fr: Résultats finaux de l'élection régionale "Churwalden", 14 juin 2026, Graubünden - Grischun - Grigioni, répartis par municipalités et par candidats.

it: Risultati finali della elezione regionale "Churwalden", 14 giugno 2026, Graubünden - Grischun - Grigioni, suddivisi per municipalit e candidati.

de: Schlussresultate der regionalen Wahl "Churwalden", 14. Juni 2026, Graubünden - Grischun - Grigioni, aufgeschlüsselt nach Kandidaten und Gemeinden.

rm: Resultats finals da l'elecziun regiunala "Churwalden", 14 da zercladur 2026, Graubünden - Grischun - Grigioni, resultats da tut las candidatas e da tut ils candidats tenor vischnancas.

fr: Churwalden

it: Churwalden

de: Churwalden

rm: Churwalden

standeskanzlei-graubuenden

de: Die Standeskanzlei liefert ausgewählte Open Government Daten aus den Bereichen Parlament, Regierung und Verwaltung, insbesondere zu Abstimmungen und Wahlen.


$oid: OBSOLETE

fr: Résultats finaux de l'élection régionale "Chur", 14 juin 2026, Graubünden - Grischun - Grigioni, répartis par municipalités et par candidats.

it: Risultati finali della elezione regionale "Chur", 14 giugno 2026, Graubünden - Grischun - Grigioni, suddivisi per municipalit e candidati.

de: Schlussresultate der regionalen Wahl "Chur", 14. Juni 2026, Graubünden - Grischun - Grigioni, aufgeschlüsselt nach Kandidaten und Gemeinden.

rm: Resultats finals da l'elecziun regiunala "Cuira", 14 da zercladur 2026, Graubünden - Grischun - Grigioni, resultats da tut las candidatas e da tut ils candidats tenor vischnancas.

fr: Chur

it: Chur

de: Chur

rm: Cuira

de: wahl regional-regionlabelgr

fr: election regional-regionlabelgr

it: elezione regionale-regionlabelgr

approval_status: approved

fr: La Chancellerie d’État fournit des données publiques librement accessibles triées sur le volet, qui proviennent du Parlement, du gouvernement et de l’administration et qui portent notamment sur les votations et les élections.

en: The State Chancellery provides selected open government data from parliament, government and administration, particularly on votes and elections.

it: La Cancelleria fornisce dati selezionati dai settori Parlamento, Governo e Amministrazione, concernenti in particolare votazioni ed elezioni, come Open Government Data.

de: Standeskanzlei Graubünden

en: State Chancellery of Grisons

fr: Chancellerie d’État des Grisons

it: Cancelleria dello Stato dei Grigioni

political_level: canton

state: active

type: organization

kanton-graubuenden

capacity: public

de: Description du format

en: Description du format

fr: Description du format

it: Description du format

de: Descrizione del formato

en: Descrizione del formato

fr: Descrizione del formato

it: Descrizione del formato

de: Formatbeschreibung

en: Formatbeschreibung

fr: Formatbeschreibung

it: Formatbeschreibung

de: Descripziun dal format

en: Descripziun dal format

fr: Descripziun dal format

it: Descripziun dal format

type: dataset

key: guid

key: uri

value: GR-Kt - Standeskanzlei - DCAT Harvester

gove

de: Regierung und öffentlicher Sektor

en: Government and public sector

fr: Gouvernement et secteur public

it: Governo e settore pubblico

format: CSV

identifier: csv

media_type: text/csv

format: JSON

identifier: json

media_type: application/json

election

display_name: election

elecziun

display_name: elecziun

elezione

display_name: elezione

plaun-regiunal-regionlabelgr

display_name: plaun-regiunal-regionlabelgr

regional-regionlabelgr

display_name: regional-regionlabelgr

regionale-regionlabelgr

display_name: regionale-regionlabelgr

wahl

display_name: wahl


fr: Résultats finaux de l'élection régionale "Calanca", 14 juin 2026, Graubünden - Grischun - Grigioni, répartis par municipalités et par candidats.

it: Risultati finali della elezione regionale "Calanca", 14 giugno 2026, Graubünden - Grischun - Grigioni, suddivisi per municipalit e candidati.

de: Schlussresultate der regionalen Wahl "Calanca", 14. Juni 2026, Graubünden - Grischun - Grigioni, aufgeschlüsselt nach Kandidaten und Gemeinden.

rm: Resultats finals da l'elecziun regiunala "Calanca", 14 da zercladur 2026, Graubünden - Grischun - Grigioni, resultats da tut las candidatas e da tut ils candidats tenor vischnancas.

fr: Calanca

it: Calanca

de: Calanca

rm: Calanca


fr: Résultats finaux de l'élection régionale "Brusio", 14 juin 2026, Graubünden - Grischun - Grigioni, répartis par municipalités et par candidats.

it: Risultati finali della elezione regionale "Brusio", 14 giugno 2026, Graubünden - Grischun - Grigioni, suddivisi per municipalit e candidati.

de: Schlussresultate der regionalen Wahl "Brusio", 14. Juni 2026, Graubünden - Grischun - Grigioni, aufgeschlüsselt nach Kandidaten und Gemeinden.

rm: Resultats finals da l'elecziun regiunala "Brusio", 14 da zercladur 2026, Graubünden - Grischun - Grigioni, resultats da tut las candidatas e da tut ils candidats tenor vischnancas.

fr: Brusio

it: Brusio

de: Brusio

rm: Brusio


fr: Résultats finaux de l'élection régionale "Breil/Brigels", 14 juin 2026, Graubünden - Grischun - Grigioni, répartis par municipalités et par candidats.

it: Risultati finali della elezione regionale "Breil/Brigels", 14 giugno 2026, Graubünden - Grischun - Grigioni, suddivisi per municipalit e candidati.

de: Schlussresultate der regionalen Wahl "Breil/Brigels", 14. Juni 2026, Graubünden - Grischun - Grigioni, aufgeschlüsselt nach Kandidaten und Gemeinden.

rm: Resultats finals da l'elecziun regiunala "Breil", 14 da zercladur 2026, Graubünden - Grischun - Grigioni, resultats da tut las candidatas e da tut ils candidats tenor vischnancas.

fr: Breil/Brigels

it: Breil/Brigels

de: Breil/Brigels

rm: Breil


fr: Résultats finaux de l'élection régionale "Bergün", 14 juin 2026, Graubünden - Grischun - Grigioni, répartis par municipalités et par candidats.

it: Risultati finali della elezione regionale "Bergün", 14 giugno 2026, Graubünden - Grischun - Grigioni, suddivisi per municipalit e candidati.

de: Schlussresultate der regionalen Wahl "Bergün", 14. Juni 2026, Graubünden - Grischun - Grigioni, aufgeschlüsselt nach Kandidaten und Gemeinden.

rm: Resultats finals da l'elecziun regiunala "Bravuogn", 14 da zercladur 2026, Graubünden - Grischun - Grigioni, resultats da tut las candidatas e da tut ils candidats tenor vischnancas.

fr: Bergün

it: Bergün

de: Bergün

rm: Bravuogn


fr: Résultats finaux de l'élection régionale "Belfort", 14 juin 2026, Graubünden - Grischun - Grigioni, répartis par municipalités et par candidats.

it: Risultati finali della elezione regionale "Belfort", 14 giugno 2026, Graubünden - Grischun - Grigioni, suddivisi per municipalit e candidati.

de: Schlussresultate der regionalen Wahl "Belfort", 14. Juni 2026, Graubünden - Grischun - Grigioni, aufgeschlüsselt nach Kandidaten und Gemeinden.

rm: Resultats finals da l'elecziun regiunala "Belfort", 14 da zercladur 2026, Graubünden - Grischun - Grigioni, resultats da tut las candidatas e da tut ils candidats tenor vischnancas.

fr: Belfort

it: Belfort

de: Belfort

rm: Belfort

standeskanzlei-graubuenden

de: Die Standeskanzlei liefert ausgewählte Open Government Daten aus den Bereichen Parlament, Regierung und Verwaltung, insbesondere zu Abstimmungen und Wahlen.


fr: Résultats finaux de l'élection régionale "Avers", 14 juin 2026, Graubünden - Grischun - Grigioni, répartis par municipalités et par candidats.

it: Risultati finali della elezione regionale "Avers", 14 giugno 2026, Graubünden - Grischun - Grigioni, suddivisi per municipalit e candidati.

de: Schlussresultate der regionalen Wahl "Avers", 14. Juni 2026, Graubünden - Grischun - Grigioni, aufgeschlüsselt nach Kandidaten und Gemeinden.

rm: Resultats finals da l'elecziun regiunala "Avras", 14 da zercladur 2026, Graubünden - Grischun - Grigioni, resultats da tut las candidatas e da tut ils candidats tenor vischnancas.

fr: Avers

it: Avers

de: Avers

rm: Avras

de: wahl regional-regionlabelgr

fr: election regional-regionlabelgr

it: elezione regionale-regionlabelgr

fr: La Chancellerie d’État fournit des données publiques librement accessibles triées sur le volet, qui proviennent du Parlement, du gouvernement et de l’administration et qui portent notamment sur les votations et les élections.

it: La Cancelleria fornisce dati selezionati dai settori Parlamento, Governo e Amministrazione, concernenti in particolare votazioni ed elezioni, come Open Government Data.

de: Standeskanzlei Graubünden


fr: Résultats finaux de l'élection régionale "Alvaschein", 14 juin 2026, Graubünden - Grischun - Grigioni, répartis par municipalités et par candidats.

it: Risultati finali della elezione regionale "Alvaschein", 14 giugno 2026, Graubünden - Grischun - Grigioni, suddivisi per municipalit e candidati.

de: Schlussresultate der regionalen Wahl "Alvaschein", 14. Juni 2026, Graubünden - Grischun - Grigioni, aufgeschlüsselt nach Kandidaten und Gemeinden.

rm: Resultats finals da l'elecziun regiunala "Alvaschagn", 14 da zercladur 2026, Graubünden - Grischun - Grigioni, resultats da tut las candidatas e da tut ils candidats tenor vischnancas.

fr: Alvaschein

it: Alvaschein

de: Alvaschein

rm: Alvaschagn

fr: Chancellerie d’État des Grisons

it: Cancelleria dello Stato dei Grigioni

de: Description du format

fr: Description du format

it: Description du format

de: Descrizione del formato

fr: Descrizione del formato

it: Descrizione del formato

de: Formatbeschreibung

fr: Formatbeschreibung

it: Formatbeschreibung

de: Descripziun dal format


fr: Résultats finaux de l'élection régionale "Bregaglia", 14 juin 2026, Graubünden - Grischun - Grigioni, répartis par municipalités et par candidats.

it: Risultati finali della elezione regionale "Bregaglia", 14 giugno 2026, Graubünden - Grischun - Grigioni, suddivisi per municipalit e candidati.

de: Schlussresultate der regionalen Wahl "Bregaglia", 14. Juni 2026, Graubünden - Grischun - Grigioni, aufgeschlüsselt nach Kandidaten und Gemeinden.

rm: Resultats finals da l'elecziun regiunala "Bregaglia", 14 da zercladur 2026, Graubünden - Grischun - Grigioni, resultats da tut las candidatas e da tut ils candidats tenor vischnancas.

