{"artifacts":{"doi:10.1016/j.calphad.2006.08.006/p2/text-05":{"artifact":"text_passage","label":"page 2, passage 5","page":2},"doi:10.1016/j.calphad.2006.08.006/p7/tab-7":{"artifact":"table","caption":"First-principles calculation results of β-Hf special quasirandom structures","label":"7","page":7},"doi:10.1016/j.calphad.2006.08.006/p8/text-05":{"artifact":"text_passage","label":"page 8, passage 5","page":8},"sha256:153049350e51b7d8/p3/tab-1":{"artifact":"table","caption":"First-principles calculation results of pure elements, hypothetical compounds (α, β-Hf), and stable compounds (HfO 2 , SiO 2 , and HfSiO 4 )","label":"1","page":3}},"cite_as":{"also_cite":["the original source of every value you use (paper_citation / paper_doi, and cited_dois for values the paper cites from earlier work)"],"bibtex":"@misc{orchid_literature_2026,\n  author    = {Arr{\\'o}yave, Raymundo and Saal, James and Shin, Dongwon},\n  title     = {{ORCHID-Values: thermodynamic and phase-equilibrium values read from the literature}},\n  version   = {2026.10},\n  publisher = {Zenodo},\n  year      = {2026},\n  doi       = {10.5281/zenodo.23735569},\n  url       = {https://doi.org/10.5281/zenodo.23735569},\n  note      = {Version 1, machine-extracted}\n}","dataset":"literature","doi":"10.5281/zenodo.23735569","license":"CC-BY-4.0","part_of":{"bibtex":"@misc{orchid_data_2026,\n  author    = {Arr{\\'o}yave, Raymundo and Saal, James and Shin, Dongwon},\n  title     = {{ORCHID data: umbrella record of the ORCHID datasets}},\n  version   = {2026.10},\n  publisher = {Zenodo},\n  year      = {2026},\n  doi       = {10.5281/zenodo.23736065},\n  url       = {https://doi.org/10.5281/zenodo.23736065},\n  note      = {Version 1, machine-extracted}\n}","doi":"10.5281/zenodo.23736065","text":"R. Arróyave, J. Saal, D. Shin, ORCHID data: umbrella record of the ORCHID datasets (version 2026.10; Version 1, machine-extracted), Zenodo (2026). https://doi.org/10.5281/zenodo.23736065","title":"ORCHID data: umbrella record of the ORCHID datasets","url":"https://doi.org/10.5281/zenodo.23736065"},"release_tag":"v2026.10","status":"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.","text":"R. Arróyave, J. Saal, D. Shin, ORCHID-Values: thermodynamic and phase-equilibrium values read from the literature (version 2026.10; Version 1, machine-extracted), Zenodo (2026). https://doi.org/10.5281/zenodo.23735569","title":"ORCHID-Values: thermodynamic and phase-equilibrium values read from the literature","url":"https://doi.org/10.5281/zenodo.23735569","version":"2026.10"},"contexts":{},"elements":["HF","O"],"licence":"CC BY 4.0 (ORCHID data; quotes are short excerpts kept for verification, the publishers' copyright, not relicensed)","models":{},"note":"records[].locator.ref -> artifacts; records[].model -> models (full records: orchid-literature.jsonl.gz)","papers":{"doi:10.1016/0022-5088(63)90045-6":{"authors":["E. Rudy","P. Stecher"],"citation":"E. Rudy, P. Stecher, Zum aufbau des systems hafnium-sauerstoff, Journal of the Less Common Metals 5, 78-89 (1963).","container":"Journal of the Less Common Metals","doi":"10.1016/0022-5088(63)90045-6","doi_url":"https://doi.org/10.1016/0022-5088(63)90045-6","id":"doi:10.1016/0022-5088(63)90045-6","kind":"cited_work","metadata_source":"crossref","roles":["cited_source"],"source_kinds":["cited_work"],"title":"Zum aufbau des systems hafnium-sauerstoff","year":1963},"doi:10.1016/j.calphad.2006.08.006":{"authors":["Dongwon Shin","Raymundo Arróyave","Zi-Kui Liu"],"citation":"Dongwon Shin, Raymundo Arróyave, Zi-Kui Liu, Thermodynamic modeling of the Hf–Si–O system, Calphad 30, 375-386 (2006).","container":"Calphad","doi":"10.1016/j.calphad.2006.08.006","doi_url":"https://doi.org/10.1016/j.calphad.2006.08.006","id":"doi:10.1016/j.calphad.2006.08.006","kind":"corpus_paper","metadata_source":"crossref","pdf_sha256_prefix":"153049350e51b7d8","roles":["reporting_paper"],"source_kinds":["journal_article"],"title":"Thermodynamic modeling of the Hf–Si–O system","year":2006}},"part":1,"parts":1,"records":[{"calculation_settings":{"relaxation":"FR","supercell":"Hf 8, O 6, Va 18 atoms"},"chemical_system":"HF-O","conditions":{"kind":"not_applicable_own_calculation"},"evidence_class":"dft","flags":{"calphad_check":"not_available","espei_certified":false,"espei_ready":false,"extraction_accepted":false,"gate_failures":["table_unit_scale_suspect","state_phases_missing","misread_on_page"],"magnitude_suspect":true,"review_state":"extracted","specification_gaps":["state:composition"],"state_fully_specified":false},"fold_lpo":4,"fold_lso":4,"gate_failures":[{"code":"table_unit_scale_suspect","detail":"8 of 8 HM_FORM values of this table are out of range and all fall in range x0.001 (J/kJ scale)","effect":"not_accepted","gate":"G2","visual_check":{"checked":"2026-10-23","image_sha256":"13e499f7d00d6f73972c2e4880bdd3ada9ca3617789f8dd9f30c18a103c9576f","page":7,"pdf_sha256_prefix":"153049350e51b7d8","seen":"Table 7 β-Hf SQS: header 'Total energy (eV/atom)' -9.9280, -9.0165, -10.0088, -8.5718 (= value_printed). 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