The Perovskite Atlas collects the structural research on perovskite-type oxides carried out at the Physics Department of the University of the Basque Country (UPV/EHU) under Josu M. Igartua: four doctoral theses (Milen Gateshki 2003, Abdessamad Faik 2009, Edurne Iturbe-Zabalo 2012, Brahim Orayech 2015), the articles that came from them, and the original diffraction, refinement and mode-analysis files.
Every record is a plain-text file in a public git repository. Structures carry a cell, atomic positions, a CIF, the refinement that produced them and, when performed, the symmetry-mode decomposition with its parent structure and transformation. Every value carries a locator to the document, page and table or figure it was read from. A pipeline validates the records, recomputes what can be recomputed (cell volumes, tolerance factors, bond lengths, bond-valence sums, mode decompositions) and compares it with what was reported. The database, the downloads and this website are generated from the records.
Design and method: see the repository README.md, CONVENTIONS.md and the decision records under docs/adr/.
Every refined structure, mode decomposition and geometry finding is also exported as a fer document (Framework for Experimental Results: Gabirondo-López, González de Arrieta, Arredondo, López, Anhalt, Igartua, IEEE Trans. Instrum. Meas. 74, 2025). The export follows the protocol in docs/FER_MIGRATION.md: records untouched, deterministic ids, crystallographic uncertainties parsed as standard uncertainties, unreported ones flagged, evidence carried in an atlas extension, every document validated against the fer schema. The fer view renders those documents on their own, without reading the records, and links back to the atlas page each came from.
Curves (cell parameters, mode amplitudes, moments versus temperature or composition) are records with their own evidence and a point_status saying whether the points were read from a table, digitised from a figure or rebuilt from the original refinement files. Each material page plots its curves with the phase transitions drawn; Add to comparison collects curves from any page into the comparison plot, which can also be opened from a link listing the curves. Design notes: docs/PLOTS.md.
Phase 0, foundations. See ROADMAP.md in the repository.