilung der Konten basiert auf dem Kontenplan, wie er in der Fachempfehlung 03 des Schweizerischen Rechnungslegungsgremiums für den öffentlichen Sektor (SRS-CSPCP) vorgesehen ist. Der Kontenplan umfasst eine vierstellige Struktur und wird regelmäßig (im Prinzip jährlich) aktualisiert. Die aktuellste Version kann hier eingesehen werden: [Harmonisierter Kontenplan | SRS-CSPCP](https://www.srs-cspcp.ch/de/harmonisierter-kontenplan-n17986).Datenquelle: Finanzverwaltung Kanton Thurgau

de: gemeindefinanzen gemeinde bilanz erfolgsrechnung kontenrahmen finanzen kennzahlen haushalt gemeindehaushalt investition konto

de: Gemeinderechnungen 2023

gove

de: Regierung und öffentlicher Sektor

de: Gemeinderechnungen 2023 (csv)

de: csv

de: Gemeinderechnungen 2023 (json)

de: json

de: Gemeinderechnungen 2023 (jsonl)

de: jsonl

de: Gemeinderechnungen 2023 (parquet)

de: parquet

de: Gemeinderechnungen 2023 (rdfxml)

de: rdfxml

de: Gemeinderechnungen 2023 (jsonld)

de: jsonld

de: Gemeinderechnungen 2023 (turtle)

de: turtle

de: Gemeinderechnungen 2023 (n3)

de: Gemeinderechnungen 2023 (xls)

bilanz

display_name: bilanz

erfolgsrechnung

display_name: erfolgsrechnung

finanzen

display_name: finanzen

gemeinde

display_name: gemeinde

gemeindefinanzen

display_name: gemeindefinanzen

gemeindehaushalt

display_name: gemeindehaushalt

haushalt

display_name: haushalt

investition

display_name: investition

kennzahlen

display_name: kennzahlen


de:
Die hier veröffentlichten Datensätze für die Messstationen Weinfelden und Konstanz stammen aus dem automatischen Messnetz von Ostluft, das kontinuierlich verschiedene Luftschadstoffe (z.B. NO₂, PM₁₀, O₃) und teilweise meteorologische Parameter (z.B. Temperatur, Luftdruck, Wind) erfasst.
Jeder Datensatz enthält zeitlich aufgelöste Einzelmesswerte im Halbstunden-, Stun-den- oder Tagesintervall, je nach Version. Die Daten geben an: Start- und Endzeit der Messung, die bezeichnende Messstelle, den Messwert, sowie den zugehöri-gen Indikator (z.B. „Luftdruck“, „NO₂“) und eine eindeutige Stations-ID (Messstation-ID).
Die Daten werden direkt aus dem standardisierten Ostluft Messnetz übernommen. Die Qualitätssicherung erfolgt gemäß den Richtlinien der Schweizer Luftreinhaltever-ordnung (LRV). Es handelt sich bei den exportierten Daten um vorläufige Werte, die erst mit der Veröffentlichung des Jahresberichts definitiv bestätigt werden. In der Regel ist die vollständige Datenbereinigung Ende April des Folgejahres abgeschlossen.
Aus Speicherplatzgründen finden sich hier nur die Daten für die letzten 365 Tage. Vollständige Datensätze für ganze Jahre können über folgenden Link als gezippte CSV heruntergeladen werden:

[https://ogdtg.ch/ostluft/gleitender_tagesmittelwert_JAHR.csv.gz](https://ogdtg.ch/ostluft/gleitender_tagesmittelwert_JAHR.csv.gz)
Beispiel 2023: [https://ogdtg.ch/ostluft/gleitender_tagesmittelwert_2023.csv.gz](https://ogdtg.ch/ostluft/gleitender_tagesmittelwert_2023.csv.gz)
Alle verfügbaren Jahre: [https://ogdtg.ch/ostluft/gleitender_tagesmittelwert_full.csv.gz](https://ogdtg.ch/ostluft/stundenwert_full.csv.gz)