fr: Bregaglia

it: Bregaglia

de: Bregaglia

rm: Bregaglia

fr: Descripziun dal format

it: Descripziun dal format

gove

de: Regierung und öffentlicher Sektor

fr: Gouvernement et secteur public

it: Governo e settore pubblico


fr: Résultats finaux de l'élection cantonale "Regierungswahlen 2026", 14 juin 2026, Graubünden - Grischun - Grigioni, répartis par municipalités et par candidats.

it: Risultati finali della elezione cantonale "Elezioni del Governo 2026", 14 giugno 2026, Graubünden - Grischun - Grigioni, suddivisi per municipalit e candidati.

de: Schlussresultate der kantonalen Wahl "Regierungswahlen 2026", 14. Juni 2026, Graubünden - Grischun - Grigioni, aufgeschlüsselt nach Kandidaten und Gemeinden.

rm: Resultats finals da l'elecziun chantunala "Elecziuns da la Regenza 2026", 14 da zercladur 2026, Graubünden - Grischun - Grigioni, resultats da tut las candidatas e da tut ils candidats tenor vischnancas.

fr: Regierungswahlen 2026

it: Elezioni del Governo 2026

de: Regierungswahlen 2026

rm: Elecziuns da la Regenza 2026

de: wahl kantonal

fr: election cantonal

it: elezione cantonale

cantonal

display_name: cantonal

cantonale

display_name: cantonale

kantonal

display_name: kantonal

plaun-chantunal

display_name: plaun-chantunal


hydrometrie-thurgau-messstationen

de: Der Datensatz beinhaltet Informationen zu den Messtationen des Hydrologischen Messnetzes im Kanton Thurgau. Über die im Datensatz enthaltene Objekt ID (obj_id) können die Daten mit den jeweiligen Messwerten gejoint werden. Es ist zu beachten, dass eine Messstation mehrere Objekt ID enthalten kann. Jeder Parameter einer Messstation hat eine Objekt ID.Datenbezug erfolgt über ThurGIS. Hier können alle Messtationen und deren Standorte kartografisch eingesehen werden.https://map.geo.tg.ch/apps/mf-geoadmin3/?lang=de&topic=ech&layers=hydrologische_messnetze_werterhebung&layers_opacity=0.9

de: Hydrometrie Thurgau - Messstationen

de: gewasserqualitat fliessgewasser gewasser grundwasserschutz temperatur wasserstand bodensee fluss untersee abfluss pegel hydrologie

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

de: kanton-thurgau

title_for_slug: hydrometrie-thurgau-messstationen

value: TG-Kt DCAT Harvester

envi

de: Umwelt

en: Environment

fr: Environnement

it: Ambiente

de: Hydrometrie Thurgau - Messstationen (csv)

de: csv

de: Hydrometrie Thurgau - Messstationen (json)

de: json

de: Hydrometrie Thurgau - Messstationen (fgb)

de: fgb

format: OCTET

de: Hydrometrie Thurgau - Messstationen (geojson)

de: geojson

de: Hydrometrie Thurgau - Messstationen (gpx)

de: gpx

format: GPX

de: Hydrometrie Thurgau - Messstationen (jsonl)

de: jsonl

de: Hydrometrie Thurgau - Messstationen (kml)

de: kml

format: KML

de: Hydrometrie Thurgau - Messstationen (ov2)

format: TXT

media_type: text/plain

de: Hydrometrie Thurgau - Messstationen (parquet)

de: parquet

format: PARQUET

de: Hydrometrie Thurgau - Messstationen (rdfxml)

de: rdfxml

format: RDF XML

media_type: application/rdf+xml

de: Hydrometrie Thurgau - Messstationen (jsonld)

de: jsonld

format: JSON-LD

de: Hydrometrie Thurgau - Messstationen (turtle)

de: turtle

format: RDF Turtle

media_type: text/turtle

de: Hydrometrie Thurgau - Messstationen (n3)

de: Hydrometrie Thurgau - Messstationen (shp)

de: shp

format: ZIP

media_type: application/zip

de: Hydrometrie Thurgau - Messstationen (xls)


de: Hinweis: Aus Kapazitätsgründen können hier direkt nur die Daten der letzten 10 Jahre heruntergeladen werden. Den vollständigen Datensatz ab 2010 finden Sie unter folgendem Link: [https://ogdtg.ch/gebaeude/whn.csv.gz](https://ogdtg.ch/gebaeude/whn.csv.gz)Der Datensatz enthält die Anzahl Wohnungen ab dem Jahr 2010 nach Gebäudekategorie, Bauperiode des Gebäudes, Anzahl Geschosse im Gebäude, Flächenkategorie und Anzahl Zimmer der Wohnung auf Gemeindeebene.Die Daten stammen aus der Gebäude- und Wohnungsstatistik (GWS) des Bundesamts für Statistik (BFS), welche Daten aus dem eidgenössischen Gebäude- und Wohnungsregister (GWR) mit Daten der harmonisierten Einwohnerregister (EWR) sowie der Strukturerhebung (SE) kombiniert.Hinweis zur Datenqualität: Die Gebäude- und Wohnungsmerkmale weisen teilweise fehlende Angaben (Missings) auf. Diese werden vom BFS mittels statistischer Imputation ergänzt. Dabei wird sichergestellt, dass die statistische Verteilung der beobachteten Werte grundsätzlich erhalten bleibt. Die so vervollständigten Daten eignen sich für statistische Auswertungen, sofern keine kleinräumigen geografischen Einheiten betrachtet werden. Mehr zur Erhebung unter: https://www.bfs.admin.ch/bfs/de/home/statistiken/bau-wohnungswesen/erhebungen/gws2009.assetdetail.36053362.htmlDie Angaben zur Bauperiode beziehen sich jeweils auf das Gebäude. Die Wohnungsstatstik enthält weder Aussagen zur Bauperiode noch zur Sanierung der einzelnen Wohnungen in Gebäuden mit mehr als einer Wohnung. Gleiches gilt für Angaben zur Etage, auf der sich die jeweilige Wohnung befindet; in der Statistik wird lediglich die Anzahl der Etagen pro Gebäude erhoben.Dieser Datensatz löst den Datensatz Gebäude mit Wohnungen nach Gebäudekategorie und Politischer Gemeinde (Bestand) (https://data.tg.ch/explore/dataset/sk-stat-89/table/?sort=jahr) ab und liefert zusätzliche Auswertungsmöglichkeiten.Datenquelle: Amt für Daten und Statistik Kanton Thurgau

de: gebaude gebaudekategorie gws bauperiode geschosse gemeinde stockwerk wohnung wohngebaude flache zimmer

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

en: Population and society

fr: Population et société

it: Popolazione e società

regi

de: Regionen und Städte

en: Regions and cities

fr: Régions et villes

it: Regioni e città

de: Wohnungsstatistik ab 2010 nach Politischen Gemeinden (csv)

de: csv

de: Wohnungsstatistik ab 2010 nach Politischen Gemeinden (json)

de: json

de: Wohnungsstatistik ab 2010 nach Politischen Gemeinden (jsonl)

de: Wohnungsstatistik ab 2010 nach Politischen Gemeinden (parquet)

de: Wohnungsstatistik ab 2010 nach Politischen Gemeinden (rdfxml)

de: Wohnungsstatistik ab 2010 nach Politischen Gemeinden (jsonld)

de: Wohnungsstatistik ab 2010 nach Politischen Gemeinden (turtle)

de: Wohnungsstatistik ab 2010 nach Politischen Gemeinden (n3)

de: Wohnungsstatistik ab 2010 nach Politischen Gemeinden (xls)

de: xls

format: XLS

bauperiode

display_name: bauperiode

flache

display_name: flache

gebaude

display_name: gebaude

gebaudekategorie

display_name: gebaudekategorie

gemeinde

display_name: gemeinde

geschosse

display_name: geschosse

gws

display_name: gws

stockwerk

display_name: stockwerk

wohngebaude

display_name: wohngebaude

wohnung

display_name: wohnung


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/stundenwert_JAHR.csv.gz](https://ogdtg.ch/ostluft/stundenwert_JAHR.csv.gz)
Beispiel 2023: [https://ogdtg.ch/ostluft/stundenwert_2023.csv.gz](https://ogdtg.ch/ostluft/stundenwert_2023.csv.gz)
Alle verfügbaren Jahre: [https://ogdtg.ch/ostluft/stundenwert_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 schadstoffbelastung schadstoff feinstaub luftdruck temperatur ostluft stickstoff ozon wind luftqualitat

kanton-thurgau

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

envi

de: Umwelt

de: Luftqualitätsmessungen Ostluft Thurgau – Stundenwerte (csv)

de: Luftqualitätsmessungen Ostluft Thurgau – Stundenwerte (json)

de: Luftqualitätsmessungen Ostluft Thurgau – Stundenwerte (jsonl)

de: jsonl

de: Luftqualitätsmessungen Ostluft Thurgau – Stundenwerte (parquet)

de: parquet

de: Luftqualitätsmessungen Ostluft Thurgau – Stundenwerte (rdfxml)

de: rdfxml

de: Luftqualitätsmessungen Ostluft Thurgau – Stundenwerte (jsonld)

de: jsonld

de: Luftqualitätsmessungen Ostluft Thurgau – Stundenwerte (turtle)

de: turtle

de: Luftqualitätsmessungen Ostluft Thurgau – Stundenwerte (n3)

de: Luftqualitätsmessungen Ostluft Thurgau – Stundenwerte (xls)

feinstaub

display_name: feinstaub

luft

display_name: luft

luftdruck

display_name: luftdruck

luftqualitat

display_name: luftqualitat

luftschadstoff

display_name: luftschadstoff

ostluft

display_name: ostluft

ozon

display_name: ozon

schadstoff

display_name: schadstoff

schadstoffbelastung

display_name: schadstoffbelastung

stickstoff

display_name: stickstoff

temperatur

display_name: temperatur

wind

display_name: wind


de: Der Datensatz beinhaltet alle Firmenkonkurse nach Branchen ab dem Jahr 2021 auf Kantonsebene.Datenquelle: Amt für Betreibungs- und Konkurswesen Kanton Thurgau

de: konkurs firma branche insolvenz betreibung

kanton-thurgau

de: Kanton Thurgau

de: kanton-thurgau

econ

de: Wirtschaft und Finanzen

en: Economy and finance

fr: Économie et finances

it: Economia e finanze

de: Konkurse nach Branchen ab 2021 im Kanton Thurgau (csv)

de: csv

de: Konkurse nach Branchen ab 2021 im Kanton Thurgau (json)

de: json

de: Konkurse nach Branchen ab 2021 im Kanton Thurgau (jsonl)

de: Konkurse nach Branchen ab 2021 im Kanton Thurgau (parquet)

de: Konkurse nach Branchen ab 2021 im Kanton Thurgau (rdfxml)

de: Konkurse nach Branchen ab 2021 im Kanton Thurgau (jsonld)

de: Konkurse nach Branchen ab 2021 im Kanton Thurgau (turtle)

de: Konkurse nach Branchen ab 2021 im Kanton Thurgau (n3)

