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Flags such as accepted and ESPEI-ready record screening results, not certification; known issues are listed in the release notes.", "title": "ORCHID-Registry: phase registry of binary systems", "doi": "10.5281/zenodo.23735970", "url": "https://doi.org/10.5281/zenodo.23735970", "text": "R. Arróyave, J. Saal, D. Shin, ORCHID-Registry: phase registry of binary systems (version 2026.10; Version 1, machine-extracted), Zenodo (2026). https://doi.org/10.5281/zenodo.23735970", "bibtex": "@misc{orchid_phase_registry_2026,\n author = {Arr{\\'o}yave, Raymundo and Saal, James and Shin, Dongwon},\n title = {{ORCHID-Registry: phase registry of binary systems}},\n version = {2026.10},\n publisher = {Zenodo},\n year = {2026},\n doi = {10.5281/zenodo.23735970},\n url = {https://doi.org/10.5281/zenodo.23735970},\n note = {Version 1, machine-extracted}\n}", "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)" ], "part_of": { "title": "ORCHID data: umbrella record of the ORCHID datasets", "doi": "10.5281/zenodo.23736065", "url": "https://doi.org/10.5281/zenodo.23736065", "text": "R. Arróyave, J. Saal, D. 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Hallstedt, The SGTE collection of binary datasets, Calphad 89 (2025) 102833, supplementary crystallographic table (mmc2)", "doi": "10.1016/j.calphad.2025.102833", "license": "CC BY 4.0", "rows": 1 } ], "verification": "in Hallstedt 2025 mmc2", "registry_phases": 1 }, { "id": "st:pbcl2-pauling-file-includes-both-co2si-c37-and-pbcl2-c23-as-structure-types-co2si-is-sometimes-called-anti-pbcl2-the-structures-differ-in-a-b-ratio-for-1-25-a-b-1-40-we-have-co2si-and-for-1-50-a-b-1-90-we-have-pbcl2-however-there-is-not-really-a-clear-distinction-e-g-autm2-with-a-b-1-44-is-listed-as-co2si-type-and-auyb2-with-a-b-1-71-if-correct-is-listed-as-pbcl2-type-this-makes-no-sense-i-list-both-under-co2si-with-sb-c37-hgcl2-with-sb-c25-also-has-the-same-space-group-and-wyckoff-positions", "prototype": "PbCl2", "prototype_spellings": [], "strukturbericht": null, "pearson": "Pauling file includes both Co2Si (C37) and PbCl2 (C23) as structure types. Co2Si is sometimes called anti-PbCl2. 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I fail to see the point of this since they all have the same symmetry and the same Wyckoff positions occupied. It would be like having several different structure types for sigma phase, depending on details in the sublattice occupation.", "space_group": null, "stoichiometry": null, "sources": [ { "citation": "B. Hallstedt, The SGTE collection of binary datasets, Calphad 89 (2025) 102833, supplementary crystallographic table (mmc2)", "doi": "10.1016/j.calphad.2025.102833", "license": "CC BY 4.0", "rows": 1 } ], "verification": "in Hallstedt 2025 mmc2", "registry_phases": 0 }, { "id": "st:alpha-pu-mp16", "prototype": "alpha-Pu", "prototype_spellings": [], "strukturbericht": null, "pearson": "mP16", "space_group": { "number": 11, "symbol": "P2_1/m" }, "stoichiometry": null, "sources": [ { "citation": "B. 