Gemäss Ostluft Messkonzept wird die Messstation beim Berufsbildungszentrum in Weinfelden alle zwei Jahre (gerade Jahre; Wechselstandort), die Messstation Konstanz Wallgutstrasse alljährlich betrieben.
Die Daten können außerdem über [ostluft.ch/messwerte/datenabfrage](https://www.ostluft.ch/messwerte/datenabfrage) individuell gefiltert und als CSV-Datei heruntergeladen werden.
Weitere Informationen zu den gemessenen Schadstoffen und Indikatoren finden Sie [hier](https://www.ostluft.ch/grundlagen).
Bei Fragen wenden Sie sich an die Ostluft Datenzentrale: [datenzentrale@ostluft.ch](mailto:datenezentrale@ostluft.ch)

de: luftschadstoff luft imissionen stickstoff feinstaub luftdruck temperatur luftfeuchte ostluft ozon wind luftqualitat

kanton-thurgau

de: Der Kanton Thurgau veröffentlicht hier schrittweise OGD-Datensätze der kantonalen Verwaltung.

de: Kanton Thurgau

de: kanton-thurgau

envi

de: Umwelt

de: Luftqualitätsmessungen Ostluft Thurgau – Tagesmittelwerte (csv)

de: Luftqualitätsmessungen Ostluft Thurgau – Tagesmittelwerte (json)

de: Luftqualitätsmessungen Ostluft Thurgau – Tagesmittelwerte (jsonl)

de: Luftqualitätsmessungen Ostluft Thurgau – Tagesmittelwerte (parquet)

de: Luftqualitätsmessungen Ostluft Thurgau – Tagesmittelwerte (rdfxml)

de: Luftqualitätsmessungen Ostluft Thurgau – Tagesmittelwerte (jsonld)

de: Luftqualitätsmessungen Ostluft Thurgau – Tagesmittelwerte (turtle)

de: Luftqualitätsmessungen Ostluft Thurgau – Tagesmittelwerte (n3)

de: Luftqualitätsmessungen Ostluft Thurgau – Tagesmittelwerte (xls)

de: xls

feinstaub

display_name: feinstaub

imissionen

display_name: imissionen

luft

display_name: luft

luftdruck

display_name: luftdruck

luftfeuchte

display_name: luftfeuchte


de: Der Datensatz enthält die Linienkennzahlen zum Öffentlichen Regionalverkehr im Kanton Thurgau. Dazu zählen die Linienlänge, angebotene Anzahl Kurspaare, Fahrplankilometer, Anzahl beförderter Personen, Personenkilometer sowie der Abgeltungsanteil des Kantons Thurgau und der Kostendeckungsgrad ab dem Jahr 2019.Datenquelle: Generalsekretariat DIV Kanton Thurgau

de: ov verkehr bahn bus schiff regionalverkehr offentlicher-verkehr linien

tran

de: Verkehr

de: Linienkennzahlen zum Öffentlichen Regionalverkehr Kanton Thurgau (csv)

de: csv

de: Linienkennzahlen zum Öffentlichen Regionalverkehr Kanton Thurgau (json)

de: json

de: Linienkennzahlen zum Öffentlichen Regionalverkehr Kanton Thurgau (jsonl)

de: jsonl

de: Linienkennzahlen zum Öffentlichen Regionalverkehr Kanton Thurgau (parquet)

de: parquet

de: Linienkennzahlen zum Öffentlichen Regionalverkehr Kanton Thurgau (rdfxml)

de: rdfxml

de: Linienkennzahlen zum Öffentlichen Regionalverkehr Kanton Thurgau (jsonld)

de: jsonld

de: Linienkennzahlen zum Öffentlichen Regionalverkehr Kanton Thurgau (turtle)

de: turtle

de: Linienkennzahlen zum Öffentlichen Regionalverkehr Kanton Thurgau (n3)

de: Linienkennzahlen zum Öffentlichen Regionalverkehr Kanton Thurgau (xls)

bahn

display_name: bahn

bus

display_name: bus

linien

display_name: linien

offentlicher-verkehr

display_name: offentlicher-verkehr

ov

display_name: ov

regionalverkehr

display_name: regionalverkehr

schiff

display_name: schiff

verkehr

display_name: verkehr


de: Der Datensatz enthält Informationen zu den aktuellen Mitgliedern des Grossen Rats. Die Daten werden täglich mit der online verfügbaren Mitgliederliste abgeglichen und bei Änderungen automatisch aktualisiert. Die Daten enthalten immer die aktuellen Mitglieder des Grossen Rats und zeigen keinen historisierten Verlauf.Alle Informationen finden Sie hier: [https://parlament.tg.ch/de/mitglieder](https://parlament.tg.ch/de/mitglieder)

de: mitglieder grosser-rat grosser kantonsrat grossratswahlen fraktion partei pdf mitgliederliste grdata

kanton-thurgau

de: Der Kanton Thurgau veröffentlicht hier schrittweise OGD-Datensätze der kantonalen Verwaltung.