de: Konkurse nach Branchen ab 2021 im Kanton Thurgau (xls)

de: xls

betreibung

display_name: betreibung

branche

display_name: branche

firma

display_name: firma

insolvenz

display_name: insolvenz

konkurs

display_name: konkurs


de: Der Datensatz enthält die Anzahl Gebäude ab dem Jahr 2010 nach Gebäudekategorie, Bauperiode, Anzahl Geschosse, Eigentümertyp, Primäres Heizsystem und Hauptener-giequelle auf Gemeindeebene.Die Variablen „Eigentümertyp”, „primäres Heizsystem” und „Hauptenergiequelle” sind ab dem Erhebungsjahr 2021 verfügbar.Die Daten stammen aus der Gebäude- und Wohnungsstatistik (GWS) des Bundesamts für Statistik (BFS), welche Daten aus dem eidgenössischen Gebäude- und Wohnungsregister (GWR) mit Daten der harmonisierten Einwohnerregister (EWR) sowie der Strukturerhebung (SE) kombiniert.Hinweis zur Datenqualität: Die Gebäude- und Wohnungsmerkmale weisen teilweise fehlende Angaben (Missings) auf. Diese werden vom BFS mittels statistischer Imputation ergänzt. Dabei wird sichergestellt, dass die statistische Verteilung der beobachteten Werte grundsätzlich erhalten bleibt. Die so vervollständigten Daten eignen sich für sta-tistische Auswertungen, sofern keine kleinräumigen geografischen Einheiten betrachtet werden. Mehr zur Erhebung unter: https://www.bfs.admin.ch/bfs/de/home/statistiken/bau-wohnungswesen/erhebungen/gws2009.assetdetail.36053362.htmlDieser Datensatz löst den Datensatz Gebäude mit Wohnnutzung nach Gebäudekategorie und Politischer Gemeinde (Bestand) (https://data.tg.ch/explore/dataset/sk-stat-88/table/?sort=jahr) ab und liefert zusätzliche Auswertungsmöglichkeiten.Datenquelle: Amt für Daten und Statistik Kanton Thurgau

de: gebaude gebaudekategorie gws bauperiode geschosse gemeinde stockwerk heizungsart energietrager heizung warmwasser eigentumer

kanton-thurgau

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

soci

de: Bevölkerung und Gesellschaft

regi

de: Regionen und Städte

de: Gebäudestatistik ab 2010 nach Politischen Gemeinden (csv)

de: Gebäudestatistik ab 2010 nach Politischen Gemeinden (json)

de: Gebäudestatistik ab 2010 nach Politischen Gemeinden (jsonl)

de: jsonl

de: Gebäudestatistik ab 2010 nach Politischen Gemeinden (parquet)

de: parquet

de: Gebäudestatistik ab 2010 nach Politischen Gemeinden (rdfxml)

de: rdfxml

de: Gebäudestatistik ab 2010 nach Politischen Gemeinden (jsonld)

de: jsonld

de: Gebäudestatistik ab 2010 nach Politischen Gemeinden (turtle)

de: turtle

de: Gebäudestatistik ab 2010 nach Politischen Gemeinden (n3)

de: Gebäudestatistik ab 2010 nach Politischen Gemeinden (xls)

bauperiode

display_name: bauperiode

eigentumer

display_name: eigentumer

energietrager

display_name: energietrager

gebaude

display_name: gebaude

gebaudekategorie

display_name: gebaudekategorie

gemeinde

display_name: gemeinde

geschosse

display_name: geschosse

gws

display_name: gws

heizung

display_name: heizung

heizungsart

display_name: heizungsart


de: Statistisches Jahrbuch der Schweiz 1970

fr: Annuaire statistique de la Suisse 1970

bundesamt-fur-statistik-bfs

fr: L'OFS est le centre de compétence de la statistique publique suisse. Il produit des informations statistiques sur la population, l'économie, la société, la formation et la recherche, le territoire et l'environnement. Ces informations servent à la formation de l’opinion publique. Elles sont un outil de planification et de gouvernance dans tous les domaines de l’action politique et contribuent au bon fonctionnement de notre État moderne et démocratique.

de: Das BFS ist das nationale Kompetenzzentrum der öffentlichen Statistik der Schweiz. Es produziert und publiziert statistische Informationen über den Stand und die Entwicklung von Bevölkerung, Wirtschaft, Gesellschaft, Bildung, Forschung, Raum und Umwelt. Diese Informationen dienen der Meinungsbildung in der Bevölkerung sowie der Planung und Steuerung von zentralen Politikbereichen. Sie leisten einen wichtigen Beitrag für einen modernen, demokratischen Staat.

en: The FSO is Switzerland's national competence centre for official statistics. It produces and publishes statistical information on the status and development of the population, economy, society, education, research, territory and the environment. This information is used for opinion building among the population and for the planning and management of key policy areas. They make an important contribution to a modern, democratic state.

it: L’UST è il centro di competenza nazionale per la statistica pubblica della Svizzera. Produce e pubblica informazioni statistiche sullo stato e sull'evoluzione della popolazione, dell'economia, della società, della formazione, della ricerca, del territorio e dell'ambiente. Queste informazioni servono alla formazione dell'opinione pubblica nonché alla pianificazione e alla gestione in ambiti politici di centrale importanza. Forniscono un importante contributo per uno Stato moderno e democratico.

de: Bundesamt für Statistik BFS

en: Federal Statistical Office FSO

fr: Office fédéral de la statistique OFS

it: Ufficio federale di statistica UST

political_level: confederation

fr: Office fédéral de la statistique

it: Ufficio federale di statistica

en: Federal Statistical Office

de: Bundesamt für Statistik

spatial: Schweiz

value: BFS - DCAT Harvester

gove

de: Regierung und öffentlicher Sektor

format: HTML

media_type: text/html

format: PDF

media_type: application/pdf

basas-statisticas-e-survistas

display_name: basas-statisticas-e-survistas

bases-statistiques-et-generalites

display_name: bases-statistiques-et-generalites

grundlagen-und-ubersichten

display_name: grundlagen-und-ubersichten

statistical-basis-and-overviews

display_name: statistical-basis-and-overviews


de: Eintritte in die Hochschulen nach ISCED-Ausbildungsfeld

fr: Entrants dans une haute école selon le domaine CITE

educ

de: Bildung, Kultur und Sport

en: Education, culture and sport

fr: Éducation, culture et sport

it: Istruzione, cultura e sport

bildung-und-wissenschaft

display_name: bildung-und-wissenschaft

education-and-science

display_name: education-and-science

education-et-science

display_name: education-et-science

formazione-e-scienza

display_name: formazione-e-scienza

furmaziun-e-scienza

display_name: furmaziun-e-scienza


de: Medizinisch unterstützte Fortpflanzung: behandelte Personen, Indikationen und Anwendung von gespendeten Samenzellen

fr: Procréation médicalement assistée: personnes traitées, indications et recours au don de sperme

heal

de: Gesundheit

en: Health

fr: Santé

it: Salute

gesundheit

display_name: gesundheit

health

display_name: health

salute

display_name: salute

sanadad

display_name: sanadad

sante

display_name: sante


de: Liste der Kinoregionen

fr: Liste des régions cinématographiques


de: Entwicklung der Schadstoff-Emissionen

fr: Evolution des émissions polluantes

envi

de: Umwelt

espace-et-environnement

display_name: espace-et-environnement

raum-und-umwelt

display_name: raum-und-umwelt

territori-ed-ambient

display_name: territori-ed-ambient

territorio-e-ambiente

display_name: territorio-e-ambiente

territory-and-environment

display_name: territory-and-environment


de: Vorleistungen und Abschreibungen der Forstwirtschaft. Zu laufenden Preisen

fr: Consommation intermédiaire et consommation de capital fixe de la sylviculture. Aux prix courants

agri

de: Landwirtschaft, Fischerei, Forstwirtschaft und Nahrungsmittel

en: Agriculture, fisheries, forestry and food

fr: Agriculture, pêche, sylviculture et alimentation

it: Agricoltura, pesca, silvicoltura e prodotti alimentari

agricoltura-e-selvicoltura

display_name: agricoltura-e-selvicoltura

agricultura-ed-economia-forestala

display_name: agricultura-ed-economia-forestala

agriculture-and-forestry

display_name: agriculture-and-forestry

agriculture-et-sylviculture

display_name: agriculture-et-sylviculture

land--und-forstwirtschaft

display_name: land--und-forstwirtschaft


de: Arbeitsproduktivität des Sektors IKT und Medien

fr: Productivité du travail du secteur TIC et média


fr: Privations matérielles et sociales, selon différentes caractéristiques socio-professionnelles

de: Materielle und soziale Deprivation, nach verschiedenen sozioprofessionellen Merkmalen

soci

de: Bevölkerung und Gesellschaft


de: Dieses Dataset präsentiert die jährlichen Zahlen der Ferienwochen pro Jahr der Vollzeitarbeitnehmenden im Alter von 15 bis 64 Jahren nach Altersgruppe und Wirtschaftsabschnitt.

fr: Ce dataset présente les chiffres annuels des semaines de vacances par année des salariés à plein temps âgés de 15 à 64 ans selon les groupes d'âges et les sections économiques.

fr: Semaines de vacances par année des salariés à plein temps âgés de 15 à 64 ans selon les groupes d'âges et les sections économiques

econ

de: Wirtschaft und Finanzen

arbeit-und-erwerb

display_name: arbeit-und-erwerb

lavoro-e-reddito

display_name: lavoro-e-reddito

lavur-e-gudogn

display_name: lavur-e-gudogn

travail-et-remuneration

display_name: travail-et-remuneration

work-and-income

display_name: work-and-income


fr: Analyse spéciale sur les aides financières Covid-19 dans le secteur culturel

bundesamt-fur-statistik-bfs

de: Das BFS ist das nationale Kompetenzzentrum der öffentlichen Statistik der Schweiz. Es produziert und publiziert statistische Informationen über den Stand und die Entwicklung von Bevölkerung, Wirtschaft, Gesellschaft, Bildung, Forschung, Raum und Umwelt. Diese Informationen dienen der Meinungsbildung in der Bevölkerung sowie der Planung und Steuerung von zentralen Politikbereichen. Sie leisten einen wichtigen Beitrag für einen modernen, demokratischen Staat.

de: Bundesamt für Statistik BFS


de: Der Angebotsplan für die On-Demand Angebote (Bedarfsverkehre) in der Schweiz. Bei diesen Angeboten können Kund*innen eine Fahrt (meist) unabhängig von einem Fahrplan buchen. Die Angebote sind meist auf Pooling (mehrere Fahrgäste werden gemeinsam transportiert) und komplementär zum öV ausgerichtet.

en: The service plan for on-demand services in Switzerland. With these offers, customers can (usually) book a journey independently of a timetable. The services are mostly geared towards pooling (several passengers are transported together) and complementary to public transport.

fr: Le plan d'offre pour les offres On-Demand (transport à la demande) en Suisse. Avec ces offres, les clients* peuvent réserver un trajet (le plus souvent) indépendamment d'un horaire. Les offres sont généralement axées sur le pooling (plusieurs passagers sont transportés ensemble) et sont complémentaires aux transports publics.