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Hallstedt, The SGTE collection of binary datasets, Calphad 89 (2025) 102833, supplementary crystallographic table (mmc2)", "doi": "10.1016/j.calphad.2025.102833", "license": "CC BY 4.0", "rows": 3 } ], "verification": "in Hallstedt 2025 mmc2", "registry_phases": 0 }, { "id": "st:alpha-sm-cdcl2-the-alpha-sm-structure-has-been-assigned-the-strukturbericht-c19-that-originally-was-assigned-to-cdcl2-indicating-that-alpha-sm-and-cdcl2-have-the-same-structure-this-does-not-seem-approprite-alpha-sm-is-a-stacking-variant-of-close-packed-atom-layers-belonging-to-the-family-fcc-hcp-and-dhcp-whereas-cdcl2-is-a-strongly-ordered-ionic-structure-with-cl-forming-a-close-packed-structure-and-cd-as-ordered-interstitials-the-c19-strukturbericht-will-be-removed-from-alpha-sm", "prototype": "alpha-Sm, CdCl2", "prototype_spellings": [], "strukturbericht": null, "pearson": "The alpha-Sm structure has been assigned the Strukturbericht C19 that originally was assigned to CdCl2, indicating that alpha-Sm and CdCl2 have the same structure. This does not seem approprite. Alpha-Sm is a stacking variant of close packed atom layers, belonging to the family fcc, hcp and dhcp, whereas CdCl2 is a strongly ordered ionic structure with Cl forming a close packed structure and Cd as ordered interstitials. The C19 Strukturbericht will be removed from alpha-Sm.", "space_group": null, "stoichiometry": null, "sources": [ { "citation": "B. Hallstedt, The SGTE collection of binary datasets, Calphad 89 (2025) 102833, supplementary crystallographic table (mmc2)", "doi": "10.1016/j.calphad.2025.102833", "license": "CC BY 4.0", "rows": 1 } ], "verification": "in Hallstedt 2025 mmc2", "registry_phases": 0 }, { "id": "st:amga-alpha", "prototype": "(AmGa-alpha)", "prototype_spellings": [], "strukturbericht": null, "pearson": null, "space_group": null, "stoichiometry": null, "sources": [ { "citation": "B. Hallstedt, The SGTE collection of binary datasets, Calphad 89 (2025) 102833, supplementary crystallographic table (mmc2)", "doi": "10.1016/j.calphad.2025.102833", "license": "CC BY 4.0", "rows": 1 } ], "verification": "in Hallstedt 2025 mmc2", "registry_phases": 0 }, { "id": "st:amga-beta", "prototype": "(AmGa-beta)", "prototype_spellings": [], "strukturbericht": null, "pearson": null, "space_group": null, "stoichiometry": null, "sources": [ { "citation": "B. Hallstedt, The SGTE collection of binary datasets, Calphad 89 (2025) 102833, supplementary crystallographic table (mmc2)", "doi": "10.1016/j.calphad.2025.102833", "license": "CC BY 4.0", "rows": 1 } ], "verification": "in Hallstedt 2025 mmc2", "registry_phases": 0 }, { "id": "st:amga3-alpha", "prototype": "(AmGa3-alpha)", "prototype_spellings": [], "strukturbericht": null, "pearson": null, "space_group": null, "stoichiometry": null, "sources": [ { "citation": "B. Hallstedt, The SGTE collection of binary datasets, Calphad 89 (2025) 102833, supplementary crystallographic table (mmc2)", "doi": "10.1016/j.calphad.2025.102833", "license": "CC BY 4.0", "rows": 1 } ], "verification": "in Hallstedt 2025 mmc2", "registry_phases": 0 }, { "id": "st:amga3-beta", "prototype": "(AmGa3-beta)", "prototype_spellings": [], "strukturbericht": null, "pearson": null, "space_group": null, "stoichiometry": null, "sources": [ { "citation": "B. Hallstedt, The SGTE collection of binary datasets, Calphad 89 (2025) 102833, supplementary crystallographic table (mmc2)", "doi": "10.1016/j.calphad.2025.102833", "license": "CC BY 4.0", "rows": 1 } ], "verification": "in Hallstedt 2025 mmc2", "registry_phases": 0 }, { "id": "st:amga3-gamma", "prototype": "(AmGa3-gamma)", "prototype_spellings": [], "strukturbericht": null, "pearson": null, "space_group": null, "stoichiometry": null, "sources": [ { "citation": "B. Hallstedt, The SGTE collection of binary datasets, Calphad 89 (2025) 102833, supplementary crystallographic table (mmc2)", "doi": "10.1016/j.calphad.2025.102833", "license": "CC BY 4.0", "rows": 1 } ], "verification": "in Hallstedt 2025 mmc2", "registry_phases": 0 }, { "id": "st:a-prototype-in-parenthesis-means-that-the-crystal-structure-of-the-phase-has-not-been-sufficently-determined-to-assign-it-to-a-prototype", "prototype": "A prototype in parenthesis means that the crystal structure of the phase has not been sufficently determined to assign it to a prototype.", "prototype_spellings": [], "strukturbericht": null, "pearson": null, "space_group": null, "stoichiometry": null, "sources": [ { "citation": "B. 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Hallstedt, The SGTE collection of binary datasets, Calphad 89 (2025) 102833, supplementary crystallographic table (mmc2)", "doi": "10.1016/j.calphad.2025.102833", "license": "CC BY 4.0", "rows": 1 } ], "verification": "in Hallstedt 2025 mmc2", "registry_phases": 0 }, { "id": "st:beta-alb12-op384", "prototype": "beta-AlB12", "prototype_spellings": [], "strukturbericht": null, "pearson": "oP384", "space_group": { "number": 19, "symbol": "P2_12_12_1" }, "stoichiometry": "Al1B12", "sources": [ { "citation": "B. Hallstedt, The SGTE collection of binary datasets, Calphad 89 (2025) 102833, supplementary crystallographic table (mmc2)", "doi": "10.1016/j.calphad.2025.102833", "license": "CC BY 4.0", "rows": 1 } ], "verification": "in Hallstedt 2025 mmc2", "registry_phases": 1 }, { "id": "st:beta-bipd-oc32", "prototype": "beta-BiPd", "prototype_spellings": [], "strukturbericht": null, "pearson": "oC32", "space_group": { "number": 36, "symbol": "Cmc2_1" }, "stoichiometry": "Bi1Pd1", "sources": [ { "citation": "B. Hallstedt, The SGTE collection of binary datasets, Calphad 89 (2025) 102833, supplementary crystallographic table (mmc2)", "doi": "10.1016/j.calphad.2025.102833", "license": "CC BY 4.0", "rows": 1 } ], "verification": "in Hallstedt 2025 mmc2", "registry_phases": 0 }, { "id": "st:beta-bipd3", "prototype": "(beta-BiPd3)", "prototype_spellings": [], "strukturbericht": null, "pearson": null, "space_group": null, "stoichiometry": "Bi1Pd3", "sources": [ { "citation": "B. 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Hallstedt, The SGTE collection of binary datasets, Calphad 89 (2025) 102833, supplementary crystallographic table (mmc2)", "doi": "10.1016/j.calphad.2025.102833", "license": "CC BY 4.0", "rows": 1 } ], "verification": "in Hallstedt 2025 mmc2", "registry_phases": 1 }, { "id": "st:beta-ga2se3-mc20", "prototype": "beta-Ga2Se3", "prototype_spellings": [], "strukturbericht": null, "pearson": "mC20", "space_group": { "number": 9, "symbol": "Cc" }, "stoichiometry": "Ga2Se3", "sources": [ { "citation": "B. Hallstedt, The SGTE collection of binary datasets, Calphad 89 (2025) 102833, supplementary crystallographic table (mmc2)", "doi": "10.1016/j.calphad.2025.102833", "license": "CC BY 4.0", "rows": 2 } ], "verification": "in Hallstedt 2025 mmc2", "registry_phases": 2 }, { "id": "st:beta-gd2ge3", "prototype": "(beta-Gd2Ge3)", "prototype_spellings": [], "strukturbericht": null, "pearson": null, "space_group": null, "stoichiometry": "Gd2Ge3", "sources": [ { "citation": "B. 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