de: Kanton Thurgau

de: kanton-thurgau

gove

de: Regierung und öffentlicher Sektor

de: Aktuelle Mitglieder des Grossen Rats des Kantons Thurgau (csv)

de: Aktuelle Mitglieder des Grossen Rats des Kantons Thurgau (json)

de: Aktuelle Mitglieder des Grossen Rats des Kantons Thurgau (jsonl)

de: Aktuelle Mitglieder des Grossen Rats des Kantons Thurgau (parquet)

de: Aktuelle Mitglieder des Grossen Rats des Kantons Thurgau (rdfxml)

de: Aktuelle Mitglieder des Grossen Rats des Kantons Thurgau (jsonld)

de: Aktuelle Mitglieder des Grossen Rats des Kantons Thurgau (turtle)

de: Aktuelle Mitglieder des Grossen Rats des Kantons Thurgau (n3)

de: Aktuelle Mitglieder des Grossen Rats des Kantons Thurgau (xls)

de: xls

fraktion

display_name: fraktion

grdata

display_name: grdata

grosser

display_name: grosser

grosser-rat

display_name: grosser-rat

grossratswahlen

display_name: grossratswahlen

kantonsrat

display_name: kantonsrat

mitglieder

display_name: mitglieder

mitgliederliste

display_name: mitgliederliste

partei

display_name: partei

pdf

display_name: pdf


de: Der Datensatz enthält den Bestand der im Kanton Thurgau registrierten Wasserfahrzeuge mit Angaben zu Standort, Schiffsart, besonderer Verwendung sowie zu technischen Merkmalen wie Abmessungen, Segelfläche, Antrieb, Motorisierung, Leistung, Treibstoff und Abgasnorm. Zusätzlich ist ein Stichtag ausgewiesen.Datenquelle: Kantonspolizei Kanton Thurgau

de: wasserfahrzeuge bestand standort schiffsart verwendung antrieb motorleistung treibstoff abgasnorm

tran

de: Verkehr

de: Bestand der bei der Schifffahrtskontrolle des Kantons Thurgau immatrikulierten Wasserfahrzeuge 2022 (csv)

de: csv

de: Bestand der bei der Schifffahrtskontrolle des Kantons Thurgau immatrikulierten Wasserfahrzeuge 2022 (json)

de: json

de: Bestand der bei der Schifffahrtskontrolle des Kantons Thurgau immatrikulierten Wasserfahrzeuge 2022 (jsonl)

de: jsonl

de: Bestand der bei der Schifffahrtskontrolle des Kantons Thurgau immatrikulierten Wasserfahrzeuge 2022 (parquet)

de: parquet

de: Bestand der bei der Schifffahrtskontrolle des Kantons Thurgau immatrikulierten Wasserfahrzeuge 2022 (rdfxml)

de: rdfxml

de: Bestand der bei der Schifffahrtskontrolle des Kantons Thurgau immatrikulierten Wasserfahrzeuge 2022 (jsonld)

de: jsonld

de: Bestand der bei der Schifffahrtskontrolle des Kantons Thurgau immatrikulierten Wasserfahrzeuge 2022 (turtle)

de: turtle

de: Bestand der bei der Schifffahrtskontrolle des Kantons Thurgau immatrikulierten Wasserfahrzeuge 2022 (n3)

de: Bestand der bei der Schifffahrtskontrolle des Kantons Thurgau immatrikulierten Wasserfahrzeuge 2022 (xls)

abgasnorm

display_name: abgasnorm

antrieb

display_name: antrieb

bestand

display_name: bestand

motorleistung

display_name: motorleistung

schiffsart

display_name: schiffsart

standort

display_name: standort

treibstoff

display_name: treibstoff

verwendung

display_name: verwendung

wasserfahrzeuge

display_name: wasserfahrzeuge


de: Bodenmessdaten der automatischen Wetterstationen, automatischen Niederschlagsstationen, manuellen Niederschlagsstationen und Pollenstationen im Kanton Thurgau. Daten in weiteren zeitlichen Granularitäten (Jahres-, Monats,- und 10-Minutenwerte) können hier bezogen werden: https://www.meteoschweiz.admin.ch/service-und-publikationen/service/open-data.htmlDatenquelle: MeteoSchweiz Kanton Thurgau

de: niederschlag wetter meteoschweiz meteoswiss temperatur tageswert

kanton-thurgau

de: Der Kanton Thurgau veröffentlicht hier schrittweise OGD-Datensätze der kantonalen Verwaltung.