it: Il piano di servizio per i servizi on-demand in Svizzera. Con queste offerte, i clienti possono (di solito) prenotare un viaggio indipendentemente dall'orario. I servizi sono per lo più orientati al pooling (più passeggeri vengono trasportati insieme) e complementari al trasporto pubblico.

de: (Beta) Angebotsplan HRDF für On-Demand-Verkehre

en: (Beta) Offer plan HRDF for demand responsive traffic

fr: (Beta) Plan de l'offre HRDF pour le trafic à la demande

it: (Beta) Piano di offerta HRDF per il traffico a richiesta

oevch

fr: Le Secrétariat des tâches du système d’information à la clientèle (SKI) publie pour le compte de l’OFT les données de l’ensemble des transports publics de Suisse.

en: Working on behalf of the Swiss Federal Office of Transport (FOT), the Customer Information System Tasks (SKI) business office publishes data on all public transport in Switzerland

de: Die Geschäftsstelle Systemaufgaben Kundeninformation (SKI) veröffentlicht im Auftrag des BAV die Daten des gesamten öffentlichen Verkehrs der Schweiz

it: Il servizio commerciale Attività di sistema Informazione alla clientela (SKI) pubblica, per conto dell’UFT, i dati di tutto il trasporto pubblico in Svizzera.

de: Geschäftsstelle Systemaufgaben Kundeninformation (SBB AG)

en: Business office of Customer Information System Tasks (SBB CFF FFS)

fr: Secrétariat des tâches du système d’information à la clientèle (CFF SA)

it: Servizio commerciale Attività di sistema Informazione alla clientela (FFS SA)

political_level: other

de: Cookbook (Documentation)

en: Cookbook (Documentation)

fr: Cookbook (Documentation)

it: Cookbook (Documentation)

value: Opentransportdata - DCAT Harvester

tran

de: Verkehr

en: Transport

fr: Transports

it: Trasporti


de:
Der Fahrplan enthält die grundlegenden topologischen, sowie die zeitlichen Elemente, die eine Fahrplandarstellung und -auskunft ermöglichen.

WICHTIG: Dieser Datensatz enthält die Fahrplaninformationen zum Autoverlad auf Fähren und Züge und ist nicht für Informationen an Fussgänger geeignet.

Enthalten sind aktuell die Daten der BLS, RhB und MGB.

Daten 2025 und älter sind in unserem Datenarchiv zu finden: https://archive.opentransportdata.swiss

en:
The timetable contains the essential topological and temporal elements that enable timetable display and information. The timetable is provided in the HAFAS raw data format (HRDF).

IMPORTANT: This dataset contains the timetable information for car transfer to ferries and trains and is not suitable for information to pedestrians.

Currently, data of BLS, RhB and MGB is included.

Data 2025 and older can be found in our data archive: https://archive.opentransportdata.swiss

fr:
L’horaire comprend les éléments topologiques et temporels fondamentaux permettant la représentation de l’horaire et la fourniture d’informations à ce sujet. L’horaire est fourni au format de données brutes HAFAS (HRDF).

IMPORTANT : Ce jeu de données contient les informations sur les horaires pour le chargement des voitures sur les ferries et les trains et ne convient pas pour les informations aux piétons.

Actuellement, les données du BLS, RhB et du MGB sont incluses dans le jeu de données.

Les données 2025 et antérieures se trouvent dans nos archives de données : https://archive.opentransportdata.swiss

it:
L’orario contiene l’elemento topologico basilare e anche l’elemento temporale, che consentono la rappresentazione dell’orario e le informazioni sull’orario. L’orario viene messo a disposizione tramite il formato Raw HAFAS (HRDF).

IMPORTANTE: Questo set di dati contiene le informazioni sugli orari per il trasferimento delle auto su traghetti e treni e non è adatto per le informazioni ai pedoni.

I dati BLS, RhB e MGB sono attualmente inclusi nel set di dati.

I dati del 2025 e precedenti sono disponibili nel nostro archivio dati: https://archive.opentransportdata.swiss

de: Fahrplan 2027 (HRDF) Format 5.4 für den Autoverlad

en: Timetable 2027 (HRDF) Format 5.4 for car transport

fr: Horaire 2027 (HRDF) Format 5.4 pour transport autos

it: Orario 2027 (HRDF) Format 5.4 per il trasporto macchina

en: hrdf data car-transport timetable car motorised-private-transport motorist multi-modal-journey inter-modal-journey car-train motorail-services

de: hrdf daten autoverlad fahrplan auto motorisierter-individualverkehr automobilist multi-modales-reisen inter-modales-reisen autozug

fr: hrdf donnees transport-autos horaire auto transport-individuel-motorise automobiliste voyage-multimodal voyage-intermodal train-autos

it: hrdf dati transporto-macchina orario macchina transporto-privato-motorizzato automobilist multi-modal-transport inter-modal-transport treno-auto

de: Fahrplan (INFO+)

en: Timetable (INFO+)

fr: Horaire (INFO+)

it: Orario (INFO+)

de: HAFAS-Rohdaten-Format

en: HAFAS-Rohdaten-Format

fr: HAFAS-Rohdaten-Format

it: HAFAS-Rohdaten-Format


de: Fahrplan 2026 (HRDF) Format 5.4 für den Autoverlad

en: Timetable 2026 (HRDF) Format 5.4 for car transport

fr: Horaire 2026 (HRDF) Format 5.4 pour transport autos

it: Orario 2026 (HRDF) Format 5.4 per il trasporto macchina

it: hrdf dati trasporto-macchina orario macchina trasporto-privato-motorizzato automobilist multi-modal-transport inter-modal-transport treno-auto


de:
Der Fahrplan enthält die grundlegenden topologischen, sowie die zeitlichen Elemente, die eine Fahrplandarstellung und -auskunft des öffentlichen Verkehrs der Schweiz ermöglichen.

Daten 2025 und älter sind in unserem Datenarchiv zu finden: https://archive.opentransportdata.swiss

en:
The timetable contains the essential topological and temporal elements that enable timetable display and information of the public transport of Switzerland. The timetable is provided in the HAFAS raw data format (HRDF).

Data 2025 and older can be found in our data archive: https://archive.opentransportdata.swiss

fr:
L’horaire comprend les éléments topologiques et temporels fondamentaux permettant la représentation de l’horaire du transport public de la suisse et la fourniture d’informations à ce sujet. L’horaire est fourni au format de données brutes HAFAS (HRDF).

Les données 2025 et antérieures se trouvent dans nos archives de données : https://archive.opentransportdata.swiss

it:
L’orario contiene l’elemento topologico basilare e anche l’elemento temporale, che consentono la rappresentazione dell’orario e le informazioni sull’orario dei trasporti pubblici della svizzera. L’orario viene messo a disposizione tramite il formato Raw HAFAS (HRDF).

I dati del 2025 e precedenti sono disponibili nel nostro archivio dati: https://archive.opentransportdata.swiss

de: Fahrplan 2027 (HRDF) Format 5.4

en: Timetable 2027 (HRDF) Format 5.4

fr: Horaire 2027 (HRDF) Format 5.4

it: Orario 2027 (HRDF) Format 5.4

en: hrdf data timetable

de: hrdf daten embag haltestelle verkehrsmittel linie geschaftsorganisation fahrplan fahrt zug bus seilbahn passagier monilitatsdienstleister

fr: hrdf donnees horaire

it: hrdf dati orario


de: Fahrplan 2026 (HRDF) Format 5.4

en: Timetable 2026 (HRDF) Format 5.4

fr: Horaire 2026 (HRDF) Format 5.4

it: Orario 2026 (HRDF) Format 5.4

en: hrdf data timetable 2026 swiss switzerland

de: hrdf daten embag haltestelle verkehrsmittel linie geschaftsorganisation fahrplan fahrt zug bus seilbahn passagier mobilitatsdienstleister 2026 schweiz

fr: hrdf donnees horaire 2026 suisse

it: hrdf dati orario 2026 svizzera

de: Die Datenlieferung enthält Fehler, welche mit der nächsten Lieferung vom 21.11.2025 korrigiert werden.

en: The data delivery contains errors that will be corrected with the next data delivery on 21 November 2025.

fr: La livraison des données contient des erreurs qui seront corrigées lors de la prochaine livraison, le 21 novembre 2025.

it: La consegna dei dati contiene errori che saranno corretti con la prossima consegna del 21.11.2025.


haltestelle-perron

de: The platform is the part of the stop that is raised up from the railway tracks. It is used by passengers boarding, alighting from or waiting for a train. Platforms can be divided into sectors.This data set contains the structural length of the platforms. This can differ from the effective useful length on which passengers can board and alight.<

de: Stop: platform length (body)

de: infrastructure station

schweizerische-bundesbahnen-sbb

fr:
Les CFF sont l’un des piliers d’une mobilité durable en Suisse. Chaque jour, les CFF acheminent 1,18 million de voyageurs et 210 000 tonnes de marchandises, de manière ponctuelle et respectueuse de l’environnement.

Le chemin de fer crée des liens à travers toute la Suisse, par-delà les frontières linguistiques, culturelles et politiques. Du point de vue économique et social, il contribue ainsi à la qualité de vie et à la compétitivité de notre pays. Mais les CFF ne sont pas qu’une entreprise de chemin de fer moderne et performante. En leur qualité d’employeur, de commanditaire, de propriétaire et de gérant d’immeubles, ils sont responsables de la Suisse, de ses régions et de l’environnement.

de:
Die SBB ist das Rückgrat einer nachhaltigen Mobilität in der Schweiz. Täglich sind 1,18 Millionen Reisende und 210'000 Tonnen Güter mit der SBB sicher, pünktlich und umweltfreundlich unterwegs.

Die Eisenbahn verbindet die Schweiz über alle sprachlichen, kulturellen und politischen Grenzen hinweg und leistet in wirtschaftlicher und gesellschaftlicher Hinsicht einen überaus wertvollen Beitrag an die Lebensqualität und Wettbewerbsfähigkeit unseres Landes. Die SBB ist aber weit mehr als ein modernes und leistungsfähiges Bahnunternehmen. Auch als Arbeits- und Auftraggeberin sowie als Immobilienbesitzerin und ‑bewirtschafterin übernimmt sie Verantwortung für die Schweiz, ihre Regionen und die Umwelt.

en:
SBB is the backbone of sustainable mobility in Switzerland. Every day, it safely transports 1.18 million passengers and 210,000 tonnes of freight on time and in an environmentally friendly manner.

The railway transcends all linguistic, cultural and political boundaries to bring Switzerland together, and in economic and social terms, it makes a vital contribution to the quality of life and competitiveness of our country. However, SBB is much more than just a modern, efficient railway company. As an employer and contractor, a property owner and a real estate manager, SBB takes responsibility for Switzerland, its regions and the environment.

it:
Le FFS assumono la loro responsabilità.

Consigliare ad altri

Condividere

Le FFS sono la colonna portante della mobilità sostenibile in Svizzera. Ogni giorno 1,18 milioni di viaggiatori e quasi 210 000 tonnellate di merci viaggiano con le FFS in modo sicuro, puntuale e rispettoso dell'ambiente.

