cff-version: 1.2.0
abstract: "<p>This dataset contains detailed information on the structures studied in the following paper: "Global optimization of extraframework ensembles in zeolites: on the structure of extra-framework aluminium species in MOR and MFI zeolites". Our data include the computational results of the genetic algorithm runs conducted for each configuration and figures presented in the manuscript.</p>"
authors:
  - family-names: Khramenkova
    given-names: Elena
    orcid: "https://orcid.org/0000-0002-4060-1615"
  - family-names: Venkatraman
    given-names: Harshini
    orcid: "https://orcid.org/0000-0003-2762-0384"
  - family-names: Soethout
    given-names: Victor
    orcid: "https://orcid.org/0000-0001-6694-9102"
  - family-names: Pidko
    given-names: Evgeny
    orcid: "https://orcid.org/0000-0001-9242-9901"
title: "Data underlying the publication: Global optimization of extraframework ensembles in zeolites: on the structure of extra-framework aluminum species in MOR and MFI zeolites."
keywords:
version: 1
identifiers:
  - type: doi
    value: 10.4121/21400845.v1
license: CC0
date-released: 2022-10-27