de: Kanton Thurgau

de: kanton-thurgau

envi

de: Umwelt

de: MeteoSchweiz Manuelle Niederschlagsstationen: Tageswerte - Niederneunforn (NIE) (csv)

de: MeteoSchweiz Manuelle Niederschlagsstationen: Tageswerte - Niederneunforn (NIE) (json)

de: MeteoSchweiz Manuelle Niederschlagsstationen: Tageswerte - Niederneunforn (NIE) (jsonl)

de: MeteoSchweiz Manuelle Niederschlagsstationen: Tageswerte - Niederneunforn (NIE) (parquet)

de: MeteoSchweiz Manuelle Niederschlagsstationen: Tageswerte - Niederneunforn (NIE) (rdfxml)

de: MeteoSchweiz Manuelle Niederschlagsstationen: Tageswerte - Niederneunforn (NIE) (jsonld)

de: MeteoSchweiz Manuelle Niederschlagsstationen: Tageswerte - Niederneunforn (NIE) (turtle)

de: MeteoSchweiz Manuelle Niederschlagsstationen: Tageswerte - Niederneunforn (NIE) (n3)

de: MeteoSchweiz Manuelle Niederschlagsstationen: Tageswerte - Niederneunforn (NIE) (xls)

de: xls

meteoschweiz

display_name: meteoschweiz

meteoswiss

display_name: meteoswiss

niederschlag

display_name: niederschlag

tageswert

display_name: tageswert

temperatur

display_name: temperatur

wetter

display_name: wetter


de: Der Datensatz enthält die Anzahl der in Verkehr gesetzten Strassenfahrzeuge im Kanton Thurgau. Berücksichtigt werden alle Fahrzeuge, die im Kanton Thurgau im Verkehr sind. Die Daten stammen aus dem Open Data Bestand des Bundesamt für Strassen (ASTRA). Für weitere Informationen zur Unterteilung der Fahrzeuge nach Art siehe [https://www.astra.admin.ch/dam/astra/de/dokumente/fahrzeuge/anhang_iv_uebersichtueberdieabhaengigkeitenzwischendenfahrzeugar.pdf.download.pdf/anhang_iv_uebersichtueberdieabhaengigkeitenzwischendenfahrzeugar.pdf](https://www.astra.admin.ch/dam/astra/de/dokumente/fahrzeuge/anhang_iv_uebersichtueberdieabhaengigkeitenzwischendenfahrzeugar.pdf.download.pdf/anhang_iv_uebersichtueberdieabhaengigkeitenzwischendenfahrzeugar.pdf) und nach Gruppe siehe [https://www.astra.admin.ch/dam/astra/de/dokumente/homologation_vonfahrzeugen/fahrzeugeinteilung.pdf.download.pdf/fahrzeugeinteilung.pdf](https://www.astra.admin.ch/dam/astra/de/dokumente/homologation_vonfahrzeugen/fahrzeugeinteilung.pdf.download.pdf/fahrzeugeinteilung.pdfhttps://www.astra.admin.ch/dam/astra/de/dokumente/homologation_vonfahrzeugen/fahrzeugeinteilung.pdf.download.pdf/fahrzeugeinteilung.pdf)Datenquelle: Strassenverkehrsamt Kanton Thurgau

de: strassenfahrzeuge gemeinde treibstoff fahrzeugart fahrzeuggruppe

tran

de: Verkehr

de: Fahrzeugbestand Kanton Thurgau am 01.01.2021 (csv)

de: csv

de: Fahrzeugbestand Kanton Thurgau am 01.01.2021 (json)

de: json

de: Fahrzeugbestand Kanton Thurgau am 01.01.2021 (jsonl)

de: jsonl

de: Fahrzeugbestand Kanton Thurgau am 01.01.2021 (parquet)