La ferrovia unisce la Svizzera oltre i confini linguistici, culturali e politici e dal punto di vista economico e sociale assicura un contributo oltremodo prezioso alla qualità di vita e alla competitività del nostro Paese. Le FFS tuttavia sono ben più di un'impresa ferroviaria moderna e altamente performante. Esse assumono la loro responsalibità per la Svizzera, le sue regioni e l'ambiente anche come datore di lavoro, di committenti, così come di proprietarie e amministratrici di fondi e di immobili.

de: Schweizerische Bundesbahnen SBB

en: Swiss Federal Railways SBB

fr: Chemins de fer fédéraux suisses CFF

it: Ferrovie federali svizzere FFS

de: schweizerische-bundesbahnen-sbb

title_for_slug: haltestelle-perron

value: SBB - DCAT Harvester

de: Stop: platform length (body) (csv)

de: csv

de: Stop: platform length (body) (json)

de: json

de: Stop: platform length (body) (fgb)

de: fgb

de: Stop: platform length (body) (geojson)

de: geojson

de: Stop: platform length (body) (gpx)

de: gpx

de: Stop: platform length (body) (jsonl)

de: jsonl

de: Stop: platform length (body) (kml)

de: kml

de: Stop: platform length (body) (ov2)

de: Stop: platform length (body) (parquet)

de: parquet

de: Stop: platform length (body) (rdfxml)

de: rdfxml

de: Stop: platform length (body) (jsonld)

de: jsonld


median-der-indikatoren-nach-kategorie

de: Wichtige Effizienz-Indikatoren einschliesslich Preistrends.

en: Key efficiency indicators, including price trends.

fr: Indicateurs d'efficacité importants, y compris les tendances des prix.

it: Indicatori di efficienza importanti, comprese le tendenze dei prezzi.

en: Median of Indicators by category

de: Median der Indikatoren nach Kategorie

fr: Médiane des Indicateurs par catégorie

it: Mediana degli Indicatori per categoria

elcom

fr: L'ElCom est l'autorité fédérale indépendante de régulation dans le domaine de l'électricité. Elle surveille le respect de la loi sur l'approvisionnement en électricité et de la loi sur l'énergie, prenant les mesures et rendant les décisions nécessaires à cet effet. Elle surveille les prix de l'électricité et tranche en cas de divergences concernant l'accès au réseau. Elle vérifie la sécurité de l'approvisionnement du pays en électricité et règle les questions de transport et de commerce international d'électricité. Enfin, l’ElCom rend des décisions en matière de rétribution de reprise ainsi que dans le cadre de litiges opposant des auto-consommateurs à leur gestionnaire de réseau.

en: ElCom is Switzerland's independent regulatory authority in the electricity sector. It is responsible for monitoring compliance with the Swiss Federal Electricity Act and the Swiss Federal Energy Act, taking all necessary related decisions and pronouncing rulings where required. ElCom monitors electricity prices and rules on disputes relating to Network access. It also monitors electricity supply security and regulates issues relating to international electricity transmission and trading. ElCom is responsible for ruling on disputes concerning feed-in tariffs and between network operators and independent producers.

de: Die ElCom ist die unabhängige staatliche Regulierungsbehörde im Elektrizitätsbereich. Sie überwacht die Einhaltung des Stromversorgungs- und Energiegesetzes, trifft die dazu nötigen Entscheide und erlässt Verfügungen. Sie beaufsichtigt die Strompreise und entscheidet bei Differenzen betreffend den Netzzugang. Sie überwacht zudem die Versorgungssicherheit im Strombereich und regelt Fragen zum internationalen Stromtransport und -handel. Schliesslich entscheidet die ElCom in Streitigkeiten zu Rückliefervergütungen sowie zwischen Netzbetreiber und Eigenverbraucher.

it: La ElCom è l‘autorità di regolazione statale e indipendente del settore elettrico. Essa vigila sul rispetto della legge sull‘approvvigionamento elettrico ed emana le decisioni necessarie. La ElCom vigila sui prezzi dell'energia elettrica e decide in caso di divergenze relative all'Accesso alla rete.

en: Federal Electricity Commission ElCom

fr: Commission fédérale de l'électricité ElCom

it: Commissione federale dell'energia elettrica ElCom

title_for_slug: median-der-indikatoren-nach-kategorie

value: LINDAS DCAT Harvester ELCOM

ener

de: Energie

en: Energy

fr: Énergie

it: Energia

econ

de: Wirtschaft und Finanzen

en: Economy and finance

fr: Économie et finances

it: Economia e finanze

de: SPARQL Endpoint mit Vorauswahl des Graph

en: SPARQL Endpoint with graph preselection

fr: SPARQL Endpoint avec présélection du graphe

format: SPARQL

media_type: application/sparql-query

de: Strompreise Schweiz

en: Electricity tariff in Switzerland

fr: Prix de l'électricité en Suisse

it: Tariffe dell’elettricità in Svizzera

format: SERVICE

courant

display_name: courant

electricity

display_name: electricity

energia-elettrica

display_name: energia-elettrica

strom

display_name: strom


median-der-indikatoren

en: Median of Indicators

de: Median der Indikatoren

fr: Médiane des Indicateurs

it: Mediana degli Indicatori

name: Commission fédérale de l'électricité ElCom

title_for_slug: median-der-indikatoren


indikatoren-nach-kategorie

en: Indicators by category

de: Indikatoren nach Kategorie

fr: Indicateurs par catégorie

it: Indicatori per categoria

title_for_slug: indikatoren-nach-kategorie


indikatoren

en: Indicators

de: Indikatoren

fr: Indicateurs

it: Indicatori

title_for_slug: indikatoren


median-strompreis-fur-die-schweiz

de: Median Strompreis für die Schweiz pro Verbrauchsprofile

en: Median electricity tariff for Switzerland by consumption profiles

fr: Prix médian du courant en Suisse par profils de consommation

it: Costo medio dell'energia elettrica in Svizzera per profili di consumo

de: Median Strompreis für die Schweiz

fr: Prix médian du courant en Suisse

it: Costo medio dell'energia elettrica per la Svizzera

title_for_slug: median-strompreis-fur-die-schweiz


median-strompreis-per-kanton

de: Median Strompreis per Region & Verbrauchsprofile

en: Median electricity tariff per region & consumption profiles

fr: Prix médian du courant par région et profils de consommation

it: Costo medio dell'energia elettrica per regione e profili di consumo

de: Median Strompreis per Kanton

en: Median electricity tariff per canton

fr: Prix médian du courant par canton

it: Costo medio dell'energia elettrica per cantone

title_for_slug: median-strompreis-per-kanton


strompreis-per-stromnetzbetreiber

de: Strompreise per Stromnetzbetreiber und Gemeinde in der Schweiz

en: Electricity tariff per provider and municipality in Switzerland

fr: Prix du courant par gestionnaire de réseau et par commune en Suisse

it: Costo dell'energia elettrica per gestore di rete e comune in Svizzera

de: Strompreis per Stromnetzbetreiber

en: Electricity tariff per provider

title_for_slug: strompreis-per-stromnetzbetreiber


en: Here we present 1,000 structures each of a water monomer, water dimer, Zundel cation and bulk water used to train tensorial machine-learning models in Phys. Rev. Lett. 120, 036002 (2018). The archive entry contains files in extended-XYZ format including the structures and several tensorial properties: for the monomer, dimer and Zundel cation, the dipole moment, polarizability and first hyperpolarizability are included, and for bulk water the dipole moment, polarizability and dielectric tensor are given.

en: Symmetry-Adapted Machine Learning for Tensorial Properties of Atomistic Systems

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: Materials Cloud

de: Materials Cloud

fr: Materials Cloud

it: Materials Cloud

value: DCAT Harvester Materials Cloud

envi

de: Umwelt

en: Environment

fr: Environnement

it: Ambiente

bulk

display_name: bulk

dielectric-tensor

display_name: dielectric-tensor

dipole-moment

display_name: dipole-moment

hyperpolarizability

display_name: hyperpolarizability

machine-learning

display_name: machine-learning

molecular

display_name: molecular

polarizability

display_name: polarizability

water

display_name: water


en: Biomolecular simulations have a great potential in protein engineering, drug discovery and many other fields. Unfortunately, this method is computationally expensive, so many interesting processes cannot be routinely studied. In order to address this problem we developed Flying Gaussian method [Journal of Chemical Theory and Computation 12, 4644-4650 (2016)]. This method simultaneously simulates multiple replicas of the studied system and disfavor replicas with similar structures by artificial bias potential. The question arises how to calculate an unbiased free energy surface from a biased simulation. This dataset demonstrates together with mathematical arguments supports application of Umbrella Sampling reweighing method, despite the fact that this method is designed for methods with a time-independent bias potential.

en: Free-Energy Surface Prediction by Flying Gaussian Method: Numerical Proof

flying-gaussian-method

display_name: flying-gaussian-method

metadynamics

display_name: metadynamics

molecular-dynamics-simulation

display_name: molecular-dynamics-simulation

sampling

display_name: sampling


en: We report a large-scale density-functional-theory study of the configuration space of water ice. We geometry optimise 74,963 ice structures, which are selected and constructed from over five million tetrahedral networks listed in the databases of Treacy and Deem, and the International Zeolite Association database. All prior knowledge of ice is set aside and we introduce generalised convex hulls to identify configurations stabilised by appropriate thermodynamic constraints. We thereby rediscover all known phases (I to XVII, i, 0 and the quartz phase) except the metastable ice IV. Crucially, we also find promising candidates for ices XVIII through LI. Using the sketch-map dimensionality-reduction algorithm we construct an a priori, navigable map of configuration space, which reproduces similarity relations between structures and highlights the novel candidates. By relating the known phases to the tractably small, yet structurally diverse set of synthesisable candidate structures, we provide an excellent starting point for identifying formation pathways.

en: Mapping uncharted territory in ice from zeolite networks to ice structures

database

display_name: database

dft

display_name: dft

first-principles

display_name: first-principles

high-throughput

display_name: high-throughput

ice

display_name: ice

three-dimensional

display_name: three-dimensional


en: The nature of the bulk hydrated electron has been a challenge for both experiment and theory due to its short lifetime and high reactivity, and the need for a high-level of electronic structure theory to achieve predictive accuracy. The lack of a classical atomistic structural formula makes it exceedingly difficult to model the solvated electron using conventional empirical force fields, which describe the system in terms of interactions between point particles associated with atomic nuclei. Here we overcome this problem using a machine-learning model, that is sufficiently flexible to describe the effect of the excess electron on the structure of the surrounding water, without including the electron in the model explicitly. The resulting potential is not only able to reproduce the stable cavity structure but also recovers the correct localization dynamics that follow the injection of an electron in neat water. The machine learning model achieves the accuracy of the state-of-the-art correlated wave function method it is trained on. It is sufficiently inexpensive to afford a full quantum statistical and dynamical description and allows us to achieve accurate determination of the structure, diffusion mechanisms, and vibrational spectroscopy of the solvated electron.

