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ORCHID

Version 1, machine-extracted: values were read by language-model readers constrained to quote their source and checked automatically, and the release was then audited on the printed pages by adversarial audits, an independent second review of fit-facing records and a preliminary human review of a frozen sample. Flags such as accepted and ESPEI-ready record screening results, not certification; known issues are listed in the release notes.

Phase registry

Dataset ORCHID-Registry. One entry per phase of each binary system: every name it goes by (CALPHAD databases, papers, Materials Project and OQMD), the models that describe it, where the calculated diagrams make it stable, and example references. A crystal structure is shown when it is certain: from a standard phase name (tier A) or from a unique, agreeing Materials Project + OQMD ground state (tier B, "DFT-supported"); or when the assessment's own crystallographic table states exactly one consistent structure (tier C, "assessor-stated"). Everything else is listed with its candidates for review. Each CALPHAD model shows its definition exactly as written in the TDB file.

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SystemPhaseStructureBasisValues

Select a phase to see its names, structure, models, stability and references.

Structure rule (PI decision): a prototype is assigned only when the stored evidence supports an assignment under the stated tier rules. Tier A: the phase name encodes one structure (e.g. FCC_A1, BCC_B2, L12_FCC, AL3NI_D011, C15_LAVES, SIGMA) and neither the model stoichiometry, the SGTE crystallographic table nor DFT contradicts it. Tier B: a stoichiometric compound whose composition matches exactly one on-hull entry in both Materials Project and OQMD, with the same space group and one structure type for that space group and stoichiometry. Tier C (assessor-stated, approved by the PI): the SGTE crystallographic table (Hallstedt 2025, mmc2; CC BY 4.0) lists exactly one structure for this phase name in this system, tiers A/B do not contradict it, and the TDB model matches the listed compound; phases whose rows disagree stay in review. DFT entries are computed 0 K structures, not the CALPHAD phase itself. Files: registry.json (compact index; full records with TDB definitions and references per system in phases/systems/<SYS>.json), registry.csv, JSON-LD, structure types, review queue, conflicts, schema; static page per system (no JavaScript): phases/pages/.

Please cite

Also cite B. Hallstedt, The SGTE collection of binary datasets, Calphad 89 (2025) 102833, https://doi.org/10.1016/j.calphad.2025.102833 (CC BY 4.0), and the original assessment named in each file; A. Jain et al., The Materials Project: A materials genome approach to accelerating materials innovation, APL Materials 1 (2013) 011002, https://doi.org/10.1063/1.4812323 (CC BY 4.0); J. E. Saal et al., JOM 65 (2013) 1501, https://doi.org/10.1007/s11837-013-0755-4 and S. Kirklin et al., npj Comput. Mater. 1 (2015) 15010, https://doi.org/10.1038/npjcompumats.2015.10 (CC BY 4.0); the original source of every value you use (paper_citation / paper_doi, and cited_dois for values the paper cites from earlier work).

@misc{orchid_phase_registry_2026,
  author    = {Arr{\'o}yave, Raymundo and Saal, James and Shin, Dongwon},
  title     = {{ORCHID-Registry: phase registry of binary systems}},
  version   = {2026.10},
  publisher = {Zenodo},
  year      = {2026},
  doi       = {10.5281/zenodo.23735970},
  url       = {https://doi.org/10.5281/zenodo.23735970},
  note      = {Version 1, machine-extracted}
}

@misc{orchid_data_2026,
  author    = {Arr{\'o}yave, Raymundo and Saal, James and Shin, Dongwon},
  title     = {{ORCHID data: umbrella record of the ORCHID datasets}},
  version   = {2026.10},
  publisher = {Zenodo},
  year      = {2026},
  doi       = {10.5281/zenodo.23736065},
  url       = {https://doi.org/10.5281/zenodo.23736065},
  note      = {Version 1, machine-extracted}
}

Phase registry: CC BY 4.0 (facts and citations; cite ORCHID and the sources). TDB files: SGTE binary collection (Hallstedt 2025, CC BY 4.0); Materials Project and OQMD: CC BY 4.0, see NOTICE. Built by tools/build_phase_registry.py.