de: parquet

de: Fahrzeugbestand Kanton Thurgau am 01.01.2021 (rdfxml)

de: rdfxml

de: Fahrzeugbestand Kanton Thurgau am 01.01.2021 (jsonld)

de: jsonld

de: Fahrzeugbestand Kanton Thurgau am 01.01.2021 (turtle)

de: turtle

de: Fahrzeugbestand Kanton Thurgau am 01.01.2021 (n3)

de: Fahrzeugbestand Kanton Thurgau am 01.01.2021 (xls)

fahrzeugart

display_name: fahrzeugart

fahrzeuggruppe

display_name: fahrzeuggruppe

gemeinde

display_name: gemeinde

strassenfahrzeuge

display_name: strassenfahrzeuge


de: Der vorliegende Datensatz enthält die meteorologischen Daten zur Fluglärm-Messstation in Iselisberg TG. Die Sinus AG betreibt die Messstation im Auftrag des kantonalen Departements für Bau und Umwelt neben einem Wohnquartier in Iselisberg TG, weil der Kanton Thurgau im An- und Abflugbereich des Flughafens Zürich liegt. In die Messstation integriert ist eine Wetterstation, die Windgeschwindigkeit, Windrichtung, Temperatur, Feuchtigkeit, Luftdruck und Tages-Niederschlag aufzeichnet.

de: dezibel fluglarm fluglarmmonitoring larmschutz larmschutzverordnung monitoring umweltschutz iselisberg region-frauenfeld meteorologie

kanton-thurgau

de: Der Kanton Thurgau veröffentlicht hier schrittweise OGD-Datensätze der kantonalen Verwaltung.

de: Kanton Thurgau

de: kanton-thurgau

envi

de: Umwelt

de: Fluglärmmonitoring Region Frauenfeld (Iselisberg TG): Meteorologie Iselisberg (TG) (csv)

de: Fluglärmmonitoring Region Frauenfeld (Iselisberg TG): Meteorologie Iselisberg (TG) (json)

de: Fluglärmmonitoring Region Frauenfeld (Iselisberg TG): Meteorologie Iselisberg (TG) (jsonl)

de: Fluglärmmonitoring Region Frauenfeld (Iselisberg TG): Meteorologie Iselisberg (TG) (parquet)

de: Fluglärmmonitoring Region Frauenfeld (Iselisberg TG): Meteorologie Iselisberg (TG) (rdfxml)

de: Fluglärmmonitoring Region Frauenfeld (Iselisberg TG): Meteorologie Iselisberg (TG) (jsonld)

de: Fluglärmmonitoring Region Frauenfeld (Iselisberg TG): Meteorologie Iselisberg (TG) (turtle)

de: Fluglärmmonitoring Region Frauenfeld (Iselisberg TG): Meteorologie Iselisberg (TG) (n3)

de: Fluglärmmonitoring Region Frauenfeld (Iselisberg TG): Meteorologie Iselisberg (TG) (xls)

de: xls

dezibel

display_name: dezibel

fluglarm

display_name: fluglarm

fluglarmmonitoring

display_name: fluglarmmonitoring

iselisberg

display_name: iselisberg

larmschutz

display_name: larmschutz

larmschutzverordnung

display_name: larmschutzverordnung

meteorologie

display_name: meteorologie

monitoring

display_name: monitoring

region-frauenfeld

display_name: region-frauenfeld

umweltschutz

display_name: umweltschutz


de:
Der vorliegende Datensatz beinhaltet die Resultate des Fluglärmmonitorings Region Frauenfeld.Die Daten wurden bisher pro Zeitintervall einzeln veröffentlicht und sin nun in diesem Datensatz zusammengefasst. Weil der Kanton Thurgau im An- und Abflugbereich des Flughafens Zürich liegt, hat das kantonale Departement für Bau und Umwelt die Sinus Engineering AG mit diesem lokalen Fluglärmmonitoring beauftragt. Die Messstation steht neben einer Wohnzone in Iselisberg (TG).