en: Simulating the ghost: quantum dynamics of the solvated electron

cscs

display_name: cscs

marvel

display_name: marvel

moller-plesset-perturbation-theory

display_name: moller-plesset-perturbation-theory

quantum-dynamics

display_name: quantum-dynamics

snsf

display_name: snsf

solvated-electron

display_name: solvated-electron


en: We introduce and discuss the phenomenon of adatom-induced surface local melting, using extensive first-principles molecular dynamics simulations of Al(100) taken as a paradigmatic case of a non-premelting surface that nevertheless displays facile adatom diffusion with single and multiple exchange pathways. Here, a single adatom deposited on the surface is sufficient to nucleate a localized and diffusing liquid-like region that remains confined to the surface layer, but with an area that increases with temperature; in the absence of the adatom, the surface instead remains crystalline until reaching the bulk melting temperature.

en: Adatom-Induced Local Melting

aluminum

display_name: aluminum

defects

display_name: defects

first-principles-molecular-dynamics

display_name: first-principles-molecular-dynamics

surface-melting

display_name: surface-melting


en:
We provide the input files needed to reproduce the results of the article

Toward GW Calculations on Thousands of Atoms
J. Wilhelm, D. Golze, L. Talirz, J. Hutter, C. A. Pignedoli
J. Phys. Chem. Lett.  9, 306–312 (2018) DOI:10.1021/acs.jpclett.7b02740

The GW approximation of many-body perturbation theory is an accurate method
for computing electron addition and removal energies of molecules and solids.
In a canonical implementation, however, its computational cost is  in the
system size N, which prohibits its application to many systems of interest.
We present a full-frequency GW algorithm in a Gaussian-type basis,
whose computational cost scales with N2 to N3.
The implementation is optimized for massively parallel execution on
state-of-the-art supercomputers and is suitable for nanostructures and molecules in the gas,
liquid or condensed phase, using either pseudopotentials or all electrons.
We validate the accuracy of the algorithm on the GW100 molecular test set,
finding mean absolute deviations of 35 meV for ionization potentials and 27 meV
for electron affinities. Furthermore, we study the length-dependence of quasiparticle
energies in armchair graphene nanoribbons of up to 1734 atoms in size, and compute the
local density of states across a nanoscale heterojunction.

abinitio

display_name: abinitio

graphene

display_name: graphene

gw

display_name: gw

high-performance-computing

display_name: high-performance-computing

nanoribbon

display_name: nanoribbon

scaling

display_name: scaling


en: In this work, we present a comprehensive dataset designed to facilitate the prediction of metal fatigue life using deep learning techniques. The dataset includes detailed experimental data from 40 different metallic materials, comprising a total of 1195 data points under 48 distinct loading paths. Each data point is stored in a CSV file, capturing the loading path as a time-series with axial and tangential stress or strain values.The primary purpose of this dataset is to support the development and validation of deep learning models aimed at accurately predicting the fatigue life of metals under various loading conditions. This dataset includes stress-controlled and strain-controlled data, ensuring a broad representation of experimental scenarios. Additionally, an Excel file accompanies the dataset, providing detailed mechanical properties of each material, such as elastic modulus, tensile strength, yield strength, and Poisson's ratio, along with references to the original experimental sources.This dataset is intended for researchers in materials science and mechanical engineering, offering a robust foundation for training and testing deep learning algorithms in fatigue analysis. By making this dataset publicly available, we aim to foster collaboration and further advancements in the field of metal fatigue prediction. Researchers are encouraged to utilize and contribute to the dataset, thereby enhancing its scope and applicability.

en: A deep learning dataset for metal multiaxial fatigue life prediction

deep-learning

display_name: deep-learning

fatigue-life-prediction

display_name: fatigue-life-prediction

metal-fatigue

display_name: metal-fatigue

multiaxial-fatigue

display_name: multiaxial-fatigue


en: Solid-state electrolytes for Li-ion batteries are attracting growing interest as they allow building safer batteries, also using lithium-metal anodes. Here, we studied a compound in the lithium superionic conductor (LISICON) family, i.e. Li₄₋ₓGe₁₋ₓPₓO₄ (LGPO). Thin films were deposited via pulsed laser deposition, and their electrical properties were compared to those of ceramic pellets. A detailed characterization of their microstructures shows that thin films can be deposited fully crystalline at higher temperatures but also partially amorphous at room temperature. The conductivity is not strongly influenced by the presence of grain boundaries, exposure to air, or lithium deficiencies. First-principles molecular dynamics simulations were employed to calculate the lithium-ion diffusion profile and the conductivity at various temperatures of the ideal LGPO crystal. Simulations give the upper limit of conductivity for a defect-free crystal, which is in the range of 10–2 S cm–1 at 300 °C. The ease of thin-film fabrication and room-temperature Li-ion conductivity in the range of a few μS cm–1 make LGPO a very appealing electrolyte material for thin-film all-solid-state all-oxide microbatteries.

en: Li₄₋ₓGe₁₋ₓPₓO₄, a potential solid-state electrolyte for all-oxide microbatteries

big-map

display_name: big-map

ionic-transport

display_name: ionic-transport

lgpo

display_name: lgpo

lisicon

display_name: lisicon

microbatteries

display_name: microbatteries

solid-state-electrolytes

display_name: solid-state-electrolytes

thin-films

display_name: thin-films


en:
Here we present 69,840 covalent organic frameworks (COFs) assembled in silico from a set of 666 distinct organic linkers into 2D-layered and 3D configurations. We investigate the feasibility of using these frameworks for methane storage by using grand-canonical Monte Carlo (GCMC) simulations to calculate their deliverable capacities (DCs). From these calculations, we predict that the best structure in the database is linker91_C_linker91_C_tbd, a structure composed of carbon-carbon bonded triazine linkers in the tbd topology. This structure has a predicted 65-bar DC of 216 v STP/v, greater than that of the best current methane storage material. We also predict other top performing materials, with 305 structures having DCs of over 190 v STP/v, and 34 of these having DCs of over 200 v STP/v.
This archive entry contains the database of assembled COF structures (in CIF file format) together with all of their properties, which can be explored using interactive figures. Among the calculated properties for each structure are the framework density, the methane heats of desorption at the storage and depletion pressures, the methane uptakes at the storage and deplation pressures, the supercell volume, and the geometric surface area. Structures are also labeled according to their bond types (amide, amine, imine, carbon-carbon, or mixed) and their dimensionalities (2D or 3D).

en: In Silico Design of 2D and 3D Covalent Organic Frameworks for Methane Storage Applications

cof

display_name: cof

covalent-organic-frameworks

display_name: covalent-organic-frameworks

database

display_name: database

dc

display_name: dc

deliverable-capacities

display_name: deliverable-capacities

gcmc

display_name: gcmc

grand-canonical-monte-carlo

display_name: grand-canonical-monte-carlo

high-throughput

display_name: high-throughput

layered

display_name: layered

marvel

display_name: marvel

methane-storage

display_name: methane-storage

nanoporous

display_name: nanoporous

three-dimensional

display_name: three-dimensional

two-dimensional

display_name: two-dimensional


the-geometric-blueprint-of-perovskites

en: Perovskite minerals form an essential component of the Earth's mantle, and synthetic crystals are ubiquitous in electronics, photonics, and energy technology. The extraordinary chemical diversity of these crystals raises the question of how many and which perovskites are yet to be discovered. Here we show that the "no-rattling" principle postulated by Goldschmidt in 1926, describing the geometric conditions under which a perovskite can form, is much more effective than previously thought and allows us to predict perovskites with a fidelity of 80%. By supplementing this principle with inferential statistics and internet data mining we establish that currently known perovskites are only the tip of the iceberg, and we enumerate 90,000 hitherto-unknown compounds awaiting to be studied. Our results suggest that geometric blueprints may enable the systematic screening of millions of compounds and offer untapped opportunities in structure prediction and materials design.

en: The geometric blueprint of perovskites

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: Materials Cloud

title_for_slug: the-geometric-blueprint-of-perovskites

data-mining

display_name: data-mining

goldschmidt

display_name: goldschmidt

perovskites

display_name: perovskites

structure-predictions

display_name: structure-predictions


en: We report a methodology using machine learning to capture chemical intuition from a set of (partially) failed attempts to synthesize a metal organic framework. We define chemical intuition as the collection of unwritten guidelines used by synthetic chemists to find the right synthesis conditions. As (partially) failed experiments usually remain unreported, we have reconstructed a typical track of failed experiments in a successful search for finding the optimal synthesis conditions that yields HKUST-1 with the highest surface area reported to date. We illustrate the importance of quantifying this chemical intuition for the synthesis of novel materials.

en: Capturing chemical intuition in synthesis of metal-organic frameworks

envi

en: Environment

genetic-algorithms

display_name: genetic-algorithms

machine-learning

display_name: machine-learning

metal-organic-frameworks

display_name: metal-organic-frameworks

optimisation

display_name: optimisation

robotic-synthesi

display_name: robotic-synthesi

synthesis

display_name: synthesis


en: Biomolecular simulations are computationally expensive. This limits their application in drug or protein design and related fields. Several methods have been developed to address this problem. These methods often use an artificial force or potential acting on selected degrees of freedom known as collective variables. This requires explicit calculation of a collective variable (and its derivatives) from molecular structure. For collective variables that cannot be calculated explicitly or such calculations is slow we developed anncolvar package (https://github.com/spiwokv/anncolvar). This package approximates collective variables using artificial neural networks. It was tested on Isomap low dimensional representation of cyclooctane derivative or solvent-accessible surface area of Trp-cage miniprotein.

en: Approximation of Collective Variables by anncolvar

artificial-neural-networks

display_name: artificial-neural-networks

collective-variable

display_name: collective-variable

metadynamics

display_name: metadynamics


en:
Project Abstract: For applications of metal-organic frameworks (MOFs) such as gas storage and separation, flexibility is often seen as a parameter that can tune material performance. In this work we aim to determine the optimal flexibility for the shape selective separation of similarly sized molecules (e.g., Xe/Kr mixtures). To obtain systematic insight into how the flexibility impacts this type of separation we develop a simple analytical model that predicts a material's Henry regime adsorption and selectivity as a function of flexibility. We elucidate the complex dependence of selectivity on a framework's intrinsic flexibility whereby performance is either improved or reduced with increasing flexibility, depending on the material's pore size characteristics. However, the selectivity of a material with the pore size and chemistry that already maximizes selectivity in the rigid approximation is continuously diminished with increasing flexibility, demonstrating that the globally optimal separation exists within an entirely rigid pore. Molecular simulations show that our simple model predicts performance trends that are observed when screening the adsorption behavior of flexible MOFs. These flexible simulations provide better agreement with experimental adsorption data in a high performance material that is not captured when modeling this framework as rigid, an approximation typically made in high-throughput screening studies. We conclude that, for shape selective adsorption applications, the globally optimal material will have the optimal pore size/chemistry and minimal intrinsic flexibility even though other non-optimal materials' selectivity can actually be improved by flexibility. Equally important, we find that flexible simulations can be critical for correctly modeling adsorption in these types of systems.