Ausgewertet werden die Tagesstunden von 6 bis 22 Uhr (Tag), die sensiblen Nachtstunden von 22 bis 24 Uhr (1. Nachtstunde und 2. Nachtstunde) sowie der frühe Morgen von 5 bis 6 Uhr (letzte Nachtstunde). Die Lärmmessungen unterstützen die Behörden in den verschiedenen Verfahren rund um den Betrieb des Flughafens Zürich und dienen den Lärmbetroffenen als Information. Die Messungen werden monatlich auf [https://dbu.tg.ch](https://dbu.tg.ch/downloads-services/fluglaermmonitoring.html/1452) unter Downloads publiziert und in einem Jahresbericht zusammengefasst.Hinweise:Fehlende Messwerte können mehrere Gründe haben. In der Spalte Bemerkung sind diese angegeben. Sie lauten generell: Ungültig wegen Fremdlärm, Ungültig wegen Windeinfluss, Ungültig wegen TechnikDes Weiteren gilt zu beachten, dass Werte in der Spalte leq_gesamtlärm durch Fremdlärm oder Windgeräusche an diesem Tag stark beeinflusst sein können und in den PDF Berichten daher nicht in der Monatsmittelwertbildung berücksichtigt werden. Derzeit ist es technisch nicht möglich, diese Werte in den OGD-Daten zu kennzeichnen, weshalb zur Überprüfung die Berichte unter [https://dbu.tg.ch/downloads-services/fluglaermmonitoring.html/1452](https://dbu.tg.ch/downloads-services/fluglaermmonitoring.html/1452) beachtet werden müssen.

de: balterswil dezibel fluglarm fluglarmmonitoring hinterthurgau larmschutz larmschutzverordnung monitoring umweltschutz

tran

de: Verkehr

de: Fluglärmmonitoring Region Frauenfeld (Iselisberg TG) ab 2021 (csv)

de: csv

de: Fluglärmmonitoring Region Frauenfeld (Iselisberg TG) ab 2021 (json)

de: json

de: Fluglärmmonitoring Region Frauenfeld (Iselisberg TG) ab 2021 (jsonl)

de: jsonl

de: Fluglärmmonitoring Region Frauenfeld (Iselisberg TG) ab 2021 (parquet)

de: parquet

de: Fluglärmmonitoring Region Frauenfeld (Iselisberg TG) ab 2021 (rdfxml)

de: rdfxml

de: Fluglärmmonitoring Region Frauenfeld (Iselisberg TG) ab 2021 (jsonld)

de: jsonld

de: Fluglärmmonitoring Region Frauenfeld (Iselisberg TG) ab 2021 (turtle)

de: turtle

de: Fluglärmmonitoring Region Frauenfeld (Iselisberg TG) ab 2021 (n3)

de: Fluglärmmonitoring Region Frauenfeld (Iselisberg TG) ab 2021 (xls)

balterswil

display_name: balterswil

hinterthurgau

display_name: hinterthurgau


de: Die Übersicht zeigt alle Schülerinnen und Schüler der öffentlichen Volksschule des Kantons Thurgau ab 2021 nach Staatsangehörigkeit. Mit Volksschule wird die Schulbildung während der obligatorischen Schulzeit bezeichnet. Die obligatorische Schulzeit umfasst den Kindergarten, sechs Jahre Primarschule und drei Jahre Sekundarstufe I. Nicht mitgezählt sind Schülerinnen und Schüler der Mittelschulen, Schülerinnen und Schüler in Sonderklassen (besondere Klassen) und Sonderschulen, sowie Schülerinnen und Schüler in Privatschulen. Es gilt das Schulstandortprinzip - gezählt werden Schülerinnen und Schüler, welche eine Schule innerhalb des Kantons Thurgau besuchen.Stichtag: jeweils am 15. SeptemberHinweis: Aus Datenschutzgründen wird bei Kategorien mit 5 oder weniger Schülerinnen und Schüler die Kategorie als Sammelkategorie (1 bis 5) dargestellt resp. die Länder nach Grossregionen oder allenfalls nach Kontinenten zusammengefasst.

de: volksschule bildungsstatistik schuler schulerin kindergarten primarschule sekundarschule offentlich nationalitat lernende

kanton-thurgau

de: Der Kanton Thurgau veröffentlicht hier schrittweise OGD-Datensätze der kantonalen Verwaltung.