About this entry: You can find the Xe/Kr Henry coefficients and the infinite dilution selectivity of more than 2000 CoRE MOF structures obtained via computational screening when materials are simulated as both flexible and rigid.  For details about the methods used to obtain these results, please see the corresponding paper (DOI: 10.1021/jacs.7b01688).  The data provided here was used to create the scatter plots presented in the original paper and can be used to find the adsorption properties for any material in the CoRE MOF screening.

Version 2 includes a minor formatting correction to make the CIF files compliant with the CIF standard.

en: The Influence of Intrinsic Framework Flexibility on Adsorption in Nanoporous Materials (Data Download)

flexibility

display_name: flexibility

nanoporous-materials

display_name: nanoporous-materials

xekr-separations

display_name: xekr-separations


en: Biomolecular simulations are computationally expensive. This limits their application in protein folding simulations, protein engineering, drug design and related fields. Enhanced sampling techniques such as metadynamics accelerates slow events in molecular simulation. This and other method apply artificial forces in directions of collective degrees of freedom (aka collective variables). Path collective variables and Property Map collective variables are defined using a series of reference structures of the studied molecular system. They require a huge number of mean square deviation calculations along the simulation. Close Structure algorithm reduces the number of these operations.

en: Reducing the Number of Mean-Square Deviation Calculations with Floating Close Structure in Metadynamics

mean-square-deviation

display_name: mean-square-deviation


en: Zeolite-templated carbons (ZTCs) comprise a relatively recent material class synthesized via the chemical vapor deposition of a carbon-containing precursor on a zeolite template, followed by the removal of the template. We have developed a theoretical framework to generate a ZTC model from any given zeolite structure, which we show can successfully predict the structure of known ZTCs. We use our method to generate a library of ZTCs from all known zeolites, to establish criteria for which zeolites can produce experimentally accessible ZTCs, and to identify over 10 ZTCs that have never before been synthesized. We show that ZTCs partition space into two disjoint labyrinths that can be described by a pair of interpenetrating nets. Since such a pair of nets also describes a triply periodic minimal surface (TPMS), our results establish the relationship between ZTCs and schwarzites—carbon materials with negative Gaussian curvature that resemble TPMSs—linking the research topics and demonstrating that schwarzites should no longer be thought of as purely hypothetical materials.

en: Generating carbon schwarzites via zeolite-templating

carbon-materials

display_name: carbon-materials

marvel

display_name: marvel

schwarzites

display_name: schwarzites

tpms

display_name: tpms

ztc

display_name: ztc


en: The application of modern machine learning to challenges in atomistic simulation is gaining attraction. We present new machine learning models that can predict the energy of the oxidative addition process between a transition metal complex and a substrate for C-C cross-coupling reaction. In turn, this quantity can be used as a descriptor to estimate the activity of homogeneous catalysts using molecular volcano plots. The versatility of this approach is illustrated for vast libraries of organometallic catalysts based on Pt, Pd, Ni, Cu, Ag, and Au combined with 91 ligands. Out-of-sample machine learning predictions were made on a total of 18,062 compounds leading to 557 catalyst candidates falling into the ideal thermodynamic window. This number was further refined by searching for candidates with an estimated price lower than 10 US$/mmol. The 37 catalyst finalists are dominated by palladium phosphine ligand combinations but also include earth abundant (Cu) transition metal with less common ligands. Our results indicate that modern statistical learning techniques can be applied to the computational discovery of readily available and promising catalyst candidates.

en: Machine learning meets volcano plots: Computational discovery of cross-coupling catalysts

homogeneous-catalysis

display_name: homogeneous-catalysis

machine-learning

display_name: machine-learning

transition-metal-complexes

display_name: transition-metal-complexes

volcano-plot

display_name: volcano-plot


en:
Classical turning surfaces of Kohn-Sham potentials separate classically-allowed regions (CARs) from classically-forbidden regions (CFRs). They are useful for understanding many chemical properties of molecules, but need not exist in solids, where the density never decays to zero. At equilibrium geometries, we find that CFRs are absent in perfect metals, rare in covalent semiconductors at equilibrium, but common in ionic and molecular crystals. In all materials, CFRs appear or grow as the internuclear distances are uniformly expanded. They can also appear at a monovacancy in a metal. Calculations with several approximate density functionals and codes confirm these behaviors. A classical picture of conduction suggests that CARs should be connected in metals, and disconnected in wide-gap insulators, and is confirmed in the limits of extreme compression and expansion. Surprisingly, many semiconductors have no CFR at equilibrium, a key finding for density functional construction. Nonetheless, a strong correlation with insulating behavior can still be inferred. Moreover, equilibrium bond lengths for all cases can be estimated from the bond type and the sum of the classical turning radii of the free atoms or ions.

This record contains machine readable data for this work

en: Calculation and interpretation of classical turning surfaces in solids

density-functional-theory

display_name: density-functional-theory

dft

display_name: dft

kohn-sham-potential

display_name: kohn-sham-potential

turning-surface

display_name: turning-surface


en:
We provide the input files to reproduce the data presented in the work:
Hidden Beneath the Surface: Origin of the Observed Enantioselective Adsorption on PdGa(111)
The files are subdivided in directories named after the figures/table of the manuscript
A. V. Yakutovich, J. Hoja, D. Passerone, Alexandre Tkatchenko, C. A. Pignedoli
J. Am. Chem. Soc., 140, 1401-1408 (2018) DOI: 10.1021/jacs.7b10980
In the work, we unravel the origin of the recently observed striking enantioselectivity of the PdGa(111) surface with respect to the adsorption of a small organic molecule, 9-ethynylphenanthrene, using first-principles calculations. It turns out that the key ingredient to understand the experimental evidence is the appropriate description of van der Waals interactions beyond the widely employed atomic pairwise approximation. A recently developed van der Waals-inclusive density functional method, which encompasses dielectric screening effects, reveals the origin of the experimentally observed enantioselectivity and provides conclusive evidence of chiral recognition on a bimetallic surface driven by dispersion interactions.

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).

chirality

display_name: chirality

many-body-dispersion

display_name: many-body-dispersion

pdga

display_name: pdga


en:
Fast-charging batteries typically employ electrodes capable of accommodating lithium continuously via solid-solution transformation because they have few kinetic barriers apart from Li+ diffusion. One exception is lithium titanate, an anode that exhibits extraordinary rate capability seemingly inconsistent with its two-phase reaction and slow diffusion within the two phases. Through real-time tracking of Li+ migration using operando electron energy-loss spectroscopy (EELS) along with simulation of the EELS spectra, we observe that the kinetic pathway that enables facile ionic transport in lithium titanate consists of distorted Li polyhedra in metastable intermediate states. Thus, fast-charging electrodes may not be controlled solely by the intrinsic ionic diffusivity of macroscopic phases, but also by the transport via kinetically accessible low-energy landscapes.

In order to understand the origin of various EELS spectra features, we simulate EELS spectra using the Vienna Ab initio Simulation (VASP) package. For a specific Li in a given configuration, this is done by calculating the DOS and integrated DOS considering a Li core-hole on the position of the specific Li and calculating the EELS based on the DOS. We also calculated the minimum energy paths (MEP) and migration energy of Li in various compositions, including Li4Ti5O12 with an additional Li carrier, Li5Ti5O12 with an additional Li carrier, and Li7Ti5O12 with a Li vacancy carrier. The calculation was performed using the nudged elastic band (NEB) method in VASP. Analysis of the VASP outputs was done using scripts from Transition State Tools for VASP (VTST, https://theory.cm.utexas.edu/vtsttools/index.html). We present here the relevant input and output files from the VASP calculations, the python code used to generate EELS spectra from VASP outputs, and the outputs of the VTST scripts that were used to generate MEP plots.

en: Kinetic Pathways of Ionic Transport in Fast Charging Lithium Titanate

materialscloud

en: Materials Cloud

ionic-transport

display_name: ionic-transport

nudged-elastic-band

display_name: nudged-elastic-band

vasp

display_name: vasp


en: The study of organic molecular crystals under high pressure provides fundamental insight into crystal packing distortions and reveals mechanisms of phase transitions and the crystallization of polymorphs. These solid state transformations can be monitored directly by analyzing electron charge densities that are experimentally obtained at high pressure. However, restricting the analysis to the featureless electron density does not reveal the chemical bonding nature and the existence of intermolecular interactions. This shortcoming can be resolved by the use of the DORI (Density Overlap Region Indicator) descriptor, which is capable of detecting simultaneously both covalent patterns and non-covalent interactions from electron density and its derivatives. Using the biscarbonyl[14]annulene crystal under pressure as an example, we demonstrate how DORI can be exploited on experimental electron densities to reveal and monitor changes in electronic structure patterns resulting from molecular compression. A novel approach based on a flood fill type algorithm is proposed for analyzing the topology of the DORI isosurface. This approach avoids the arbitrarily selection of DORI isovalues and provides an intuitive way to assess how compression packing affects covalent bonding in organic solids.

en: DORI reveals the influence of non-covalent interactions on covalent bonding patterns in molecular crystals under pressure

envi

en: Environment

high-pressure

display_name: high-pressure

molecular-scalar-fields

display_name: molecular-scalar-fields

organic-crystals

display_name: organic-crystals

topology

display_name: topology


en: Ice nucleation is a process of great relevance in physics, chemistry, technology, and environmental sciences; much theoretical effort has been devoted to its understanding, but it still remains a topic of intense research. We shed light on this phenomenon by performing atomistic based simulations. Using metadynamics and a carefully designed set of collective variables, reversible transitions between water and ice are able to be simulated. We find that water freezes into a stacking disordered structure with the all-atom transferable intermolecular potential with 4 points/ice (TIP4P/ice) model, and the features of the critical nucleus of nucleation at the microscopic level are revealed. We have also estimated the ice nucleation rates along with other nucleation parameters at different undercoolings. Our results are in agreement with recent experimental and other theoretical works, and they confirm that nucleation is preceded by a large increase in tetrahedrally coordinated water molecules.

en: Temperature Dependence of Homogeneous Nucleation in Ice

enhanced-sampling

display_name: enhanced-sampling

erc

display_name: erc

homegenous-nucleation

display_name: homegenous-nucleation

ice

display_name: ice

marvel

display_name: marvel

metadynamics

display_name: metadynamics

molecular-dynamics

display_name: molecular-dynamics

plumed

display_name: plumed


en: We describe a double helical conformation in the densely charged aromatic polyamide poly(2,2'- disulfonyl-4,4'-benzidine terephthalamide) or PBDT. This double helix macromolecule represents one of the most rigid simple molecular structures known, exhibiting an extremely high axial persistence length (~ 1 micrometer).

en: Double helix PBDT polymer - Submitted manuscript, simulations and other source data

ionic

display_name: ionic

nematic

display_name: nematic

nmr

display_name: nmr

polymer

display_name: polymer

simulations

display_name: simulations

x-ray

display_name: x-ray


en: We present a derivation of the exact expression for Pulay forces in density-functional theory calculations augmented with extended Hubbard functionals, and arising from the use of orthogonalized atomic orbitals as projectors for the Hubbard manifold. The derivative of the inverse square root of the orbital overlap matrix is obtained as a closed-form solution of the associated Lyapunov (Sylvester) equation. The expression for the resulting contribution to the forces is presented in the framework of ultrasoft pseudopotentials and the projector-augmented-wave method, and using a plane wave basis set. We have benchmarked the present implementation with respect to finite differences of total energies for the case of NiO, finding excellent agreement. Owing to the accuracy of Hubbard-corrected density-functional theory calculations - provided the Hubbard parameters are computed for the manifold under consideration - the present work paves the way for systematic studies of solid-state and molecular transition-metal and rare-earth compounds.

en: Pulay forces in density-functional theory with extended Hubbard functionals: from nonorthogonalized to orthogonalized manifolds

cscs

display_name: cscs

density-functional-theory

display_name: density-functional-theory

dftu

display_name: dftu

dftuv

display_name: dftuv

hubbard-corrections

display_name: hubbard-corrections

hubbard-forces

display_name: hubbard-forces

hubbard-manifold

display_name: hubbard-manifold

hubbard-parameters

display_name: hubbard-parameters

lowdin-orthogonalization-method

display_name: lowdin-orthogonalization-method

lyapunov-equation

display_name: lyapunov-equation

orbital-overlap-matrix

display_name: orbital-overlap-matrix

pulay-forces

display_name: pulay-forces

self-interaction-corrections

display_name: self-interaction-corrections

sylvester-equation

display_name: sylvester-equation


en:
Thermodynamic properties of liquid water as well as hexagonal (Ih) and cubic (Ic) ice are predicted based on density functional theory at the hybrid-functional level, rigorously taking into account quantum nuclear motion, anharmonic fluctuations and proton disorder. This is made possible by combining advanced free energy methods and state-of-the-art machine learning techniques. The ab initio description leads to structural properties in excellent agreement with experiments, and reliable estimates of the melting points of light and heavy water. We observe that nuclear quantum effects contribute a crucial 0.2 meV/H2O to the stability of ice Ih, making it more stable than ice Ic. Our computational approach is general and transferable, providing a comprehensive framework for quantitative predictions of ab initio thermodynamic properties using machine learning potentials as an intermediate step.

In this set of supplemental materials, we have included the neural network potential for bulk water, including its training set in two different formats. We have also included the input files for running free energy calculations.

en: Ab initio thermodynamics of liquid and solid water: supplemental materials

free-energy-calculation-input-files

display_name: free-energy-calculation-input-files

machine-learning-potential

display_name: machine-learning-potential

machine-learning-potential-training-set

display_name: machine-learning-potential-training-set


en: We present a large dataset of adsorption of H, C, N, O and S onto more than 2,000 metallic and bimetallic alloy surfaces, consisting of approximately 90,000 DFT calculations performed in Quantum Espresso. The alloys are constructed from all possible combinations of 37 metals into AB and A3B stoichiometries, in the L1_0 and L1_2 structures respectively, where the 37 metals in the A1 structure are included as well. Slabs are cleaved along the 111 facet for A1 and L1_2 and along the 101 facet for L1_0, and all possible adsorption sites are sampled. In addition to the monoatomic adsorbates, adsorption of CH, CH2, CH3, NH, NH2, OH, H2O and SH  is sampled for a smaller subset of alloys.

en: High-throughput calculations of catalytic properties of bimetallic alloy surfaces

chemisorption

display_name: chemisorption

dft

display_name: dft

heterogeneous-catalysis

display_name: heterogeneous-catalysis

surfaces

display_name: surfaces


dopant-discovery-in-cuprous-iodide

en: Computational data to support an extensive study of prospective dopants in the zinc blende (gamma) phase of cuprous iodide. This phase of CuI holds the current record hole conductivity for intrinsic transparent p-type semiconductors. In the corresponding scientific article, a high-throughput approach was employed to systematically explore strategies for enhancing CuI further by impurity incorporation. Our objectives were to identify a practical approach for increasing hole conductivity in CuI thin films and to explore the possibility for ambivalent doping. A total of 64 chemical elements was investigated. This materials cloud record contains all optimized defective structures for Cu and I substitutional sites, calculation settings and some of the output (LOCPOT files, required for electrostatic correction calculations are not included due to their large size).  Chalcogen elements were found to display acceptor character when substituting iodine. Further eight impurities suitable for n-type doping were also discovered. Unfortunately, our work further revealed that donor doping is hindered by compensating native defects.

en: Dopant discovery in cuprous iodide

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).

title_for_slug: dopant-discovery-in-cuprous-iodide

cui

display_name: cui

defects

display_name: defects

dopants

display_name: dopants

supercell

display_name: supercell

transparent-conductors

display_name: transparent-conductors


en: This is a LAMMPS readable EAM type potential file for Hf-Nb-Ta-Zr based high-entropy alloys (HEAs). In this potential file the elements are sequenced as Hf, Nb, Ta and Zr, respectively. This potential was previously used to model the HEA for the local lattice distortions due to short-range order clustering found in the alloy after long-term annealing at high-temperature. The input to build this potential is based on the physical properties of pure elements such as the lattice parameter, cohesive energy, elastic constants etc and the details are discussed in the associated reference. Units used are in eV/atom for energy and Angstrom for distance.

en: EAM potential for Hf-Nb-Ta-Zr high-entropy alloy

materialscloud

en: Materials Cloud

eam-potential

display_name: eam-potential

high-entropy-alloys

display_name: high-entropy-alloys

lammps

display_name: lammps

refractory-elements

display_name: refractory-elements


en: Zethrenes are model diradicaloids with potential applications in spintronics and optoelectronics. Despite a rich chemistry in solution, on-surface synthesis of zethrenes has never been demonstrated. This record contains data to support our recent publication where we report the on-surface synthesis of super-heptazethrene on Au(111). Scanning tunneling spectroscopy investigations reveal that super-heptazethrene exhibits an exceedingly low HOMO–LUMO gap of 230 meV and, in contrast to its open-shell singlet ground state in the solution phase and in the solid-state, likely adopts a closed-shell ground state on Au(111).

en: On-surface synthesis of super-heptazethrene

envi

en: Environment

ab-initio

display_name: ab-initio

cscs

display_name: cscs

diradicaloid

display_name: diradicaloid

erc

display_name: erc

on-surface-synthesis

display_name: on-surface-synthesis

snsf

display_name: snsf


en: Two-dimensional transition metal dichalcogenides (TMDs) of Mo and W in their 1T′ crystalline phase host the quantum spin Hall (QSH) insulator phase. We address the electronic properties of the QSH edge states by means of first-principles calculations performed on realistic models of edge terminations of different stoichiometries. The QSH edge states show a tendency to have complex band dispersions and coexist with topologically trivial edge states. We nevertheless identify two stable edge terminations that allow isolation of a pair of helical edge states within the band gap of TMDs, with monolayer 1T′-WSe2 being the most promising material. We also characterize the finite-size effects in the electronic structure of 1T′-WSe2 nanoribbons. Our results provide guidance to the experimental studies and possible practical applications of QSH edge states in monolayer 1T′-TMDs.

en: Controlling the quantum spin Hall edge states in two-dimensional transition metal dichalcogenides

edge-states

display_name: edge-states

epfl

display_name: epfl

marvel

display_name: marvel

quantum-spin-hall-effect

display_name: quantum-spin-hall-effect

topological-insulators

display_name: topological-insulators

transition-metal-dichalcogenides

display_name: transition-metal-dichalcogenides


en: We propose a general method to calculate the average misfit volumes of atoms in any random alloy via DFT calculations. The method is validated with an example of a 6-component equi-composition high entropy alloy. The special quasi-random structures (SQSs) used in our work are reported here.

en: Special quasi-random structures for the 6-component high entropy alloys

misfit-volumes

display_name: misfit-volumes

random-alloys

display_name: random-alloys

special-quasi-random-structures-sqss

display_name: special-quasi-random-structures-sqss


en: Metal-Organic Frameworks (MOFs) are highly versatile materials owing to their vast structural and chemical tunability. These hybrid inorganic-organic crystalline materials offer an ideal platform to incorporate light-harvesting and catalytic centers and thus, exhibit a great potential to be exploited in solar-driven photocatalytic processes such as H2 production and CO2 reduction. To be photocatalytically active, UV-visible optical absorption and appropriate band alignment with respect to the target redox potential is required. Despite fulfilling these criteria, the photocatalytic performance of MOFs is still limited by their ability to produce long-lived electron-hole pairs and long-range charge transport. In this work, we present a computational strategy to address these two descriptors in MOF structures and translate them into charge transfer numbers and effective mass values. We apply our approach to 15 MOF structures from the literature that encompass the main strategies used in the design of efficient photocatalysts including different metals, ligands, and topologies. Our results capture the main characteristics previously reported for these MOFs and enable us to identify promising candidates. In the quest of novel photocatalytic systems, high-throughput screening based on charge separation and charge mobility features is envisioned to be applied in large databases of both experimentally and in silico generated MOFs.

en: Charge separation and charge carrier mobility in photocatalytic metal-organic frameworks

charge-transfer

display_name: charge-transfer

mof

display_name: mof

photocatalysis

display_name: photocatalysis


en: The leucine-lysine amphiphilic peptide LKα14 has been used to study fundamental driving forces in processes such as peptide-surface binding and biomineralization. Here, we employ molecular dynamics (MD) simulations in tandem with replica exchange metadynamics to probe the binding mechanism and thermodynamics of LKα14 on silica. We also investigate the effect that the nature of the silica surface – crystalline vs. amorphous, has on the binding properties and peptide-surface conformations. We find that water adsorbs differently on both surfaces; it forms a denser interfacial layer on the crystalline surface, compared to the amorphous surface. This causes the peptide to bind more strongly on the amorphous surface than the crystalline surface. Cluster analysis shows that the peptide adopts a helical conformation at both surfaces, with a greater distribution of states on the crystalline surface. Peptide binding is primarily through lysine interactions, in line with prior experimental results.

en: Amphiphilic Peptide Binding on Crystalline vs. Amorphous Silica from Molecular Dynamics Simulations

enhanced-sampling

display_name: enhanced-sampling

molecular-dynamics-simulations

display_name: molecular-dynamics-simulations

peptide-surface-interactions

display_name: peptide-surface-interactions


en: The most successful and popular machine learning models of atomic-scale properties derive their transferability from a locality ansatz. The properties of a large molecule or a bulk material are written as a sum over contributions that depend on the configurations within finite atom-centered environments. The obvious downside of this approach is that it cannot capture nonlocal, nonadditive effects such as those arising due to long-range electrostatics or quantum interference. We propose a solution to this problem by introducing nonlocal representations of the system, which are remapped as feature vectors that are defined locally and are equivariant in O(3). We consider, in particular, one form that has the same asymptotic behavior as the electrostatic potential. We demonstrate that this framework can capture nonlocal, long-range physics by building a model for the electrostatic energy of randomly distributed point-charges, for the unrelaxed binding curves of charged organic molecular dimers, and for the electronic dielectric response of liquid water. By combining a representation of the system that is sensitive to long-range correlations with the transferability of an atom-centered additive model, this method outperforms current state-of-the-art machine-learning schemes and provides a conceptual framework to incorporate nonlocal physics into atomistic machine learning.

en: Incorporating long-range physics in atomic-scale machine learning

erc

display_name: erc

long-range-interactions

display_name: long-range-interactions

machine-learning

display_name: machine-learning