de: Kanton Thurgau

de: kanton-thurgau

soci

de: Bevölkerung und Gesellschaft

educ

de: Bildung, Kultur und Sport

en: Education, culture and sport

fr: Éducation, culture et sport

it: Istruzione, cultura e sport

de: Schülerinnen und Schüler der öffentlichen Volksschule nach Staatsangehörigkeit im Kanton Thurgau (csv)

de: Schülerinnen und Schüler der öffentlichen Volksschule nach Staatsangehörigkeit im Kanton Thurgau (json)

de: Schülerinnen und Schüler der öffentlichen Volksschule nach Staatsangehörigkeit im Kanton Thurgau (jsonl)

de: Schülerinnen und Schüler der öffentlichen Volksschule nach Staatsangehörigkeit im Kanton Thurgau (parquet)

de: Schülerinnen und Schüler der öffentlichen Volksschule nach Staatsangehörigkeit im Kanton Thurgau (rdfxml)

de: Schülerinnen und Schüler der öffentlichen Volksschule nach Staatsangehörigkeit im Kanton Thurgau (jsonld)

de: Schülerinnen und Schüler der öffentlichen Volksschule nach Staatsangehörigkeit im Kanton Thurgau (turtle)

de: Schülerinnen und Schüler der öffentlichen Volksschule nach Staatsangehörigkeit im Kanton Thurgau (n3)

de: Schülerinnen und Schüler der öffentlichen Volksschule nach Staatsangehörigkeit im Kanton Thurgau (xls)

de: xls

bildungsstatistik

display_name: bildungsstatistik

kindergarten

display_name: kindergarten

lernende

display_name: lernende

nationalitat

display_name: nationalitat

offentlich

display_name: offentlich

primarschule

display_name: primarschule

schuler

display_name: schuler

schulerin

display_name: schulerin

sekundarschule

display_name: sekundarschule

volksschule

display_name: volksschule


de: Die Übersicht zeigt alle Schülerinnen und Schüler der öffentlichen Volksschule des Kantons Thurgau ab 2021 nach Schulgemeinde und Erstsprache (Deutsch vs. übrige Sprachen). Mit Volksschule wird die Schulbildung während der obligatorischen Schulzeit bezeichnet. Die obligatorische Schulzeit umfasst den Kindergarten, sechs Jahre Primarschule und drei Jahre Sekundarstufe I. Nicht mitgezählt sind Schülerinnen und Schüler der Mittelschulen, Schülerinnen und Schüler in Sonderklassen (besondere Klassen) und Sonderschulen, sowie Schülerinnen und Schüler in Privatschulen. Es gilt das Schulstandortprinzip - gezählt werden Schülerinnen und Schüler, welche eine Schule innerhalb des Kantons Thurgau besuchen.Stichtag: jeweils am 15. September Hinweis: Aus Datenschutzgründen wird bei Kategorien mit 5 oder weniger Schülerinnen und Schüler die Kategorie als Sammelkategorie (1 bis 5) dargestellt.

de: volksschule bildungsstatistik schuler schulerin kindergarten primarschule sekundarschule offentlich nationalitat lernende schulgemeinde

de: Schülerinnen und Schüler der öffentlichen Volksschule nach Schulgemeinde und Erstsprache im Kanton Thurgau (csv)

de: csv

de: Schülerinnen und Schüler der öffentlichen Volksschule nach Schulgemeinde und Erstsprache im Kanton Thurgau (json)

de: json

de: Schülerinnen und Schüler der öffentlichen Volksschule nach Schulgemeinde und Erstsprache im Kanton Thurgau (jsonl)

de: jsonl

de: Schülerinnen und Schüler der öffentlichen Volksschule nach Schulgemeinde und Erstsprache im Kanton Thurgau (parquet)

de: parquet

de: Schülerinnen und Schüler der öffentlichen Volksschule nach Schulgemeinde und Erstsprache im Kanton Thurgau (rdfxml)

de: rdfxml

de: Schülerinnen und Schüler der öffentlichen Volksschule nach Schulgemeinde und Erstsprache im Kanton Thurgau (jsonld)

de: jsonld

de: Schülerinnen und Schüler der öffentlichen Volksschule nach Schulgemeinde und Erstsprache im Kanton Thurgau (turtle)

de: turtle

de: Schülerinnen und Schüler der öffentlichen Volksschule nach Schulgemeinde und Erstsprache im Kanton Thurgau (n3)

de: Schülerinnen und Schüler der öffentlichen Volksschule nach Schulgemeinde und Erstsprache im Kanton Thurgau (xls)

schulgemeinde

display_name: schulgemeinde